# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a12103d5-2189-4fee-ae30-2e81b34c2ae4/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 BaLi2Ti6O14 / Cmce (64) / materials id 558083](https://mdr.nims.go.jp/datasets/2d699ff2-f811-496e-be5a-528cf88de48d) ## 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: "Cmce" number: 64 Hall_symbol: "-C 2bc 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.280850409999999, -5.630225950000000, 0.000000000000000 ] # a - [ 8.280850409999999, 5.630225950000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.526293330000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.855536960000000, 0.144463040000000, 0.621267330000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.355536960000000, 0.644463040000000, 0.878732670000000 ] mass: 137.327000 - symbol: Ba # 3 coordinates: [ 0.644463040000000, 0.355536960000000, 0.121267330000000 ] mass: 137.327000 - symbol: Ba # 4 coordinates: [ 0.144463040000000, 0.855536960000000, 0.378732670000000 ] mass: 137.327000 - symbol: Li # 5 coordinates: [ 0.433793990000000, 0.944024650000000, 0.878697010000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.933793990000000, 0.444024650000000, 0.621302990000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.444024650000000, 0.933793990000000, 0.378697010000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.555975350000000, 0.066206010000000, 0.621302990000000 ] mass: 6.941000 - symbol: Li # 9 coordinates: [ 0.944024650000000, 0.433793990000000, 0.121302990000000 ] mass: 6.941000 - symbol: Li # 10 coordinates: [ 0.566206010000000, 0.055975350000000, 0.121302990000000 ] mass: 6.941000 - symbol: Li # 11 coordinates: [ 0.066206010000000, 0.555975350000000, 0.378697010000000 ] mass: 6.941000 - symbol: Li # 12 coordinates: [ 0.055975350000000, 0.566206010000000, 0.878697010000000 ] mass: 6.941000 - symbol: Ti # 13 coordinates: [ 0.261198280000000, 0.261198280000000, 0.000000000000000 ] mass: 47.867000 - symbol: Ti # 14 coordinates: [ 0.018113750000000, 0.760060630000000, 0.641075510000000 ] mass: 47.867000 - symbol: Ti # 15 coordinates: [ 0.243134020000000, 0.256865980000000, 0.750000000000000 ] mass: 47.867000 - symbol: Ti # 16 coordinates: [ 0.981886250000000, 0.239939370000000, 0.358924490000000 ] mass: 47.867000 - symbol: Ti # 17 coordinates: [ 0.725637110000000, 0.493137410000000, 0.385329070000000 ] mass: 47.867000 - symbol: Ti # 18 coordinates: [ 0.756865980000000, 0.743134020000000, 0.250000000000000 ] mass: 47.867000 - symbol: Ti # 19 coordinates: [ 0.260060630000000, 0.518113750000000, 0.141075510000000 ] mass: 47.867000 - symbol: Ti # 20 coordinates: [ 0.256865980000000, 0.243134020000000, 0.250000000000000 ] mass: 47.867000 - symbol: Ti # 21 coordinates: [ 0.739939370000000, 0.481886250000000, 0.858924490000000 ] mass: 47.867000 - symbol: Ti # 22 coordinates: [ 0.993137410000000, 0.225637110000000, 0.885329070000000 ] mass: 47.867000 - symbol: Ti # 23 coordinates: [ 0.238801720000000, 0.238801720000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 24 coordinates: [ 0.481886250000000, 0.739939370000000, 0.141075510000000 ] mass: 47.867000 - symbol: Ti # 25 coordinates: [ 0.774362890000000, 0.006862590000000, 0.885329070000000 ] mass: 47.867000 - symbol: Ti # 26 coordinates: [ 0.493137410000000, 0.725637110000000, 0.614670930000000 ] mass: 47.867000 - symbol: Ti # 27 coordinates: [ 0.274362890000000, 0.506862590000000, 0.614670930000000 ] mass: 47.867000 - symbol: Ti # 28 coordinates: [ 0.760060630000000, 0.018113750000000, 0.358924490000000 ] mass: 47.867000 - symbol: Ti # 29 coordinates: [ 0.006862590000000, 0.774362890000000, 0.114670930000000 ] mass: 47.867000 - symbol: Ti # 30 coordinates: [ 0.761198280000000, 0.761198280000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 31 coordinates: [ 0.239939370000000, 0.981886250000000, 0.641075510000000 ] mass: 47.867000 - symbol: Ti # 32 coordinates: [ 0.506862590000000, 0.274362890000000, 0.385329070000000 ] mass: 47.867000 - symbol: Ti # 33 coordinates: [ 0.225637110000000, 0.993137410000000, 0.114670930000000 ] mass: 47.867000 - symbol: Ti # 34 coordinates: [ 0.743134020000000, 0.756865980000000, 0.750000000000000 ] mass: 47.867000 - symbol: Ti # 35 coordinates: [ 0.518113750000000, 0.260060630000000, 0.858924490000000 ] mass: 47.867000 - symbol: Ti # 36 coordinates: [ 0.738801720000000, 0.738801720000000, 0.000000000000000 ] mass: 47.867000 - symbol: O # 37 coordinates: [ 0.348110970000000, 0.121175090000000, 0.627795640000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.595938560000000, 0.404061440000000, 0.874323840000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.633860020000000, 0.633860020000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.151889030000000, 0.378824910000000, 0.127795640000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.630676860000000, 0.141172640000000, 0.260193820000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.364749120000000, 0.862442060000000, 0.018536950000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.634185110000000, 0.629642010000000, 0.250963310000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.646181970000000, 0.876866970000000, 0.877982160000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.595709720000000, 0.404290280000000, 0.369306580000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.376866970000000, 0.146181970000000, 0.377982160000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.904290280000000, 0.095709720000000, 0.869306580000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.135250880000000, 0.637557940000000, 0.518536950000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.134185110000000, 0.129642010000000, 0.249036690000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.865814890000000, 0.870357990000000, 0.750963310000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.629642010000000, 0.634185110000000, 0.749036690000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.366139980000000, 0.366139980000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.141172640000000, 0.630676860000000, 0.739806180000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.641172640000000, 0.130676860000000, 0.760193820000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.862442060000000, 0.364749120000000, 0.981463050000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.872506030000000, 0.872506030000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.123133030000000, 0.353818030000000, 0.877982160000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.627493970000000, 0.627493970000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.651889030000000, 0.878824910000000, 0.372204360000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.621175090000000, 0.848110970000000, 0.127795640000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.358827360000000, 0.869323140000000, 0.239806180000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.864749120000000, 0.362442060000000, 0.481463050000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.848110970000000, 0.621175090000000, 0.872204360000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.635250880000000, 0.137557940000000, 0.981463050000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.378824910000000, 0.151889030000000, 0.872204360000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.870357990000000, 0.865814890000000, 0.249036690000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.866139980000000, 0.866139980000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.404290280000000, 0.595709720000000, 0.630693420000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.095709720000000, 0.904290280000000, 0.130693420000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.137557940000000, 0.635250880000000, 0.018536950000000 ] mass: 15.999400 - symbol: O # 71 coordinates: [ 0.876866970000000, 0.646181970000000, 0.122017840000000 ] mass: 15.999400 - symbol: O # 72 coordinates: [ 0.146181970000000, 0.376866970000000, 0.622017840000000 ] mass: 15.999400 - symbol: O # 73 coordinates: [ 0.858827360000000, 0.369323140000000, 0.260193820000000 ] mass: 15.999400 - symbol: O # 74 coordinates: [ 0.370357990000000, 0.365814890000000, 0.250963310000000 ] mass: 15.999400 - symbol: O # 75 coordinates: [ 0.121175090000000, 0.348110970000000, 0.372204360000000 ] mass: 15.999400 - symbol: O # 76 coordinates: [ 0.353818030000000, 0.123133030000000, 0.122017840000000 ] mass: 15.999400 - symbol: O # 77 coordinates: [ 0.127493970000000, 0.127493970000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 78 coordinates: [ 0.372506030000000, 0.372506030000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 79 coordinates: [ 0.362442060000000, 0.864749120000000, 0.518536950000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.853818030000000, 0.623133030000000, 0.377982160000000 ] mass: 15.999400 - symbol: O # 81 coordinates: [ 0.869323140000000, 0.358827360000000, 0.760193820000000 ] mass: 15.999400 - symbol: O # 82 coordinates: [ 0.404061440000000, 0.595938560000000, 0.125676160000000 ] mass: 15.999400 - symbol: O # 83 coordinates: [ 0.095938560000000, 0.904061440000000, 0.625676160000000 ] mass: 15.999400 - symbol: O # 84 coordinates: [ 0.133860020000000, 0.133860020000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 85 coordinates: [ 0.365814890000000, 0.370357990000000, 0.749036690000000 ] mass: 15.999400 - symbol: O # 86 coordinates: [ 0.904061440000000, 0.095938560000000, 0.374323840000000 ] mass: 15.999400 - symbol: O # 87 coordinates: [ 0.369323140000000, 0.858827360000000, 0.739806180000000 ] mass: 15.999400 - symbol: O # 88 coordinates: [ 0.129642010000000, 0.134185110000000, 0.750963310000000 ] mass: 15.999400 - symbol: O # 89 coordinates: [ 0.878824910000000, 0.651889030000000, 0.627795640000000 ] mass: 15.999400 - symbol: O # 90 coordinates: [ 0.637557940000000, 0.135250880000000, 0.481463050000000 ] mass: 15.999400 - symbol: O # 91 coordinates: [ 0.130676860000000, 0.641172640000000, 0.239806180000000 ] mass: 15.999400 - symbol: O # 92 coordinates: [ 0.623133030000000, 0.853818030000000, 0.622017840000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.060380271982235, -0.088806382628392, 0.000000000000000 ] # a* - [ 0.060380271982235, 0.088806382628392, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.086758159919222 ] # c*unit_cell: lattice: - [ 16.561700819999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.260451900000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.526293330000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.144463040000000, 0.621267330000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.000000000000000, 0.644463040000000, 0.878732670000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.000000000000000, 0.355536960000000, 0.121267330000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.000000000000000, 0.855536960000000, 0.378732670000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.500000000000000, 0.644463040000000, 0.621267330000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 6 coordinates: [ 0.500000000000000, 0.144463040000000, 0.878732670000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 7 coordinates: [ 0.500000000000000, 0.855536960000000, 0.121267330000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 8 coordinates: [ 0.500000000000000, 0.355536960000000, 0.378732670000000 ] mass: 137.327000 reduced_to: 4 - symbol: Li # 9 coordinates: [ 0.188909320000000, 0.755115330000000, 0.878697010000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.188909320000000, 0.255115330000000, 0.621302990000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.188909320000000, 0.744884670000000, 0.378697010000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.811090680000000, 0.255115330000000, 0.621302990000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 13 coordinates: [ 0.188909320000000, 0.244884670000000, 0.121302990000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.811090680000000, 0.244884670000000, 0.121302990000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 15 coordinates: [ 0.811090680000000, 0.744884670000000, 0.378697010000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 16 coordinates: [ 0.811090680000000, 0.755115330000000, 0.878697010000000 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 17 coordinates: [ 0.688909320000000, 0.255115330000000, 0.878697010000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 18 coordinates: [ 0.688909320000000, 0.755115330000000, 0.621302990000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 19 coordinates: [ 0.688909320000000, 0.244884670000000, 0.378697010000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 20 coordinates: [ 0.311090680000000, 0.755115330000000, 0.621302990000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 21 coordinates: [ 0.688909320000000, 0.744884670000000, 0.121302990000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 22 coordinates: [ 0.311090680000000, 0.744884670000000, 0.121302990000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 23 coordinates: [ 0.311090680000000, 0.244884670000000, 0.378697010000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 24 coordinates: [ 0.311090680000000, 0.255115330000000, 0.878697010000000 ] mass: 6.941000 reduced_to: 16 - symbol: Ti # 25 coordinates: [ 0.761198280000000, 0.500000000000000, 0.000000000000000 ] mass: 47.867000 reduced_to: 25 - symbol: Ti # 26 coordinates: [ 0.889087190000000, 0.870973440000000, 0.641075510000000 ] mass: 47.867000 reduced_to: 26 - symbol: Ti # 27 coordinates: [ 0.750000000000000, 0.506865980000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 27 - symbol: Ti # 28 coordinates: [ 0.110912810000000, 0.129026560000000, 0.358924490000000 ] mass: 47.867000 reduced_to: 28 - symbol: Ti # 29 coordinates: [ 0.109387260000000, 0.383750150000000, 0.385329070000000 ] mass: 47.867000 reduced_to: 29 - symbol: Ti # 30 coordinates: [ 0.250000000000000, 0.493134020000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 30 - symbol: Ti # 31 coordinates: [ 0.889087190000000, 0.629026560000000, 0.141075510000000 ] mass: 47.867000 reduced_to: 31 - symbol: Ti # 32 coordinates: [ 0.750000000000000, 0.493134020000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 32 - symbol: Ti # 33 coordinates: [ 0.110912810000000, 0.370973440000000, 0.858924490000000 ] mass: 47.867000 reduced_to: 33 - symbol: Ti # 34 coordinates: [ 0.109387260000000, 0.116249850000000, 0.885329070000000 ] mass: 47.867000 reduced_to: 34 - symbol: Ti # 35 coordinates: [ 0.738801720000000, 0.500000000000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 35 - symbol: Ti # 36 coordinates: [ 0.110912810000000, 0.629026560000000, 0.141075510000000 ] mass: 47.867000 reduced_to: 36 - symbol: Ti # 37 coordinates: [ 0.890612740000000, 0.116249850000000, 0.885329070000000 ] mass: 47.867000 reduced_to: 37 - symbol: Ti # 38 coordinates: [ 0.109387260000000, 0.616249850000000, 0.614670930000000 ] mass: 47.867000 reduced_to: 38 - symbol: Ti # 39 coordinates: [ 0.890612740000000, 0.616249850000000, 0.614670930000000 ] mass: 47.867000 reduced_to: 39 - symbol: Ti # 40 coordinates: [ 0.889087190000000, 0.129026560000000, 0.358924490000000 ] mass: 47.867000 reduced_to: 40 - symbol: Ti # 41 coordinates: [ 0.890612740000000, 0.883750150000000, 0.114670930000000 ] mass: 47.867000 reduced_to: 41 - symbol: Ti # 42 coordinates: [ 0.261198280000000, 0.500000000000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 42 - symbol: Ti # 43 coordinates: [ 0.110912810000000, 0.870973440000000, 0.641075510000000 ] mass: 47.867000 reduced_to: 43 - symbol: Ti # 44 coordinates: [ 0.890612740000000, 0.383750150000000, 0.385329070000000 ] mass: 47.867000 reduced_to: 44 - symbol: Ti # 45 coordinates: [ 0.109387260000000, 0.883750150000000, 0.114670930000000 ] mass: 47.867000 reduced_to: 45 - symbol: Ti # 46 coordinates: [ 0.250000000000000, 0.506865980000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 46 - symbol: Ti # 47 coordinates: [ 0.889087190000000, 0.370973440000000, 0.858924490000000 ] mass: 47.867000 reduced_to: 47 - symbol: Ti # 48 coordinates: [ 0.238801720000000, 0.500000000000000, 0.000000000000000 ] mass: 47.867000 reduced_to: 48 - symbol: Ti # 49 coordinates: [ 0.261198280000000, 0.000000000000000, 0.000000000000000 ] mass: 47.867000 reduced_to: 25 - symbol: Ti # 50 coordinates: [ 0.389087190000000, 0.370973440000000, 0.641075510000000 ] mass: 47.867000 reduced_to: 26 - symbol: Ti # 51 coordinates: [ 0.250000000000000, 0.006865980000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 27 - symbol: Ti # 52 coordinates: [ 0.610912810000000, 0.629026560000000, 0.358924490000000 ] mass: 47.867000 reduced_to: 28 - symbol: Ti # 53 coordinates: [ 0.609387260000000, 0.883750150000000, 0.385329070000000 ] mass: 47.867000 reduced_to: 29 - symbol: Ti # 54 coordinates: [ 0.750000000000000, 0.993134020000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 30 - symbol: Ti # 55 coordinates: [ 0.389087190000000, 0.129026560000000, 0.141075510000000 ] mass: 47.867000 reduced_to: 31 - symbol: Ti # 56 coordinates: [ 0.250000000000000, 0.993134020000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 32 - symbol: Ti # 57 coordinates: [ 0.610912810000000, 0.870973440000000, 0.858924490000000 ] mass: 47.867000 reduced_to: 33 - symbol: Ti # 58 coordinates: [ 0.609387260000000, 0.616249850000000, 0.885329070000000 ] mass: 47.867000 reduced_to: 34 - symbol: Ti # 59 coordinates: [ 0.238801720000000, 0.000000000000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 35 - symbol: Ti # 60 coordinates: [ 0.610912810000000, 0.129026560000000, 0.141075510000000 ] mass: 47.867000 reduced_to: 36 - symbol: Ti # 61 coordinates: [ 0.390612740000000, 0.616249850000000, 0.885329070000000 ] mass: 47.867000 reduced_to: 37 - symbol: Ti # 62 coordinates: [ 0.609387260000000, 0.116249850000000, 0.614670930000000 ] mass: 47.867000 reduced_to: 38 - symbol: Ti # 63 coordinates: [ 0.390612740000000, 0.116249850000000, 0.614670930000000 ] mass: 47.867000 reduced_to: 39 - symbol: Ti # 64 coordinates: [ 0.389087190000000, 0.629026560000000, 0.358924490000000 ] mass: 47.867000 reduced_to: 40 - symbol: Ti # 65 coordinates: [ 0.390612740000000, 0.383750150000000, 0.114670930000000 ] mass: 47.867000 reduced_to: 41 - symbol: Ti # 66 coordinates: [ 0.761198280000000, 0.000000000000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 42 - symbol: Ti # 67 coordinates: [ 0.610912810000000, 0.370973440000000, 0.641075510000000 ] mass: 47.867000 reduced_to: 43 - symbol: Ti # 68 coordinates: [ 0.390612740000000, 0.883750150000000, 0.385329070000000 ] mass: 47.867000 reduced_to: 44 - symbol: Ti # 69 coordinates: [ 0.609387260000000, 0.383750150000000, 0.114670930000000 ] mass: 47.867000 reduced_to: 45 - symbol: Ti # 70 coordinates: [ 0.750000000000000, 0.006865980000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 46 - symbol: Ti # 71 coordinates: [ 0.389087190000000, 0.870973440000000, 0.858924490000000 ] mass: 47.867000 reduced_to: 47 - symbol: Ti # 72 coordinates: [ 0.738801720000000, 0.000000000000000, 0.000000000000000 ] mass: 47.867000 reduced_to: 48 - symbol: O # 73 coordinates: [ 0.734643030000000, 0.386532060000000, 0.627795640000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.000000000000000, 0.404061440000000, 0.874323840000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.133860020000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.765356970000000, 0.613467940000000, 0.127795640000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.885924750000000, 0.255247890000000, 0.260193820000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.113595590000000, 0.748846470000000, 0.018536950000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.131913560000000, 0.497728450000000, 0.250963310000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.261524470000000, 0.615342500000000, 0.877982160000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.000000000000000, 0.404290280000000, 0.369306580000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.761524470000000, 0.384657500000000, 0.377982160000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.000000000000000, 0.095709720000000, 0.869306580000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.886404410000000, 0.751153530000000, 0.518536950000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.631913560000000, 0.497728450000000, 0.249036690000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.368086440000000, 0.502271550000000, 0.750963310000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.131913560000000, 0.502271550000000, 0.749036690000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.866139980000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.885924750000000, 0.744752110000000, 0.739806180000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.885924750000000, 0.244752110000000, 0.760193820000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.113595590000000, 0.251153530000000, 0.981463050000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.372506030000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.738475530000000, 0.615342500000000, 0.877982160000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.127493970000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.265356970000000, 0.613467940000000, 0.372204360000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.234643030000000, 0.613467940000000, 0.127795640000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.114075250000000, 0.755247890000000, 0.239806180000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.113595590000000, 0.248846470000000, 0.481463050000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.234643030000000, 0.386532060000000, 0.872204360000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.886404410000000, 0.251153530000000, 0.981463050000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.765356970000000, 0.386532060000000, 0.872204360000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.368086440000000, 0.497728450000000, 0.249036690000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.366139980000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.000000000000000, 0.595709720000000, 0.630693420000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.000000000000000, 0.904290280000000, 0.130693420000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.886404410000000, 0.748846470000000, 0.018536950000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.261524470000000, 0.384657500000000, 0.122017840000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.761524470000000, 0.615342500000000, 0.622017840000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.114075250000000, 0.255247890000000, 0.260193820000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.868086440000000, 0.497728450000000, 0.250963310000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.734643030000000, 0.613467940000000, 0.372204360000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.738475530000000, 0.384657500000000, 0.122017840000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.627493970000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.872506030000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.113595590000000, 0.751153530000000, 0.518536950000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.238475530000000, 0.384657500000000, 0.377982160000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.114075250000000, 0.244752110000000, 0.760193820000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.000000000000000, 0.595938560000000, 0.125676160000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.000000000000000, 0.904061440000000, 0.625676160000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.633860020000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.868086440000000, 0.502271550000000, 0.749036690000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.000000000000000, 0.095938560000000, 0.374323840000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.114075250000000, 0.744752110000000, 0.739806180000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.631913560000000, 0.502271550000000, 0.750963310000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.265356970000000, 0.386532060000000, 0.627795640000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.886404410000000, 0.248846470000000, 0.481463050000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.885924750000000, 0.755247890000000, 0.239806180000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.238475530000000, 0.615342500000000, 0.622017840000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.234643030000000, 0.886532060000000, 0.627795640000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 130 coordinates: [ 0.500000000000000, 0.904061440000000, 0.874323840000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 131 coordinates: [ 0.633860020000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 132 coordinates: [ 0.265356970000000, 0.113467940000000, 0.127795640000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 133 coordinates: [ 0.385924750000000, 0.755247890000000, 0.260193820000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 134 coordinates: [ 0.613595590000000, 0.248846470000000, 0.018536950000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 135 coordinates: [ 0.631913560000000, 0.997728450000000, 0.250963310000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 136 coordinates: [ 0.761524470000000, 0.115342500000000, 0.877982160000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 137 coordinates: [ 0.500000000000000, 0.904290280000000, 0.369306580000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 138 coordinates: [ 0.261524470000000, 0.884657500000000, 0.377982160000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 139 coordinates: [ 0.500000000000000, 0.595709720000000, 0.869306580000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 140 coordinates: [ 0.386404410000000, 0.251153530000000, 0.518536950000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 141 coordinates: [ 0.131913560000000, 0.997728450000000, 0.249036690000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 142 coordinates: [ 0.868086440000000, 0.002271550000000, 0.750963310000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 143 coordinates: [ 0.631913560000000, 0.002271550000000, 0.749036690000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 144 coordinates: [ 0.366139980000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 145 coordinates: [ 0.385924750000000, 0.244752110000000, 0.739806180000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 146 coordinates: [ 0.385924750000000, 0.744752110000000, 0.760193820000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 147 coordinates: [ 0.613595590000000, 0.751153530000000, 0.981463050000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 148 coordinates: [ 0.872506030000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 149 coordinates: [ 0.238475530000000, 0.115342500000000, 0.877982160000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 150 coordinates: [ 0.627493970000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 151 coordinates: [ 0.765356970000000, 0.113467940000000, 0.372204360000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 152 coordinates: [ 0.734643030000000, 0.113467940000000, 0.127795640000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 153 coordinates: [ 0.614075250000000, 0.255247890000000, 0.239806180000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 154 coordinates: [ 0.613595590000000, 0.748846470000000, 0.481463050000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 155 coordinates: [ 0.734643030000000, 0.886532060000000, 0.872204360000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 156 coordinates: [ 0.386404410000000, 0.751153530000000, 0.981463050000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 157 coordinates: [ 0.265356970000000, 0.886532060000000, 0.872204360000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 158 coordinates: [ 0.868086440000000, 0.997728450000000, 0.249036690000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 159 coordinates: [ 0.866139980000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 160 coordinates: [ 0.500000000000000, 0.095709720000000, 0.630693420000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 161 coordinates: [ 0.500000000000000, 0.404290280000000, 0.130693420000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 162 coordinates: [ 0.386404410000000, 0.248846470000000, 0.018536950000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 163 coordinates: [ 0.761524470000000, 0.884657500000000, 0.122017840000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 164 coordinates: [ 0.261524470000000, 0.115342500000000, 0.622017840000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 165 coordinates: [ 0.614075250000000, 0.755247890000000, 0.260193820000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 166 coordinates: [ 0.368086440000000, 0.997728450000000, 0.250963310000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 167 coordinates: [ 0.234643030000000, 0.113467940000000, 0.372204360000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 168 coordinates: [ 0.238475530000000, 0.884657500000000, 0.122017840000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 169 coordinates: [ 0.127493970000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 170 coordinates: [ 0.372506030000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 171 coordinates: [ 0.613595590000000, 0.251153530000000, 0.518536950000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 172 coordinates: [ 0.738475530000000, 0.884657500000000, 0.377982160000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 173 coordinates: [ 0.614075250000000, 0.744752110000000, 0.760193820000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 174 coordinates: [ 0.500000000000000, 0.095938560000000, 0.125676160000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 175 coordinates: [ 0.500000000000000, 0.404061440000000, 0.625676160000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 176 coordinates: [ 0.133860020000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 177 coordinates: [ 0.368086440000000, 0.002271550000000, 0.749036690000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 178 coordinates: [ 0.500000000000000, 0.595938560000000, 0.374323840000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 179 coordinates: [ 0.614075250000000, 0.244752110000000, 0.739806180000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 180 coordinates: [ 0.131913560000000, 0.002271550000000, 0.750963310000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 181 coordinates: [ 0.765356970000000, 0.886532060000000, 0.627795640000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 182 coordinates: [ 0.386404410000000, 0.748846470000000, 0.481463050000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 183 coordinates: [ 0.385924750000000, 0.255247890000000, 0.239806180000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 184 coordinates: [ 0.738475530000000, 0.115342500000000, 0.622017840000000 ] mass: 15.999400 reduced_to: 128supercell: lattice: - [ 16.561700819999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.260451900000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.526293330000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.144463040000000, 0.621267330000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.000000000000000, 0.644463040000000, 0.878732670000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.000000000000000, 0.355536960000000, 0.121267330000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.000000000000000, 0.855536960000000, 0.378732670000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.500000000000000, 0.644463040000000, 0.621267330000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 6 coordinates: [ 0.500000000000000, 0.144463040000000, 0.878732670000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 7 coordinates: [ 0.500000000000000, 0.855536960000000, 0.121267330000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 8 coordinates: [ 0.500000000000000, 0.355536960000000, 0.378732670000000 ] mass: 137.327000 reduced_to: 4 - symbol: Li # 9 coordinates: [ 0.188909320000000, 0.755115330000000, 0.878697010000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.188909320000000, 0.255115330000000, 0.621302990000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.188909320000000, 0.744884670000000, 0.378697010000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.811090680000000, 0.255115330000000, 0.621302990000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 13 coordinates: [ 0.188909320000000, 0.244884670000000, 0.121302990000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.811090680000000, 0.244884670000000, 0.121302990000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 15 coordinates: [ 0.811090680000000, 0.744884670000000, 0.378697010000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 16 coordinates: [ 0.811090680000000, 0.755115330000000, 0.878697010000000 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 17 coordinates: [ 0.688909320000000, 0.255115330000000, 0.878697010000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 18 coordinates: [ 0.688909320000000, 0.755115330000000, 0.621302990000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 19 coordinates: [ 0.688909320000000, 0.244884670000000, 0.378697010000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 20 coordinates: [ 0.311090680000000, 0.755115330000000, 0.621302990000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 21 coordinates: [ 0.688909320000000, 0.744884670000000, 0.121302990000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 22 coordinates: [ 0.311090680000000, 0.744884670000000, 0.121302990000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 23 coordinates: [ 0.311090680000000, 0.244884670000000, 0.378697010000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 24 coordinates: [ 0.311090680000000, 0.255115330000000, 0.878697010000000 ] mass: 6.941000 reduced_to: 16 - symbol: Ti # 25 coordinates: [ 0.761198280000000, 0.500000000000000, 0.000000000000000 ] mass: 47.867000 reduced_to: 25 - symbol: Ti # 26 coordinates: [ 0.889087190000000, 0.870973440000000, 0.641075510000000 ] mass: 47.867000 reduced_to: 26 - symbol: Ti # 27 coordinates: [ 0.750000000000000, 0.506865980000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 27 - symbol: Ti # 28 coordinates: [ 0.110912810000000, 0.129026560000000, 0.358924490000000 ] mass: 47.867000 reduced_to: 28 - symbol: Ti # 29 coordinates: [ 0.109387260000000, 0.383750150000000, 0.385329070000000 ] mass: 47.867000 reduced_to: 29 - symbol: Ti # 30 coordinates: [ 0.250000000000000, 0.493134020000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 30 - symbol: Ti # 31 coordinates: [ 0.889087190000000, 0.629026560000000, 0.141075510000000 ] mass: 47.867000 reduced_to: 31 - symbol: Ti # 32 coordinates: [ 0.750000000000000, 0.493134020000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 32 - symbol: Ti # 33 coordinates: [ 0.110912810000000, 0.370973440000000, 0.858924490000000 ] mass: 47.867000 reduced_to: 33 - symbol: Ti # 34 coordinates: [ 0.109387260000000, 0.116249850000000, 0.885329070000000 ] mass: 47.867000 reduced_to: 34 - symbol: Ti # 35 coordinates: [ 0.738801720000000, 0.500000000000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 35 - symbol: Ti # 36 coordinates: [ 0.110912810000000, 0.629026560000000, 0.141075510000000 ] mass: 47.867000 reduced_to: 36 - symbol: Ti # 37 coordinates: [ 0.890612740000000, 0.116249850000000, 0.885329070000000 ] mass: 47.867000 reduced_to: 37 - symbol: Ti # 38 coordinates: [ 0.109387260000000, 0.616249850000000, 0.614670930000000 ] mass: 47.867000 reduced_to: 38 - symbol: Ti # 39 coordinates: [ 0.890612740000000, 0.616249850000000, 0.614670930000000 ] mass: 47.867000 reduced_to: 39 - symbol: Ti # 40 coordinates: [ 0.889087190000000, 0.129026560000000, 0.358924490000000 ] mass: 47.867000 reduced_to: 40 - symbol: Ti # 41 coordinates: [ 0.890612740000000, 0.883750150000000, 0.114670930000000 ] mass: 47.867000 reduced_to: 41 - symbol: Ti # 42 coordinates: [ 0.261198280000000, 0.500000000000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 42 - symbol: Ti # 43 coordinates: [ 0.110912810000000, 0.870973440000000, 0.641075510000000 ] mass: 47.867000 reduced_to: 43 - symbol: Ti # 44 coordinates: [ 0.890612740000000, 0.383750150000000, 0.385329070000000 ] mass: 47.867000 reduced_to: 44 - symbol: Ti # 45 coordinates: [ 0.109387260000000, 0.883750150000000, 0.114670930000000 ] mass: 47.867000 reduced_to: 45 - symbol: Ti # 46 coordinates: [ 0.250000000000000, 0.506865980000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 46 - symbol: Ti # 47 coordinates: [ 0.889087190000000, 0.370973440000000, 0.858924490000000 ] mass: 47.867000 reduced_to: 47 - symbol: Ti # 48 coordinates: [ 0.238801720000000, 0.500000000000000, 0.000000000000000 ] mass: 47.867000 reduced_to: 48 - symbol: Ti # 49 coordinates: [ 0.261198280000000, 0.000000000000000, 0.000000000000000 ] mass: 47.867000 reduced_to: 25 - symbol: Ti # 50 coordinates: [ 0.389087190000000, 0.370973440000000, 0.641075510000000 ] mass: 47.867000 reduced_to: 26 - symbol: Ti # 51 coordinates: [ 0.250000000000000, 0.006865980000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 27 - symbol: Ti # 52 coordinates: [ 0.610912810000000, 0.629026560000000, 0.358924490000000 ] mass: 47.867000 reduced_to: 28 - symbol: Ti # 53 coordinates: [ 0.609387260000000, 0.883750150000000, 0.385329070000000 ] mass: 47.867000 reduced_to: 29 - symbol: Ti # 54 coordinates: [ 0.750000000000000, 0.993134020000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 30 - symbol: Ti # 55 coordinates: [ 0.389087190000000, 0.129026560000000, 0.141075510000000 ] mass: 47.867000 reduced_to: 31 - symbol: Ti # 56 coordinates: [ 0.250000000000000, 0.993134020000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 32 - symbol: Ti # 57 coordinates: [ 0.610912810000000, 0.870973440000000, 0.858924490000000 ] mass: 47.867000 reduced_to: 33 - symbol: Ti # 58 coordinates: [ 0.609387260000000, 0.616249850000000, 0.885329070000000 ] mass: 47.867000 reduced_to: 34 - symbol: Ti # 59 coordinates: [ 0.238801720000000, 0.000000000000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 35 - symbol: Ti # 60 coordinates: [ 0.610912810000000, 0.129026560000000, 0.141075510000000 ] mass: 47.867000 reduced_to: 36 - symbol: Ti # 61 coordinates: [ 0.390612740000000, 0.616249850000000, 0.885329070000000 ] mass: 47.867000 reduced_to: 37 - symbol: Ti # 62 coordinates: [ 0.609387260000000, 0.116249850000000, 0.614670930000000 ] mass: 47.867000 reduced_to: 38 - symbol: Ti # 63 coordinates: [ 0.390612740000000, 0.116249850000000, 0.614670930000000 ] mass: 47.867000 reduced_to: 39 - symbol: Ti # 64 coordinates: [ 0.389087190000000, 0.629026560000000, 0.358924490000000 ] mass: 47.867000 reduced_to: 40 - symbol: Ti # 65 coordinates: [ 0.390612740000000, 0.383750150000000, 0.114670930000000 ] mass: 47.867000 reduced_to: 41 - symbol: Ti # 66 coordinates: [ 0.761198280000000, 0.000000000000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 42 - symbol: Ti # 67 coordinates: [ 0.610912810000000, 0.370973440000000, 0.641075510000000 ] mass: 47.867000 reduced_to: 43 - symbol: Ti # 68 coordinates: [ 0.390612740000000, 0.883750150000000, 0.385329070000000 ] mass: 47.867000 reduced_to: 44 - symbol: Ti # 69 coordinates: [ 0.609387260000000, 0.383750150000000, 0.114670930000000 ] mass: 47.867000 reduced_to: 45 - symbol: Ti # 70 coordinates: [ 0.750000000000000, 0.006865980000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 46 - symbol: Ti # 71 coordinates: [ 0.389087190000000, 0.870973440000000, 0.858924490000000 ] mass: 47.867000 reduced_to: 47 - symbol: Ti # 72 coordinates: [ 0.738801720000000, 0.000000000000000, 0.000000000000000 ] mass: 47.867000 reduced_to: 48 - symbol: O # 73 coordinates: [ 0.734643030000000, 0.386532060000000, 0.627795640000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.000000000000000, 0.404061440000000, 0.874323840000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.133860020000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.765356970000000, 0.613467940000000, 0.127795640000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.885924750000000, 0.255247890000000, 0.260193820000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.113595590000000, 0.748846470000000, 0.018536950000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.131913560000000, 0.497728450000000, 0.250963310000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.261524470000000, 0.615342500000000, 0.877982160000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.000000000000000, 0.404290280000000, 0.369306580000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.761524470000000, 0.384657500000000, 0.377982160000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.000000000000000, 0.095709720000000, 0.869306580000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.886404410000000, 0.751153530000000, 0.518536950000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.631913560000000, 0.497728450000000, 0.249036690000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.368086440000000, 0.502271550000000, 0.750963310000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.131913560000000, 0.502271550000000, 0.749036690000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.866139980000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.885924750000000, 0.744752110000000, 0.739806180000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.885924750000000, 0.244752110000000, 0.760193820000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.113595590000000, 0.251153530000000, 0.981463050000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.372506030000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.738475530000000, 0.615342500000000, 0.877982160000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.127493970000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.265356970000000, 0.613467940000000, 0.372204360000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.234643030000000, 0.613467940000000, 0.127795640000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.114075250000000, 0.755247890000000, 0.239806180000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.113595590000000, 0.248846470000000, 0.481463050000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.234643030000000, 0.386532060000000, 0.872204360000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.886404410000000, 0.251153530000000, 0.981463050000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.765356970000000, 0.386532060000000, 0.872204360000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.368086440000000, 0.497728450000000, 0.249036690000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.366139980000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.000000000000000, 0.595709720000000, 0.630693420000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.000000000000000, 0.904290280000000, 0.130693420000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.886404410000000, 0.748846470000000, 0.018536950000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.261524470000000, 0.384657500000000, 0.122017840000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.761524470000000, 0.615342500000000, 0.622017840000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.114075250000000, 0.255247890000000, 0.260193820000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.868086440000000, 0.497728450000000, 0.250963310000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.734643030000000, 0.613467940000000, 0.372204360000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.738475530000000, 0.384657500000000, 0.122017840000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.627493970000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.872506030000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.113595590000000, 0.751153530000000, 0.518536950000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.238475530000000, 0.384657500000000, 0.377982160000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.114075250000000, 0.244752110000000, 0.760193820000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.000000000000000, 0.595938560000000, 0.125676160000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.000000000000000, 0.904061440000000, 0.625676160000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.633860020000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.868086440000000, 0.502271550000000, 0.749036690000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.000000000000000, 0.095938560000000, 0.374323840000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.114075250000000, 0.744752110000000, 0.739806180000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.631913560000000, 0.502271550000000, 0.750963310000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.265356970000000, 0.386532060000000, 0.627795640000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.886404410000000, 0.248846470000000, 0.481463050000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.885924750000000, 0.755247890000000, 0.239806180000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.238475530000000, 0.615342500000000, 0.622017840000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.234643030000000, 0.886532060000000, 0.627795640000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 130 coordinates: [ 0.500000000000000, 0.904061440000000, 0.874323840000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 131 coordinates: [ 0.633860020000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 132 coordinates: [ 0.265356970000000, 0.113467940000000, 0.127795640000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 133 coordinates: [ 0.385924750000000, 0.755247890000000, 0.260193820000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 134 coordinates: [ 0.613595590000000, 0.248846470000000, 0.018536950000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 135 coordinates: [ 0.631913560000000, 0.997728450000000, 0.250963310000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 136 coordinates: [ 0.761524470000000, 0.115342500000000, 0.877982160000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 137 coordinates: [ 0.500000000000000, 0.904290280000000, 0.369306580000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 138 coordinates: [ 0.261524470000000, 0.884657500000000, 0.377982160000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 139 coordinates: [ 0.500000000000000, 0.595709720000000, 0.869306580000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 140 coordinates: [ 0.386404410000000, 0.251153530000000, 0.518536950000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 141 coordinates: [ 0.131913560000000, 0.997728450000000, 0.249036690000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 142 coordinates: [ 0.868086440000000, 0.002271550000000, 0.750963310000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 143 coordinates: [ 0.631913560000000, 0.002271550000000, 0.749036690000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 144 coordinates: [ 0.366139980000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 145 coordinates: [ 0.385924750000000, 0.244752110000000, 0.739806180000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 146 coordinates: [ 0.385924750000000, 0.744752110000000, 0.760193820000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 147 coordinates: [ 0.613595590000000, 0.751153530000000, 0.981463050000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 148 coordinates: [ 0.872506030000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 149 coordinates: [ 0.238475530000000, 0.115342500000000, 0.877982160000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 150 coordinates: [ 0.627493970000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 151 coordinates: [ 0.765356970000000, 0.113467940000000, 0.372204360000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 152 coordinates: [ 0.734643030000000, 0.113467940000000, 0.127795640000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 153 coordinates: [ 0.614075250000000, 0.255247890000000, 0.239806180000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 154 coordinates: [ 0.613595590000000, 0.748846470000000, 0.481463050000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 155 coordinates: [ 0.734643030000000, 0.886532060000000, 0.872204360000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 156 coordinates: [ 0.386404410000000, 0.751153530000000, 0.981463050000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 157 coordinates: [ 0.265356970000000, 0.886532060000000, 0.872204360000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 158 coordinates: [ 0.868086440000000, 0.997728450000000, 0.249036690000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 159 coordinates: [ 0.866139980000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 160 coordinates: [ 0.500000000000000, 0.095709720000000, 0.630693420000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 161 coordinates: [ 0.500000000000000, 0.404290280000000, 0.130693420000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 162 coordinates: [ 0.386404410000000, 0.248846470000000, 0.018536950000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 163 coordinates: [ 0.761524470000000, 0.884657500000000, 0.122017840000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 164 coordinates: [ 0.261524470000000, 0.115342500000000, 0.622017840000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 165 coordinates: [ 0.614075250000000, 0.755247890000000, 0.260193820000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 166 coordinates: [ 0.368086440000000, 0.997728450000000, 0.250963310000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 167 coordinates: [ 0.234643030000000, 0.113467940000000, 0.372204360000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 168 coordinates: [ 0.238475530000000, 0.884657500000000, 0.122017840000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 169 coordinates: [ 0.127493970000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 170 coordinates: [ 0.372506030000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 171 coordinates: [ 0.613595590000000, 0.251153530000000, 0.518536950000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 172 coordinates: [ 0.738475530000000, 0.884657500000000, 0.377982160000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 173 coordinates: [ 0.614075250000000, 0.744752110000000, 0.760193820000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 174 coordinates: [ 0.500000000000000, 0.095938560000000, 0.125676160000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 175 coordinates: [ 0.500000000000000, 0.404061440000000, 0.625676160000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 176 coordinates: [ 0.133860020000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 177 coordinates: [ 0.368086440000000, 0.002271550000000, 0.749036690000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 178 coordinates: [ 0.500000000000000, 0.595938560000000, 0.374323840000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 179 coordinates: [ 0.614075250000000, 0.244752110000000, 0.739806180000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 180 coordinates: [ 0.131913560000000, 0.002271550000000, 0.750963310000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 181 coordinates: [ 0.765356970000000, 0.886532060000000, 0.627795640000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 182 coordinates: [ 0.386404410000000, 0.748846470000000, 0.481463050000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 183 coordinates: [ 0.385924750000000, 0.255247890000000, 0.239806180000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 184 coordinates: [ 0.738475530000000, 0.115342500000000, 0.622017840000000 ] mass: 15.999400 reduced_to: 128displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0640748000000000, 0.0001807800000000, -0.0002291500000000 ] - [ -0.0018498900000000, 0.0004835800000000, 0.0002262200000000 ] - [ -0.0023633700000000, -0.0004846400000000, -0.0002272000000000 ] - [ -0.0030866100000000, -0.0004723200000000, 0.0002384900000000 ] - [ 0.0011025000000000, 0.0004816700000000, -0.0002276300000000 ] - [ 0.0013163000000000, 0.0004825200000000, 0.0002284400000000 ] - [ 0.0011009100000000, -0.0004824900000000, -0.0002272400000000 ] - [ 0.0010792700000000, -0.0004812500000000, 0.0002270600000000 ] - [ 0.0001050300000000, -0.0003855100000000, -0.0003832200000000 ] - [ 0.0077396000000000, 0.0038600600000000, 0.0006131000000000 ] - [ 0.0000403300000000, -0.0002353900000000, -0.0008392800000000 ] - [ 0.0074346600000000, -0.0039787000000000, 0.0006659000000000 ] - [ 0.0003907800000000, 0.0001789600000000, 0.0006370900000000 ] - [ 0.0001962000000000, 0.0000086800000000, 0.0006409800000000 ] - [ -0.0001553000000000, 0.0004218100000000, -0.0004381600000000 ] - [ -0.0000900000000000, 0.0001971900000000, -0.0008950800000000 ] - [ 0.0006319400000000, -0.0002510100000000, -0.0008081600000000 ] - [ 0.0005405700000000, 0.0002151300000000, 0.0006555700000000 ] - [ 0.0006527600000000, -0.0001435300000000, -0.0004630100000000 ] - [ 0.0003427400000000, -0.0004040400000000, 0.0006225900000000 ] - [ 0.0003324800000000, 0.0001874300000000, 0.0006384500000000 ] - [ 0.0001335800000000, 0.0000000100000000, 0.0006397400000000 ] - [ 0.0004552200000000, 0.0003318500000000, -0.0008164100000000 ] - [ 0.0004337000000000, 0.0000645700000000, -0.0004685700000000 ] - [ 0.0013485700000000, -0.0004371300000000, -0.0006945400000000 ] - [ -0.0042131000000000, 0.0124552000000000, 0.0004294400000000 ] - [ 0.0017622300000000, -0.0004337700000000, -0.0002399600000000 ] - [ -0.0024040300000000, -0.0044403000000000, -0.0143278600000000 ] - [ -0.0043723100000000, 0.0088815700000000, -0.0066246400000000 ] - [ 0.0009658300000000, -0.0000184500000000, -0.0004816800000000 ] - [ -0.0022575400000000, -0.0005705200000000, 0.0004510000000000 ] - [ 0.0009717400000000, -0.0007949200000000, 0.0004822000000000 ] - [ -0.0036503100000000, 0.0098518300000000, 0.0072589100000000 ] - [ -0.0034423500000000, -0.0037549800000000, 0.0128586100000000 ] - [ 0.0009865800000000, -0.0007195900000000, 0.0004339200000000 ] - [ -0.0018625700000000, 0.0003424200000000, -0.0001047000000000 ] - [ -0.0028933100000000, 0.0042882300000000, -0.0132166300000000 ] - [ -0.0034152800000000, 0.0006258100000000, 0.0005720900000000 ] - [ -0.0029259600000000, -0.0000620400000000, -0.0001544700000000 ] - [ -0.0027360900000000, 0.0041868800000000, 0.0139075900000000 ] - [ -0.0027094000000000, 0.0010544200000000, -0.0001899200000000 ] - [ 0.0020111000000000, 0.0007254900000000, -0.0004400600000000 ] - [ -0.0039148000000000, -0.0122802400000000, -0.0000892000000000 ] - [ -0.0038784700000000, -0.0094179900000000, 0.0061882500000000 ] - [ -0.0031951200000000, -0.0016050800000000, 0.0006066200000000 ] - [ 0.0017570300000000, 0.0012522300000000, 0.0002438400000000 ] - [ -0.0040338100000000, -0.0095964500000000, -0.0075782900000000 ] - [ 0.0003133100000000, 0.0004365300000000, 0.0006961400000000 ] - [ 0.0016405500000000, -0.0002953600000000, 0.0013239800000000 ] - [ 0.0022907000000000, 0.0004782500000000, 0.0000342400000000 ] - [ 0.0069979900000000, -0.0011324800000000, 0.0026495000000000 ] - [ 0.0020121500000000, -0.0000133300000000, -0.0001509500000000 ] - [ 0.0029863400000000, 0.0005857200000000, 0.0005821700000000 ] - [ 0.0011844400000000, -0.0000892300000000, 0.0019018000000000 ] - [ 0.0020163000000000, 0.0003738500000000, -0.0000285400000000 ] - [ 0.0011760900000000, -0.0007239800000000, -0.0019099800000000 ] - [ 0.0030575500000000, 0.0010533800000000, -0.0008768100000000 ] - [ 0.0017562500000000, 0.0003690600000000, -0.0002212400000000 ] - [ 0.0081392700000000, -0.0018876900000000, -0.0021928500000000 ] - [ 0.0024134900000000, -0.0006042900000000, 0.0003745400000000 ] - [ 0.0022383800000000, 0.0001809100000000, -0.0001949700000000 ] - [ 0.0044371200000000, -0.0005237100000000, -0.0001082700000000 ] - [ 0.0049341400000000, 0.0010754600000000, 0.0005271800000000 ] - [ 0.0016120900000000, -0.0002199900000000, -0.0001964000000000 ] - [ 0.0020915500000000, -0.0002123200000000, 0.0003780000000000 ] - [ 0.0091353500000000, 0.0018622300000000, 0.0021661800000000 ] - [ 0.0026861900000000, -0.0002406500000000, 0.0003119600000000 ] - [ 0.0034716700000000, -0.0011398900000000, -0.0010032600000000 ] - [ 0.0016087800000000, -0.0003380800000000, 0.0000392800000000 ] - [ 0.0069771200000000, 0.0019227500000000, -0.0026205600000000 ] - [ 0.0026603300000000, -0.0008259500000000, 0.0005344100000000 ] - [ 0.0006182600000000, 0.0002944500000000, -0.0013177300000000 ] - [ -0.0016041100000000, 0.0009351300000000, -0.0000515900000000 ] - [ 0.0085864500000000, 0.0005614600000000, -0.0000712500000000 ] - [ 0.0001520100000000, -0.0017511500000000, -0.0006132200000000 ] - [ 0.0003098000000000, 0.0001727100000000, 0.0000880300000000 ] - [ 0.0007745200000000, 0.0005974300000000, -0.0023663100000000 ] - [ 0.0004675200000000, -0.0001562500000000, -0.0001165500000000 ] - [ 0.0003624200000000, -0.0010191200000000, 0.0015117100000000 ] - [ -0.0005959300000000, -0.0006211600000000, -0.0003878900000000 ] - [ 0.0089790300000000, 0.0003211600000000, -0.0000025000000000 ] - [ -0.0004649600000000, 0.0011095800000000, -0.0005050800000000 ] - [ 0.0119819500000000, -0.0003160400000000, 0.0000242500000000 ] - [ 0.0007700500000000, -0.0007642600000000, -0.0004482000000000 ] - [ -0.0003835400000000, 0.0002018700000000, -0.0001608000000000 ] - [ -0.0013383600000000, -0.0003413600000000, -0.0000097400000000 ] - [ -0.0000263800000000, -0.0018417500000000, 0.0002731100000000 ] - [ -0.0006046700000000, 0.0017468000000000, 0.0006135700000000 ] - [ 0.0008460900000000, -0.0012113300000000, 0.0006441800000000 ] - [ 0.0083857100000000, 0.0003558500000000, 0.0019832300000000 ] - [ 0.0006611900000000, 0.0002468900000000, -0.0021363700000000 ] - [ -0.0018099400000000, -0.0001280800000000, 0.0001258600000000 ] - [ -0.0006809000000000, -0.0001502700000000, 0.0002051500000000 ] - [ 0.0009326600000000, -0.0010064500000000, -0.0010269500000000 ] - [ -0.0004215900000000, -0.0003669800000000, 0.0002417800000000 ] - [ -0.0001448000000000, -0.0004773100000000, -0.0000978300000000 ] - [ 0.0003047700000000, -0.0003720400000000, 0.0000971600000000 ] - [ 0.0074493800000000, -0.0000154200000000, 0.0030391800000000 ] - [ -0.0009106200000000, -0.0005869700000000, -0.0004566400000000 ] - [ 0.0006062300000000, 0.0006456400000000, 0.0023941800000000 ] - [ -0.0004603700000000, 0.0008924100000000, 0.0004636100000000 ] - [ -0.0010903500000000, 0.0001897200000000, -0.0000629500000000 ] - [ -0.0009926900000000, 0.0000256200000000, -0.0000957400000000 ] - [ 0.0045684400000000, -0.0003220600000000, 0.0000010800000000 ] - [ 0.0035336600000000, 0.0003215800000000, 0.0000006300000000 ] - [ 0.0004106100000000, -0.0007295700000000, -0.0001441700000000 ] - [ -0.0005544200000000, 0.0003664300000000, 0.0000479400000000 ] - [ -0.0000026200000000, -0.0003038400000000, -0.0000299500000000 ] - [ 0.0003837600000000, -0.0014650800000000, 0.0020568900000000 ] - [ -0.0003501300000000, 0.0014086500000000, -0.0012856300000000 ] - [ -0.0008801900000000, 0.0000621900000000, -0.0002306900000000 ] - [ -0.0006396100000000, 0.0004053900000000, 0.0001336800000000 ] - [ -0.0002757300000000, 0.0001270000000000, -0.0001241900000000 ] - [ -0.0006075500000000, 0.0010050800000000, 0.0010253100000000 ] - [ 0.0008328500000000, 0.0016451700000000, 0.0001828900000000 ] - [ -0.0005435100000000, -0.0003361600000000, 0.0003259600000000 ] - [ 0.0082981500000000, 0.0007033900000000, -0.0020223800000000 ] - [ 0.0025997200000000, -0.0005618900000000, 0.0000722700000000 ] - [ 0.0104015700000000, 0.0005462900000000, 0.0000764000000000 ] - [ -0.0002421900000000, -0.0000244600000000, 0.0000947200000000 ] - [ -0.0007395100000000, 0.0014470900000000, -0.0004982100000000 ] - [ 0.0115620000000000, -0.0005546900000000, -0.0001005800000000 ] - [ 0.0004622100000000, 0.0020798300000000, -0.0003307600000000 ] - [ -0.0006316400000000, -0.0000506600000000, 0.0002325600000000 ] - [ -0.0011521800000000, -0.0006411100000000, 0.0000413800000000 ] - [ 0.0071205700000000, -0.0006915500000000, -0.0030160400000000 ] - [ 0.0006930100000000, -0.0005025000000000, 0.0002109300000000 ] - [ -0.0000822900000000, -0.0004707800000000, 0.0002112300000000 ] - [ -0.0006938000000000, 0.0014900200000000, -0.0004101200000000 ] - [ -0.0027891600000000, 0.0005626600000000, -0.0000725000000000 ] - [ -0.0019405700000000, -0.0003351300000000, -0.0003834100000000 ] - [ -0.0006199500000000, -0.0004349900000000, 0.0000836800000000 ] - [ -0.0002776600000000, -0.0002599800000000, -0.0000473600000000 ] - [ -0.0004545000000000, -0.0002664600000000, -0.0000712900000000 ] - [ -0.0008217100000000, 0.0002917900000000, -0.0001497200000000 ] - [ -0.0005674400000000, -0.0004703100000000, 0.0016132000000000 ] - [ -0.0031726900000000, 0.0003223800000000, -0.0000009400000000 ] - [ -0.0012420100000000, 0.0013078000000000, 0.0015532600000000 ] - [ -0.0022769000000000, -0.0003223300000000, -0.0000012700000000 ] - [ -0.0007296200000000, 0.0000678800000000, -0.0000968000000000 ] - [ 0.0006365100000000, 0.0015327100000000, 0.0013561300000000 ] - [ -0.0034084600000000, -0.0038149700000000, 0.0023311000000000 ] - [ -0.0021721500000000, -0.0006696800000000, 0.0003593000000000 ] - [ -0.0026957100000000, 0.0003377700000000, 0.0003866300000000 ] - [ -0.0005044400000000, 0.0001312600000000, 0.0001187000000000 ] - [ -0.0003114000000000, 0.0007813000000000, -0.0001946500000000 ] - [ -0.0004568800000000, 0.0001708500000000, 0.0002667900000000 ] - [ -0.0043662600000000, -0.0028600900000000, -0.0018801300000000 ] - [ -0.0006465800000000, -0.0003034800000000, -0.0018041200000000 ] - [ -0.0004630700000000, 0.0000312000000000, 0.0001776300000000 ] - [ -0.0004679400000000, -0.0000974000000000, -0.0019441200000000 ] - [ -0.0010781500000000, 0.0001290500000000, -0.0000943400000000 ] - [ -0.0006509700000000, -0.0002265900000000, 0.0000954700000000 ] - [ -0.0005010100000000, -0.0007218600000000, 0.0000612800000000 ] - [ -0.0015687500000000, -0.0006274700000000, 0.0012077500000000 ] - [ -0.0005118000000000, 0.0007158500000000, -0.0000055200000000 ] - [ -0.0011123800000000, 0.0009350600000000, -0.0012023100000000 ] - [ -0.0000821500000000, -0.0011440100000000, -0.0015799800000000 ] - [ -0.0001979800000000, -0.0014195300000000, 0.0017269400000000 ] - [ -0.0042888000000000, -0.0003218000000000, 0.0000002700000000 ] - [ -0.0020527800000000, 0.0003226300000000, 0.0000011800000000 ] - [ -0.0005090700000000, -0.0006201700000000, -0.0001919200000000 ] - [ 0.0002801100000000, -0.0000834800000000, -0.0000938300000000 ] - [ -0.0031170600000000, 0.0001476800000000, -0.0004104300000000 ] - [ -0.0006686500000000, -0.0006116000000000, -0.0002619100000000 ] - [ -0.0015287800000000, 0.0000987900000000, 0.0003745900000000 ] - [ -0.0009185300000000, -0.0002093500000000, 0.0019654000000000 ] - [ 0.0001999000000000, 0.0008575400000000, 0.0002749600000000 ] - [ -0.0027321700000000, 0.0028120500000000, 0.0018270600000000 ] - [ -0.0019989900000000, -0.0000316800000000, -0.0001788500000000 ] - [ -0.0006738900000000, 0.0008134700000000, -0.0001633500000000 ] - [ -0.0013253300000000, -0.0005333100000000, -0.0017283400000000 ] - [ -0.0007022700000000, 0.0000940100000000, -0.0001149800000000 ] - [ -0.0022020000000000, -0.0005626300000000, 0.0000720600000000 ] - [ -0.0025068600000000, 0.0005617800000000, 0.0000723100000000 ] - [ 0.0005618700000000, 0.0014151600000000, -0.0017251100000000 ] - [ -0.0028839800000000, 0.0002815700000000, -0.0005871300000000 ] - [ -0.0020017200000000, -0.0005623400000000, -0.0000719300000000 ] - [ -0.0008945300000000, 0.0007384900000000, 0.0001900800000000 ] - [ -0.0026262200000000, 0.0034096900000000, -0.0020776300000000 ] - [ -0.0002442300000000, -0.0011753800000000, 0.0003987900000000 ] - [ -0.0005560100000000, -0.0001609500000000, 0.0002008500000000 ] - [ -0.0002596300000000, -0.0006483800000000, 0.0002142900000000 ] - [ -0.0031729800000000, -0.0008987700000000, 0.0005887800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0545773400000000, -0.0020936700000000 ] - [ 0.0000000000000000, 0.0027333900000000, -0.0006841000000000 ] - [ 0.0000000000000000, -0.0004594100000000, -0.0002395100000000 ] - [ 0.0000000000000000, 0.0024390700000000, 0.0054609600000000 ] - [ 0.0000000000000000, 0.0008106700000000, -0.0002038300000000 ] - [ 0.0000000000000000, 0.0001732300000000, 0.0000219200000000 ] - [ 0.0000000000000000, -0.0003788900000000, -0.0002455500000000 ] - [ 0.0000000000000000, -0.0007061000000000, 0.0002905500000000 ] - [ -0.0001652100000000, 0.0003117600000000, -0.0011558800000000 ] - [ 0.0044434300000000, -0.0008013700000000, 0.0006183800000000 ] - [ -0.0000582800000000, 0.0005402400000000, -0.0002686200000000 ] - [ -0.0044434300000000, -0.0008013700000000, 0.0006183800000000 ] - [ 0.0004538900000000, -0.0001208600000000, 0.0006380900000000 ] - [ -0.0004538900000000, -0.0001208600000000, 0.0006380900000000 ] - [ 0.0000582800000000, 0.0005402400000000, -0.0002686200000000 ] - [ 0.0001652100000000, 0.0003117600000000, -0.0011558800000000 ] - [ -0.0000992700000000, -0.0004333700000000, -0.0006108100000000 ] - [ 0.0003256000000000, 0.0003998400000000, 0.0006669600000000 ] - [ -0.0000986000000000, -0.0002170700000000, -0.0006468000000000 ] - [ -0.0003256000000000, 0.0003998400000000, 0.0006669600000000 ] - [ 0.0000276800000000, 0.0002725000000000, 0.0006317600000000 ] - [ -0.0000276800000000, 0.0002725000000000, 0.0006317600000000 ] - [ 0.0000986000000000, -0.0002170700000000, -0.0006468000000000 ] - [ 0.0000992700000000, -0.0004333700000000, -0.0006108100000000 ] - [ -0.0005173300000000, 0.0005350900000000, 0.0003820400000000 ] - [ 0.0159491300000000, 0.0152842800000000, -0.0015780000000000 ] - [ -0.0017436600000000, 0.0015902700000000, -0.0003410400000000 ] - [ 0.0002620800000000, -0.0106828700000000, -0.0007461800000000 ] - [ 0.0038734200000000, 0.0053106100000000, -0.0052430500000000 ] - [ 0.0011291500000000, 0.0000349500000000, -0.0002284300000000 ] - [ -0.0001420900000000, 0.0018531600000000, 0.0000973300000000 ] - [ -0.0011291500000000, 0.0000349500000000, -0.0002284300000000 ] - [ 0.0040209900000000, 0.0054218400000000, 0.0059361800000000 ] - [ -0.0004741900000000, -0.0102574700000000, -0.0018752000000000 ] - [ -0.0019754200000000, 0.0009398400000000, 0.0001929400000000 ] - [ 0.0001420900000000, 0.0018531600000000, 0.0000973300000000 ] - [ 0.0004741900000000, -0.0102574700000000, -0.0018752000000000 ] - [ -0.0003765000000000, 0.0079901100000000, 0.0005736900000000 ] - [ 0.0003765000000000, 0.0079901100000000, 0.0005736900000000 ] - [ -0.0002620800000000, -0.0106828700000000, -0.0007461800000000 ] - [ 0.0002261400000000, -0.0002133800000000, 0.0002209100000000 ] - [ 0.0019754200000000, 0.0009398400000000, 0.0001929400000000 ] - [ -0.0159491300000000, 0.0152842800000000, -0.0015780000000000 ] - [ -0.0038734200000000, 0.0053106100000000, -0.0052430500000000 ] - [ -0.0002261400000000, -0.0002133800000000, 0.0002209100000000 ] - [ 0.0017436600000000, 0.0015902700000000, -0.0003410400000000 ] - [ -0.0040209900000000, 0.0054218400000000, 0.0059361800000000 ] - [ 0.0005173300000000, 0.0005350900000000, 0.0003820400000000 ] - [ 0.0007057600000000, -0.0002466200000000, -0.0009790200000000 ] - [ 0.0004459100000000, -0.0008443500000000, 0.0001273300000000 ] - [ -0.0045060500000000, -0.0008118000000000, -0.0018255000000000 ] - [ -0.0001459000000000, 0.0008132000000000, -0.0000615000000000 ] - [ 0.0002559200000000, 0.0005185100000000, 0.0003622900000000 ] - [ -0.0004213900000000, -0.0007600200000000, 0.0010709200000000 ] - [ -0.0002706700000000, -0.0007057300000000, 0.0001922300000000 ] - [ 0.0004213900000000, -0.0007600200000000, 0.0010709200000000 ] - [ 0.0006568200000000, 0.0010598400000000, -0.0007321000000000 ] - [ -0.0006271400000000, 0.0011877400000000, -0.0002712000000000 ] - [ -0.0059505600000000, -0.0011998700000000, 0.0019909100000000 ] - [ 0.0002706700000000, -0.0007057300000000, 0.0001922300000000 ] - [ 0.0006271400000000, 0.0011877400000000, -0.0002712000000000 ] - [ 0.0003249200000000, -0.0010505000000000, 0.0002255900000000 ] - [ -0.0003249200000000, -0.0010505000000000, 0.0002255900000000 ] - [ 0.0001459000000000, 0.0008132000000000, -0.0000615000000000 ] - [ 0.0006171600000000, -0.0007615200000000, 0.0001862100000000 ] - [ 0.0059505600000000, -0.0011998700000000, 0.0019909100000000 ] - [ -0.0004459100000000, -0.0008443500000000, 0.0001273300000000 ] - [ -0.0002559200000000, 0.0005185100000000, 0.0003622900000000 ] - [ -0.0006171600000000, -0.0007615200000000, 0.0001862100000000 ] - [ 0.0045060500000000, -0.0008118000000000, -0.0018255000000000 ] - [ -0.0006568200000000, 0.0010598400000000, -0.0007321000000000 ] - [ -0.0007057600000000, -0.0002466200000000, -0.0009790200000000 ] - [ 0.0006796200000000, -0.0001337100000000, 0.0000545000000000 ] - [ 0.0000000000000000, -0.0007685600000000, -0.0022585000000000 ] - [ -0.0005652700000000, -0.0032374900000000, -0.0015487000000000 ] - [ 0.0004096800000000, -0.0005686800000000, -0.0000501500000000 ] - [ 0.0003962100000000, 0.0012317300000000, 0.0006766500000000 ] - [ -0.0000150000000000, -0.0009875700000000, 0.0002516700000000 ] - [ -0.0003653000000000, -0.0010060400000000, 0.0012887500000000 ] - [ -0.0002608400000000, -0.0010043700000000, -0.0000856300000000 ] - [ 0.0000000000000000, -0.0004169000000000, 0.0020149100000000 ] - [ 0.0011039600000000, -0.0001488600000000, 0.0000766900000000 ] - [ 0.0000000000000000, 0.0030994300000000, -0.0006057000000000 ] - [ -0.0007573600000000, -0.0038642800000000, -0.0007509600000000 ] - [ 0.0008764100000000, 0.0000277800000000, -0.0001671000000000 ] - [ -0.0010208300000000, -0.0002640600000000, 0.0000948900000000 ] - [ -0.0009277700000000, -0.0029215300000000, 0.0007878000000000 ] - [ 0.0005652700000000, -0.0032374900000000, -0.0015487000000000 ] - [ -0.0004151200000000, -0.0040798400000000, 0.0013838200000000 ] - [ -0.0030245700000000, 0.0049422200000000, -0.0020409200000000 ] - [ -0.0001101500000000, 0.0028117600000000, -0.0008102400000000 ] - [ -0.0014037800000000, -0.0000891700000000, 0.0000287900000000 ] - [ 0.0002608400000000, -0.0010043700000000, -0.0000856300000000 ] - [ 0.0000917300000000, -0.0008962100000000, -0.0007538000000000 ] - [ -0.0001161300000000, -0.0006738900000000, -0.0000145200000000 ] - [ -0.0004096800000000, -0.0005686800000000, -0.0000501500000000 ] - [ 0.0000257000000000, -0.0012646000000000, -0.0005767800000000 ] - [ 0.0026221000000000, 0.0048291900000000, 0.0024334000000000 ] - [ -0.0014427100000000, -0.0004623400000000, -0.0002255600000000 ] - [ 0.0001101500000000, 0.0028117600000000, -0.0008102400000000 ] - [ 0.0014427100000000, -0.0004623400000000, -0.0002255600000000 ] - [ -0.0008764100000000, 0.0000277800000000, -0.0001671000000000 ] - [ -0.0008145400000000, -0.0001471000000000, 0.0000679600000000 ] - [ 0.0000000000000000, -0.0023892500000000, 0.0000159000000000 ] - [ 0.0000000000000000, 0.0003424800000000, -0.0002154100000000 ] - [ 0.0000150000000000, -0.0009875700000000, 0.0002516700000000 ] - [ -0.0003178000000000, 0.0004836200000000, 0.0000412000000000 ] - [ -0.0000772200000000, -0.0014714900000000, 0.0001212600000000 ] - [ -0.0003962100000000, 0.0012317300000000, 0.0006766500000000 ] - [ 0.0003653000000000, -0.0010060400000000, 0.0012887500000000 ] - [ 0.0001161300000000, -0.0006738900000000, -0.0000145200000000 ] - [ 0.0003178000000000, 0.0004836200000000, 0.0000412000000000 ] - [ 0.0014037800000000, -0.0000891700000000, 0.0000287900000000 ] - [ -0.0000917300000000, -0.0008962100000000, -0.0007538000000000 ] - [ 0.0007573600000000, -0.0038642800000000, -0.0007509600000000 ] - [ -0.0011039600000000, -0.0001488600000000, 0.0000766900000000 ] - [ 0.0030245700000000, 0.0049422200000000, -0.0020409200000000 ] - [ 0.0000000000000000, -0.0010328500000000, 0.0001358900000000 ] - [ 0.0000000000000000, 0.0122246300000000, 0.0003566800000000 ] - [ 0.0008145400000000, -0.0001471000000000, 0.0000679600000000 ] - [ 0.0009277700000000, -0.0029215300000000, 0.0007878000000000 ] - [ 0.0000000000000000, 0.0037099900000000, 0.0002623400000000 ] - [ 0.0004151200000000, -0.0040798400000000, 0.0013838200000000 ] - [ 0.0010208300000000, -0.0002640600000000, 0.0000948900000000 ] - [ -0.0006796200000000, -0.0001337100000000, 0.0000545000000000 ] - [ -0.0026221000000000, 0.0048291900000000, 0.0024334000000000 ] - [ -0.0000257000000000, -0.0012646000000000, -0.0005767800000000 ] - [ 0.0000772200000000, -0.0014714900000000, 0.0001212600000000 ] - [ 0.0020203500000000, 0.0004044100000000, 0.0000580700000000 ] - [ 0.0000000000000000, 0.0005003600000000, 0.0001151000000000 ] - [ -0.0008867800000000, 0.0000229300000000, -0.0002335700000000 ] - [ 0.0001843900000000, 0.0001793500000000, -0.0000006200000000 ] - [ 0.0001846500000000, -0.0009328100000000, -0.0001997300000000 ] - [ 0.0000871900000000, -0.0000681100000000, -0.0000883700000000 ] - [ 0.0002704800000000, 0.0003766200000000, -0.0001488000000000 ] - [ 0.0002450300000000, 0.0009873500000000, 0.0009546200000000 ] - [ 0.0000000000000000, 0.0002400300000000, -0.0001626800000000 ] - [ 0.0004552000000000, 0.0001185300000000, -0.0014320900000000 ] - [ 0.0000000000000000, -0.0004440300000000, 0.0000285300000000 ] - [ -0.0000723500000000, 0.0012064900000000, -0.0002477300000000 ] - [ -0.0002613400000000, 0.0013996600000000, 0.0000508700000000 ] - [ -0.0051094200000000, 0.0024074200000000, 0.0043389400000000 ] - [ -0.0010535800000000, -0.0003085000000000, 0.0001502700000000 ] - [ 0.0008867800000000, 0.0000229300000000, -0.0002335700000000 ] - [ 0.0001528000000000, 0.0011289000000000, 0.0001816600000000 ] - [ 0.0002627800000000, -0.0001317500000000, -0.0001000500000000 ] - [ 0.0000388900000000, -0.0001158600000000, 0.0002315700000000 ] - [ -0.0054772300000000, 0.0022539500000000, -0.0029401500000000 ] - [ -0.0002450300000000, 0.0009873500000000, 0.0009546200000000 ] - [ 0.0006684600000000, 0.0001142800000000, 0.0002261500000000 ] - [ 0.0006660300000000, 0.0014487400000000, -0.0011764000000000 ] - [ -0.0001843900000000, 0.0001793500000000, -0.0000006200000000 ] - [ -0.0001497100000000, -0.0000925700000000, 0.0001850500000000 ] - [ -0.0000351100000000, -0.0010130400000000, 0.0000328400000000 ] - [ -0.0007146500000000, -0.0000498900000000, 0.0010516300000000 ] - [ -0.0000388900000000, -0.0001158600000000, 0.0002315700000000 ] - [ 0.0007146500000000, -0.0000498900000000, 0.0010516300000000 ] - [ 0.0002613400000000, 0.0013996600000000, 0.0000508700000000 ] - [ 0.0001898600000000, 0.0008899200000000, -0.0001647500000000 ] - [ 0.0000000000000000, -0.0001416700000000, 0.0000526400000000 ] - [ 0.0000000000000000, 0.0003719700000000, -0.0000248600000000 ] - [ -0.0000871900000000, -0.0000681100000000, -0.0000883700000000 ] - [ 0.0002987000000000, 0.0002808600000000, 0.0001114000000000 ] - [ 0.0003960700000000, 0.0010228000000000, 0.0002679500000000 ] - [ -0.0001846500000000, -0.0009328100000000, -0.0001997300000000 ] - [ -0.0002704800000000, 0.0003766200000000, -0.0001488000000000 ] - [ -0.0006660300000000, 0.0014487400000000, -0.0011764000000000 ] - [ -0.0002987000000000, 0.0002808600000000, 0.0001114000000000 ] - [ 0.0054772300000000, 0.0022539500000000, -0.0029401500000000 ] - [ -0.0006684600000000, 0.0001142800000000, 0.0002261500000000 ] - [ 0.0000723500000000, 0.0012064900000000, -0.0002477300000000 ] - [ -0.0004552000000000, 0.0001185300000000, -0.0014320900000000 ] - [ -0.0002627800000000, -0.0001317500000000, -0.0001000500000000 ] - [ 0.0000000000000000, -0.0004602000000000, 0.0000856700000000 ] - [ 0.0000000000000000, 0.0006221600000000, 0.0001098100000000 ] - [ -0.0001898600000000, 0.0008899200000000, -0.0001647500000000 ] - [ 0.0010535800000000, -0.0003085000000000, 0.0001502700000000 ] - [ 0.0000000000000000, -0.0006757100000000, -0.0001014900000000 ] - [ -0.0001528000000000, 0.0011289000000000, 0.0001816600000000 ] - [ 0.0051094200000000, 0.0024074200000000, 0.0043389400000000 ] - [ -0.0020203500000000, 0.0004044100000000, 0.0000580700000000 ] - [ 0.0000351100000000, -0.0010130400000000, 0.0000328400000000 ] - [ 0.0001497100000000, -0.0000925700000000, 0.0001850500000000 ] - [ -0.0003960700000000, 0.0010228000000000, 0.0002679500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0569429200000000, 0.0016486700000000 ] - [ 0.0000000000000000, -0.0017760500000000, 0.0011528200000000 ] - [ 0.0000000000000000, -0.0005133300000000, -0.0002122800000000 ] - [ 0.0000000000000000, -0.0034252100000000, -0.0050724600000000 ] - [ 0.0000000000000000, 0.0001546300000000, -0.0002491400000000 ] - [ 0.0000000000000000, 0.0007925500000000, 0.0004330000000000 ] - [ 0.0000000000000000, -0.0005860000000000, -0.0002073600000000 ] - [ 0.0000000000000000, -0.0002590100000000, 0.0001609300000000 ] - [ 0.0003655400000000, -0.0004984200000000, -0.0001169400000000 ] - [ -0.0042518700000000, 0.0005908900000000, 0.0006596100000000 ] - [ 0.0002578900000000, -0.0003534500000000, -0.0010135700000000 ] - [ 0.0042518700000000, 0.0005908900000000, 0.0006596100000000 ] - [ -0.0002597800000000, 0.0003073900000000, 0.0006401100000000 ] - [ 0.0002597800000000, 0.0003073900000000, 0.0006401100000000 ] - [ -0.0002578900000000, -0.0003534500000000, -0.0010135700000000 ] - [ -0.0003655400000000, -0.0004984200000000, -0.0001169400000000 ] - [ 0.0002977300000000, 0.0002465500000000, -0.0006671900000000 ] - [ -0.0001336300000000, -0.0005883300000000, 0.0006114900000000 ] - [ 0.0002951300000000, 0.0004043300000000, -0.0006320100000000 ] - [ 0.0001336300000000, -0.0005883300000000, 0.0006114900000000 ] - [ 0.0001704900000000, -0.0000848800000000, 0.0006464000000000 ] - [ -0.0001704900000000, -0.0000848800000000, 0.0006464000000000 ] - [ -0.0002951300000000, 0.0004043300000000, -0.0006320100000000 ] - [ -0.0002977300000000, 0.0002465500000000, -0.0006671900000000 ] - [ 0.0015472400000000, -0.0005391500000000, -0.0003810100000000 ] - [ -0.0165787400000000, -0.0152419100000000, 0.0019541500000000 ] - [ 0.0017361100000000, -0.0007831200000000, 0.0003502100000000 ] - [ 0.0000645100000000, 0.0104961200000000, 0.0004579400000000 ] - [ -0.0043272900000000, -0.0059297700000000, 0.0048068800000000 ] - [ -0.0011345200000000, -0.0008540600000000, 0.0002273200000000 ] - [ -0.0002493100000000, -0.0020832300000000, 0.0002510100000000 ] - [ 0.0011345200000000, -0.0008540600000000, 0.0002273200000000 ] - [ -0.0036057600000000, -0.0052538700000000, -0.0062756900000000 ] - [ -0.0000660300000000, 0.0108663800000000, 0.0014037700000000 ] - [ 0.0009460100000000, -0.0009464900000000, -0.0002013700000000 ] - [ 0.0002493100000000, -0.0020832300000000, 0.0002510100000000 ] - [ 0.0000660300000000, 0.0108663800000000, 0.0014037700000000 ] - [ -0.0000790100000000, -0.0074544400000000, -0.0001533200000000 ] - [ 0.0000790100000000, -0.0074544400000000, -0.0001533200000000 ] - [ -0.0000645100000000, 0.0104961200000000, 0.0004579400000000 ] - [ 0.0002481300000000, -0.0003360500000000, 0.0002008000000000 ] - [ -0.0009460100000000, -0.0009464900000000, -0.0002013700000000 ] - [ 0.0165787400000000, -0.0152419100000000, 0.0019541500000000 ] - [ 0.0043272900000000, -0.0059297700000000, 0.0048068800000000 ] - [ -0.0002481300000000, -0.0003360500000000, 0.0002008000000000 ] - [ -0.0017361100000000, -0.0007831200000000, 0.0003502100000000 ] - [ 0.0036057600000000, -0.0052538700000000, -0.0062756900000000 ] - [ -0.0015472400000000, -0.0005391500000000, -0.0003810100000000 ] - [ 0.0003120200000000, 0.0002487900000000, 0.0009834900000000 ] - [ -0.0008349000000000, 0.0010652000000000, 0.0002204800000000 ] - [ 0.0045180100000000, 0.0016418000000000, 0.0018354300000000 ] - [ 0.0005351600000000, -0.0010367200000000, -0.0002884000000000 ] - [ -0.0007349700000000, -0.0010818300000000, -0.0007904100000000 ] - [ 0.0004277400000000, -0.0000522100000000, -0.0010753000000000 ] - [ -0.0001180400000000, 0.0004835600000000, 0.0001548600000000 ] - [ -0.0004277400000000, -0.0000522100000000, -0.0010753000000000 ] - [ -0.0002689100000000, -0.0008382300000000, 0.0003886900000000 ] - [ 0.0001497900000000, -0.0006258200000000, -0.0001508700000000 ] - [ 0.0049393900000000, 0.0012161900000000, -0.0020019800000000 ] - [ 0.0001180400000000, 0.0004835600000000, 0.0001548600000000 ] - [ -0.0001497900000000, -0.0006258200000000, -0.0001508700000000 ] - [ -0.0008027600000000, 0.0016170500000000, 0.0001981600000000 ] - [ 0.0008027600000000, 0.0016170500000000, 0.0001981600000000 ] - [ -0.0005351600000000, -0.0010367200000000, -0.0002884000000000 ] - [ -0.0001400400000000, 0.0001970600000000, 0.0002385900000000 ] - [ -0.0049393900000000, 0.0012161900000000, -0.0020019800000000 ] - [ 0.0008349000000000, 0.0010652000000000, 0.0002204800000000 ] - [ 0.0007349700000000, -0.0010818300000000, -0.0007904100000000 ] - [ 0.0001400400000000, 0.0001970600000000, 0.0002385900000000 ] - [ -0.0045180100000000, 0.0016418000000000, 0.0018354300000000 ] - [ 0.0002689100000000, -0.0008382300000000, 0.0003886900000000 ] - [ -0.0003120200000000, 0.0002487900000000, 0.0009834900000000 ] - [ -0.0011344700000000, 0.0004397100000000, -0.0000671700000000 ] - [ 0.0000000000000000, 0.0018932100000000, 0.0020889000000000 ] - [ 0.0013097300000000, 0.0032518500000000, 0.0015673900000000 ] - [ 0.0000447300000000, 0.0002680500000000, 0.0000361300000000 ] - [ -0.0000046800000000, -0.0020960200000000, -0.0009966300000000 ] - [ 0.0000705100000000, 0.0000993700000000, -0.0005203800000000 ] - [ 0.0010746100000000, 0.0014047900000000, -0.0010708000000000 ] - [ 0.0003425300000000, 0.0002362200000000, -0.0000962800000000 ] - [ 0.0000000000000000, 0.0010615200000000, -0.0019968500000000 ] - [ -0.0010272800000000, 0.0009271000000000, -0.0002526200000000 ] - [ 0.0000000000000000, -0.0037501500000000, 0.0006375800000000 ] - [ 0.0007108400000000, 0.0047728900000000, 0.0004910600000000 ] - [ -0.0001716800000000, 0.0003627800000000, -0.0000575200000000 ] - [ 0.0003123900000000, -0.0001260200000000, 0.0001277900000000 ] - [ 0.0016257100000000, 0.0025414200000000, -0.0010263300000000 ] - [ -0.0013097300000000, 0.0032518500000000, 0.0015673900000000 ] - [ 0.0008114200000000, 0.0049772000000000, -0.0010808200000000 ] - [ 0.0032806100000000, -0.0039951700000000, 0.0018651300000000 ] - [ 0.0001651100000000, -0.0019200100000000, 0.0010805000000000 ] - [ -0.0001354800000000, 0.0000894300000000, -0.0000276000000000 ] - [ -0.0003425300000000, 0.0002362200000000, -0.0000962800000000 ] - [ 0.0014499500000000, 0.0009024200000000, 0.0007566700000000 ] - [ 0.0005703600000000, 0.0003730700000000, 0.0000308100000000 ] - [ -0.0000447300000000, 0.0002680500000000, 0.0000361300000000 ] - [ -0.0004186900000000, 0.0003927900000000, 0.0008949200000000 ] - [ -0.0024274200000000, -0.0056313100000000, -0.0023065200000000 ] - [ 0.0009947100000000, 0.0007740900000000, 0.0002363000000000 ] - [ -0.0001651100000000, -0.0019200100000000, 0.0010805000000000 ] - [ -0.0009947100000000, 0.0007740900000000, 0.0002363000000000 ] - [ 0.0001716800000000, 0.0003627800000000, -0.0000575200000000 ] - [ 0.0000635200000000, 0.0001461300000000, -0.0000664500000000 ] - [ 0.0000000000000000, 0.0017387800000000, -0.0000116000000000 ] - [ 0.0000000000000000, 0.0002994500000000, 0.0002221500000000 ] - [ -0.0000705100000000, 0.0000993700000000, -0.0005203800000000 ] - [ 0.0004026800000000, 0.0002877000000000, 0.0001362000000000 ] - [ 0.0001663800000000, 0.0007079700000000, 0.0000576800000000 ] - [ 0.0000046800000000, -0.0020960200000000, -0.0009966300000000 ] - [ -0.0010746100000000, 0.0014047900000000, -0.0010708000000000 ] - [ -0.0005703600000000, 0.0003730700000000, 0.0000308100000000 ] - [ -0.0004026800000000, 0.0002877000000000, 0.0001362000000000 ] - [ 0.0001354800000000, 0.0000894300000000, -0.0000276000000000 ] - [ -0.0014499500000000, 0.0009024200000000, 0.0007566700000000 ] - [ -0.0007108400000000, 0.0047728900000000, 0.0004910600000000 ] - [ 0.0010272800000000, 0.0009271000000000, -0.0002526200000000 ] - [ -0.0032806100000000, -0.0039951700000000, 0.0018651300000000 ] - [ 0.0000000000000000, -0.0000899700000000, 0.0000069100000000 ] - [ 0.0000000000000000, -0.0120866000000000, -0.0001918400000000 ] - [ -0.0000635200000000, 0.0001461300000000, -0.0000664500000000 ] - [ -0.0016257100000000, 0.0025414200000000, -0.0010263300000000 ] - [ 0.0000000000000000, -0.0048466500000000, -0.0004381700000000 ] - [ -0.0008114200000000, 0.0049772000000000, -0.0010808200000000 ] - [ -0.0003123900000000, -0.0001260200000000, 0.0001277900000000 ] - [ 0.0011344700000000, 0.0004397100000000, -0.0000671700000000 ] - [ 0.0024274200000000, -0.0056313100000000, -0.0023065200000000 ] - [ 0.0004186900000000, 0.0003927900000000, 0.0008949200000000 ] - [ -0.0001663800000000, 0.0007079700000000, 0.0000576800000000 ] - [ -0.0024961600000000, -0.0001123700000000, -0.0000696800000000 ] - [ 0.0000000000000000, 0.0006250600000000, -0.0002594800000000 ] - [ 0.0016435600000000, -0.0000251500000000, 0.0002342000000000 ] - [ 0.0002715000000000, -0.0004832200000000, -0.0000097800000000 ] - [ 0.0002058900000000, 0.0000616200000000, -0.0001121200000000 ] - [ -0.0000322200000000, -0.0008132400000000, -0.0001758000000000 ] - [ 0.0004364500000000, 0.0000115400000000, 0.0003749100000000 ] - [ -0.0001677100000000, -0.0017662700000000, -0.0011430000000000 ] - [ 0.0000000000000000, 0.0004035100000000, 0.0001592800000000 ] - [ -0.0003727500000000, 0.0006506000000000, 0.0012572600000000 ] - [ 0.0000000000000000, -0.0001999000000000, -0.0000323900000000 ] - [ 0.0000174400000000, -0.0003224000000000, -0.0000144900000000 ] - [ 0.0009765100000000, -0.0010190600000000, -0.0002785200000000 ] - [ 0.0044055900000000, -0.0028755200000000, -0.0041372100000000 ] - [ 0.0017678900000000, -0.0000826900000000, -0.0003757800000000 ] - [ -0.0016435600000000, -0.0000251500000000, 0.0002342000000000 ] - [ 0.0002385300000000, -0.0002564600000000, 0.0001285100000000 ] - [ 0.0001270700000000, 0.0010027100000000, -0.0002140600000000 ] - [ 0.0000168500000000, 0.0010003400000000, 0.0000324600000000 ] - [ 0.0039202000000000, -0.0023331400000000, 0.0029394000000000 ] - [ 0.0001677100000000, -0.0017662700000000, -0.0011430000000000 ] - [ 0.0008642400000000, -0.0001154900000000, -0.0002277000000000 ] - [ -0.0002176100000000, -0.0017626500000000, 0.0011953900000000 ] - [ -0.0002715000000000, -0.0004832200000000, -0.0000097800000000 ] - [ -0.0002413000000000, -0.0007761200000000, 0.0001277800000000 ] - [ 0.0000913200000000, 0.0001292500000000, 0.0002324800000000 ] - [ 0.0002606100000000, 0.0003506700000000, -0.0010460800000000 ] - [ -0.0000168500000000, 0.0010003400000000, 0.0000324600000000 ] - [ -0.0002606100000000, 0.0003506700000000, -0.0010460800000000 ] - [ -0.0009765100000000, -0.0010190600000000, -0.0002785200000000 ] - [ -0.0009483800000000, -0.0009031600000000, 0.0001733100000000 ] - [ 0.0000000000000000, -0.0005032800000000, -0.0000487900000000 ] - [ 0.0000000000000000, 0.0002722700000000, 0.0000279400000000 ] - [ 0.0000322200000000, -0.0008132400000000, -0.0001758000000000 ] - [ -0.0002176600000000, 0.0004883700000000, 0.0000700300000000 ] - [ -0.0003085000000000, -0.0018020700000000, -0.0000878800000000 ] - [ -0.0002058900000000, 0.0000616200000000, -0.0001121200000000 ] - [ -0.0004364500000000, 0.0000115400000000, 0.0003749100000000 ] - [ 0.0002176100000000, -0.0017626500000000, 0.0011953900000000 ] - [ 0.0002176600000000, 0.0004883700000000, 0.0000700300000000 ] - [ -0.0039202000000000, -0.0023331400000000, 0.0029394000000000 ] - [ -0.0008642400000000, -0.0001154900000000, -0.0002277000000000 ] - [ -0.0000174400000000, -0.0003224000000000, -0.0000144900000000 ] - [ 0.0003727500000000, 0.0006506000000000, 0.0012572600000000 ] - [ -0.0001270700000000, 0.0010027100000000, -0.0002140600000000 ] - [ 0.0000000000000000, -0.0006651200000000, 0.0000568600000000 ] - [ 0.0000000000000000, 0.0005030300000000, 0.0000343200000000 ] - [ 0.0009483800000000, -0.0009031600000000, 0.0001733100000000 ] - [ -0.0017678900000000, -0.0000826900000000, -0.0003757800000000 ] - [ 0.0000000000000000, -0.0004493100000000, -0.0000418100000000 ] - [ -0.0002385300000000, -0.0002564600000000, 0.0001285100000000 ] - [ -0.0044055900000000, -0.0028755200000000, -0.0041372100000000 ] - [ 0.0024961600000000, -0.0001123700000000, -0.0000696800000000 ] - [ -0.0000913200000000, 0.0001292500000000, 0.0002324800000000 ] - [ 0.0002413000000000, -0.0007761200000000, 0.0001277800000000 ] - [ 0.0003085000000000, -0.0018020700000000, -0.0000878800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0015082500000000, -0.0687336400000000 ] - [ 0.0000000000000000, 0.0014029400000000, 0.0004261500000000 ] - [ 0.0000000000000000, -0.0004657300000000, 0.0046477300000000 ] - [ 0.0000000000000000, 0.0047638700000000, 0.0020225100000000 ] - [ 0.0000000000000000, 0.0005051300000000, -0.0006833600000000 ] - [ 0.0000000000000000, 0.0006877100000000, 0.0002742200000000 ] - [ 0.0000000000000000, -0.0004637800000000, 0.0003120000000000 ] - [ 0.0000000000000000, -0.0004174800000000, 0.0002054700000000 ] - [ 0.0001725900000000, -0.0002905500000000, -0.0005536700000000 ] - [ 0.0001276900000000, -0.0001173600000000, -0.0026740500000000 ] - [ 0.0000858200000000, 0.0002918800000000, -0.0006484800000000 ] - [ -0.0001276900000000, -0.0001173600000000, -0.0026740500000000 ] - [ 0.0001162200000000, 0.0000949900000000, 0.0021841600000000 ] - [ -0.0001162200000000, 0.0000949900000000, 0.0021841600000000 ] - [ -0.0000858200000000, 0.0002918800000000, -0.0006484800000000 ] - [ -0.0001725900000000, -0.0002905500000000, -0.0005536700000000 ] - [ -0.0004569300000000, -0.0000366400000000, -0.0005668500000000 ] - [ 0.0000905900000000, -0.0000637900000000, 0.0004506800000000 ] - [ 0.0006705100000000, -0.0000802300000000, -0.0006123200000000 ] - [ -0.0000905900000000, -0.0000637900000000, 0.0004506800000000 ] - [ 0.0001098700000000, 0.0001124500000000, 0.0008192300000000 ] - [ -0.0001098700000000, 0.0001124500000000, 0.0008192300000000 ] - [ -0.0006705100000000, -0.0000802300000000, -0.0006123200000000 ] - [ 0.0004569300000000, -0.0000366400000000, -0.0005668500000000 ] - [ -0.0008855600000000, 0.0009441100000000, 0.0021693500000000 ] - [ -0.0008804200000000, -0.0023392900000000, -0.0075311600000000 ] - [ -0.0019254100000000, 0.0014406700000000, -0.0019463200000000 ] - [ -0.0173011600000000, 0.0026630500000000, 0.0164655300000000 ] - [ -0.0045734900000000, -0.0108746500000000, 0.0041601800000000 ] - [ -0.0014237800000000, -0.0011542900000000, 0.0018588900000000 ] - [ -0.0002223100000000, -0.0005991300000000, 0.0025579600000000 ] - [ 0.0014237800000000, -0.0011542900000000, 0.0018588900000000 ] - [ 0.0043744100000000, 0.0108600800000000, 0.0051287200000000 ] - [ 0.0179922900000000, -0.0037877600000000, 0.0163904900000000 ] - [ 0.0009466900000000, -0.0007717000000000, -0.0018852800000000 ] - [ 0.0002223100000000, -0.0005991300000000, 0.0025579600000000 ] - [ -0.0179922900000000, -0.0037877600000000, 0.0163904900000000 ] - [ -0.0000460900000000, -0.0004381700000000, -0.0034111400000000 ] - [ 0.0000460900000000, -0.0004381700000000, -0.0034111400000000 ] - [ 0.0173011600000000, 0.0026630500000000, 0.0164655300000000 ] - [ 0.0003938700000000, -0.0011279600000000, 0.0048438100000000 ] - [ -0.0009466900000000, -0.0007717000000000, -0.0018852800000000 ] - [ 0.0008804200000000, -0.0023392900000000, -0.0075311600000000 ] - [ 0.0045734900000000, -0.0108746500000000, 0.0041601800000000 ] - [ -0.0003938700000000, -0.0011279600000000, 0.0048438100000000 ] - [ 0.0019254100000000, 0.0014406700000000, -0.0019463200000000 ] - [ -0.0043744100000000, 0.0108600800000000, 0.0051287200000000 ] - [ 0.0008855600000000, 0.0009441100000000, 0.0021693500000000 ] - [ 0.0024261400000000, -0.0008007000000000, 0.0027322700000000 ] - [ -0.0000798100000000, -0.0000634100000000, -0.0005797400000000 ] - [ 0.0055244900000000, -0.0005665400000000, -0.0029043400000000 ] - [ 0.0003685800000000, -0.0000286700000000, -0.0001516300000000 ] - [ 0.0002936900000000, 0.0001398500000000, -0.0001424300000000 ] - [ 0.0021914000000000, 0.0005907000000000, 0.0030751100000000 ] - [ -0.0003037300000000, -0.0003103400000000, 0.0011421600000000 ] - [ -0.0021914000000000, 0.0005907000000000, 0.0030751100000000 ] - [ -0.0002199300000000, -0.0003337800000000, -0.0000680200000000 ] - [ -0.0004720300000000, 0.0002247900000000, -0.0001133900000000 ] - [ -0.0068267300000000, 0.0014432700000000, -0.0030836400000000 ] - [ 0.0003037300000000, -0.0003103400000000, 0.0011421600000000 ] - [ 0.0004720300000000, 0.0002247900000000, -0.0001133900000000 ] - [ -0.0000946800000000, 0.0000988200000000, -0.0010849600000000 ] - [ 0.0000946800000000, 0.0000988200000000, -0.0010849600000000 ] - [ -0.0003685800000000, -0.0000286700000000, -0.0001516300000000 ] - [ 0.0003120400000000, -0.0003837500000000, 0.0009757700000000 ] - [ 0.0068267300000000, 0.0014432700000000, -0.0030836400000000 ] - [ 0.0000798100000000, -0.0000634100000000, -0.0005797400000000 ] - [ -0.0002936900000000, 0.0001398500000000, -0.0001424300000000 ] - [ -0.0003120400000000, -0.0003837500000000, 0.0009757700000000 ] - [ -0.0055244900000000, -0.0005665400000000, -0.0029043400000000 ] - [ 0.0002199300000000, -0.0003337800000000, -0.0000680200000000 ] - [ -0.0024261400000000, -0.0008007000000000, 0.0027322700000000 ] - [ -0.0001532900000000, 0.0001553600000000, 0.0012468600000000 ] - [ 0.0000000000000000, -0.0018145900000000, -0.0018522600000000 ] - [ 0.0014553800000000, 0.0035030700000000, 0.0029787000000000 ] - [ 0.0001523300000000, -0.0002008400000000, -0.0013165100000000 ] - [ -0.0005644000000000, 0.0020363400000000, -0.0035571300000000 ] - [ 0.0000294800000000, -0.0002252200000000, -0.0010567200000000 ] - [ 0.0014458800000000, 0.0024866300000000, -0.0023672400000000 ] - [ -0.0002420500000000, -0.0006422900000000, -0.0001708200000000 ] - [ 0.0000000000000000, 0.0019984300000000, -0.0016757900000000 ] - [ -0.0017996100000000, 0.0018854400000000, -0.0003047100000000 ] - [ 0.0000000000000000, -0.0003919100000000, -0.0019301900000000 ] - [ 0.0000109600000000, 0.0005623300000000, 0.0013857600000000 ] - [ -0.0000229300000000, 0.0000912400000000, -0.0004626200000000 ] - [ -0.0008876400000000, -0.0000304900000000, 0.0004618600000000 ] - [ -0.0010366600000000, -0.0032009100000000, 0.0021905400000000 ] - [ -0.0014553800000000, 0.0035030700000000, 0.0029787000000000 ] - [ 0.0001301100000000, 0.0006923400000000, 0.0011597500000000 ] - [ -0.0033558600000000, -0.0012594800000000, 0.0025228500000000 ] - [ -0.0008109800000000, -0.0015328700000000, -0.0032474000000000 ] - [ -0.0003548700000000, -0.0000991200000000, 0.0003193200000000 ] - [ 0.0002420500000000, -0.0006422900000000, -0.0001708200000000 ] - [ -0.0002514600000000, -0.0017467100000000, -0.0019422600000000 ] - [ 0.0004984300000000, -0.0000234800000000, 0.0000368900000000 ] - [ -0.0001523300000000, -0.0002008400000000, -0.0013165100000000 ] - [ -0.0000675700000000, -0.0005657200000000, -0.0009186800000000 ] - [ -0.0023418600000000, 0.0014780800000000, 0.0023317500000000 ] - [ -0.0023798000000000, -0.0014903900000000, -0.0003085100000000 ] - [ 0.0008109800000000, -0.0015328700000000, -0.0032474000000000 ] - [ 0.0023798000000000, -0.0014903900000000, -0.0003085100000000 ] - [ 0.0000229300000000, 0.0000912400000000, -0.0004626200000000 ] - [ -0.0007182400000000, 0.0002097300000000, -0.0004386500000000 ] - [ 0.0000000000000000, -0.0003431700000000, 0.0007627600000000 ] - [ 0.0000000000000000, 0.0002818400000000, -0.0011451600000000 ] - [ -0.0000294800000000, -0.0002252200000000, -0.0010567200000000 ] - [ 0.0000145100000000, 0.0003997000000000, -0.0011502000000000 ] - [ 0.0000590300000000, -0.0004336400000000, 0.0014325800000000 ] - [ 0.0005644000000000, 0.0020363400000000, -0.0035571300000000 ] - [ -0.0014458800000000, 0.0024866300000000, -0.0023672400000000 ] - [ -0.0004984300000000, -0.0000234800000000, 0.0000368900000000 ] - [ -0.0000145100000000, 0.0003997000000000, -0.0011502000000000 ] - [ 0.0003548700000000, -0.0000991200000000, 0.0003193200000000 ] - [ 0.0002514600000000, -0.0017467100000000, -0.0019422600000000 ] - [ -0.0000109600000000, 0.0005623300000000, 0.0013857600000000 ] - [ 0.0017996100000000, 0.0018854400000000, -0.0003047100000000 ] - [ 0.0033558600000000, -0.0012594800000000, 0.0025228500000000 ] - [ 0.0000000000000000, -0.0005658600000000, -0.0006071200000000 ] - [ 0.0000000000000000, 0.0004210100000000, 0.0038935000000000 ] - [ 0.0007182400000000, 0.0002097300000000, -0.0004386500000000 ] - [ 0.0010366600000000, -0.0032009100000000, 0.0021905400000000 ] - [ 0.0000000000000000, -0.0011466000000000, -0.0021738400000000 ] - [ -0.0001301100000000, 0.0006923400000000, 0.0011597500000000 ] - [ 0.0008876400000000, -0.0000304900000000, 0.0004618600000000 ] - [ 0.0001532900000000, 0.0001553600000000, 0.0012468600000000 ] - [ 0.0023418600000000, 0.0014780800000000, 0.0023317500000000 ] - [ 0.0000675700000000, -0.0005657200000000, -0.0009186800000000 ] - [ -0.0000590300000000, -0.0004336400000000, 0.0014325800000000 ] - [ -0.0004316100000000, -0.0000118800000000, 0.0029845200000000 ] - [ 0.0000000000000000, 0.0005416600000000, -0.0001961100000000 ] - [ -0.0008403600000000, 0.0002142200000000, 0.0006112100000000 ] - [ 0.0002663700000000, -0.0001177500000000, -0.0015987600000000 ] - [ 0.0002698600000000, -0.0005459500000000, -0.0003404500000000 ] - [ 0.0001411600000000, -0.0004165500000000, -0.0005246100000000 ] - [ -0.0004149500000000, 0.0004082700000000, -0.0004209100000000 ] - [ 0.0027318800000000, 0.0009021700000000, -0.0007158600000000 ] - [ 0.0000000000000000, 0.0002951100000000, -0.0001197400000000 ] - [ 0.0006008800000000, -0.0002222200000000, -0.0006438100000000 ] - [ 0.0000000000000000, -0.0002963400000000, 0.0000330700000000 ] - [ 0.0001037500000000, 0.0005223700000000, 0.0002511400000000 ] - [ 0.0024754000000000, -0.0030943900000000, -0.0036638100000000 ] - [ 0.0050364000000000, 0.0046037900000000, 0.0028327400000000 ] - [ 0.0016241000000000, -0.0002127000000000, 0.0003929200000000 ] - [ 0.0008403600000000, 0.0002142200000000, 0.0006112100000000 ] - [ 0.0000540000000000, 0.0004430900000000, 0.0005325100000000 ] - [ 0.0001372700000000, 0.0006110700000000, 0.0000330800000000 ] - [ 0.0001008800000000, 0.0005350700000000, -0.0000772100000000 ] - [ -0.0063753400000000, -0.0036980300000000, 0.0026092900000000 ] - [ -0.0027318800000000, 0.0009021700000000, -0.0007158600000000 ] - [ 0.0014607300000000, -0.0001077900000000, -0.0004559700000000 ] - [ -0.0026438600000000, -0.0015185500000000, -0.0007329700000000 ] - [ -0.0002663700000000, -0.0001177500000000, -0.0015987600000000 ] - [ -0.0003293700000000, -0.0004031800000000, -0.0001782400000000 ] - [ -0.0000382600000000, -0.0006525000000000, 0.0003288800000000 ] - [ 0.0004063000000000, 0.0005075600000000, -0.0003688200000000 ] - [ -0.0001008800000000, 0.0005350700000000, -0.0000772100000000 ] - [ -0.0004063000000000, 0.0005075600000000, -0.0003688200000000 ] - [ -0.0024754000000000, -0.0030943900000000, -0.0036638100000000 ] - [ 0.0015144900000000, 0.0040458700000000, -0.0045562300000000 ] - [ 0.0000000000000000, -0.0003425500000000, 0.0002740300000000 ] - [ 0.0000000000000000, 0.0003226500000000, -0.0001480800000000 ] - [ -0.0001411600000000, -0.0004165500000000, -0.0005246100000000 ] - [ 0.0000662300000000, 0.0003133000000000, -0.0018602900000000 ] - [ 0.0000779400000000, -0.0003060900000000, 0.0029189000000000 ] - [ -0.0002698600000000, -0.0005459500000000, -0.0003404500000000 ] - [ 0.0004149500000000, 0.0004082700000000, -0.0004209100000000 ] - [ 0.0026438600000000, -0.0015185500000000, -0.0007329700000000 ] - [ -0.0000662300000000, 0.0003133000000000, -0.0018602900000000 ] - [ 0.0063753400000000, -0.0036980300000000, 0.0026092900000000 ] - [ -0.0014607300000000, -0.0001077900000000, -0.0004559700000000 ] - [ -0.0001037500000000, 0.0005223700000000, 0.0002511400000000 ] - [ -0.0006008800000000, -0.0002222200000000, -0.0006438100000000 ] - [ -0.0001372700000000, 0.0006110700000000, 0.0000330800000000 ] - [ 0.0000000000000000, -0.0005706400000000, -0.0001781900000000 ] - [ 0.0000000000000000, 0.0005634900000000, 0.0002582900000000 ] - [ -0.0015144900000000, 0.0040458700000000, -0.0045562300000000 ] - [ -0.0016241000000000, -0.0002127000000000, 0.0003929200000000 ] - [ 0.0000000000000000, -0.0006254700000000, -0.0000253500000000 ] - [ -0.0000540000000000, 0.0004430900000000, 0.0005325100000000 ] - [ -0.0050364000000000, 0.0046037900000000, 0.0028327400000000 ] - [ 0.0004316100000000, -0.0000118800000000, 0.0029845200000000 ] - [ 0.0000382600000000, -0.0006525000000000, 0.0003288800000000 ] - [ 0.0003293700000000, -0.0004031800000000, -0.0001782400000000 ] - [ -0.0000779400000000, -0.0003060900000000, 0.0029189000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0022357500000000, 0.0683582000000000 ] - [ 0.0000000000000000, -0.0004335200000000, 0.0000177700000000 ] - [ 0.0000000000000000, -0.0004929700000000, -0.0051004200000000 ] - [ 0.0000000000000000, -0.0057694500000000, -0.0015619000000000 ] - [ 0.0000000000000000, 0.0004599200000000, 0.0002306000000000 ] - [ 0.0000000000000000, 0.0002767400000000, 0.0001773600000000 ] - [ 0.0000000000000000, -0.0005020300000000, -0.0007650000000000 ] - [ 0.0000000000000000, -0.0005471100000000, 0.0002484700000000 ] - [ 0.0000263300000000, 0.0001032800000000, -0.0007279600000000 ] - [ 0.0000367700000000, -0.0000880700000000, 0.0039526600000000 ] - [ 0.0001126200000000, -0.0001035000000000, -0.0006275400000000 ] - [ -0.0000367700000000, -0.0000880700000000, 0.0039526600000000 ] - [ 0.0000851700000000, 0.0000925200000000, -0.0009057900000000 ] - [ -0.0000851700000000, 0.0000925200000000, -0.0009057900000000 ] - [ -0.0001126200000000, -0.0001035000000000, -0.0006275400000000 ] - [ -0.0000263300000000, 0.0001032800000000, -0.0007279600000000 ] - [ 0.0006545700000000, -0.0001505100000000, -0.0007122100000000 ] - [ 0.0001078700000000, -0.0001235700000000, 0.0008285900000000 ] - [ -0.0004729700000000, 0.0002681200000000, -0.0006651500000000 ] - [ -0.0001078700000000, -0.0001235700000000, 0.0008285900000000 ] - [ 0.0000896100000000, 0.0000753700000000, 0.0004590200000000 ] - [ -0.0000896100000000, 0.0000753700000000, 0.0004590200000000 ] - [ 0.0004729700000000, 0.0002681200000000, -0.0006651500000000 ] - [ -0.0006545700000000, -0.0001505100000000, -0.0007122100000000 ] - [ 0.0019083300000000, -0.0009422400000000, -0.0021719900000000 ] - [ 0.0005890100000000, 0.0026253000000000, 0.0078561400000000 ] - [ 0.0019266400000000, -0.0006227500000000, 0.0019419100000000 ] - [ 0.0179253300000000, -0.0028869900000000, -0.0169907000000000 ] - [ 0.0041184000000000, 0.0103352400000000, -0.0045750800000000 ] - [ 0.0014265300000000, 0.0003403800000000, -0.0018555200000000 ] - [ -0.0001695500000000, 0.0003747400000000, -0.0022101600000000 ] - [ -0.0014265300000000, 0.0003403800000000, -0.0018555200000000 ] - [ -0.0039583200000000, -0.0106091800000000, -0.0054820300000000 ] - [ -0.0182349300000000, 0.0043273500000000, -0.0166405700000000 ] - [ -0.0019691400000000, 0.0007742200000000, 0.0018885300000000 ] - [ 0.0001695500000000, 0.0003747400000000, -0.0022101600000000 ] - [ 0.0182349300000000, 0.0043273500000000, -0.0166405700000000 ] - [ -0.0004406100000000, 0.0010171600000000, 0.0038371200000000 ] - [ 0.0004406100000000, 0.0010171600000000, 0.0038371200000000 ] - [ -0.0179253300000000, -0.0028869900000000, -0.0169907000000000 ] - [ 0.0000799600000000, 0.0005545000000000, -0.0044194000000000 ] - [ 0.0019691400000000, 0.0007742200000000, 0.0018885300000000 ] - [ -0.0005890100000000, 0.0026253000000000, 0.0078561400000000 ] - [ -0.0041184000000000, 0.0103352400000000, -0.0045750800000000 ] - [ -0.0000799600000000, 0.0005545000000000, -0.0044194000000000 ] - [ -0.0019266400000000, -0.0006227500000000, 0.0019419100000000 ] - [ 0.0039583200000000, -0.0106091800000000, -0.0054820300000000 ] - [ -0.0019083300000000, -0.0009422400000000, -0.0021719900000000 ] - [ -0.0013926200000000, 0.0007967600000000, -0.0027370900000000 ] - [ -0.0003086200000000, 0.0002836800000000, 0.0009271400000000 ] - [ -0.0055388300000000, 0.0013800500000000, 0.0028898800000000 ] - [ 0.0000202300000000, -0.0001920100000000, -0.0001945900000000 ] - [ -0.0007725700000000, -0.0007020000000000, -0.0002778300000000 ] - [ -0.0022019000000000, -0.0014101100000000, -0.0030704900000000 ] - [ -0.0000816000000000, 0.0000890200000000, -0.0007952600000000 ] - [ 0.0022019000000000, -0.0014101100000000, -0.0030704900000000 ] - [ 0.0006094400000000, 0.0005564100000000, -0.0002816400000000 ] - [ -0.0000069000000000, 0.0003391900000000, -0.0003114100000000 ] - [ 0.0057822800000000, -0.0014447100000000, 0.0031006800000000 ] - [ 0.0000816000000000, 0.0000890200000000, -0.0007952600000000 ] - [ 0.0000069000000000, 0.0003391900000000, -0.0003114100000000 ] - [ -0.0003819900000000, 0.0004616400000000, 0.0015081900000000 ] - [ 0.0003819900000000, 0.0004616400000000, 0.0015081900000000 ] - [ -0.0000202300000000, -0.0001920100000000, -0.0001945900000000 ] - [ 0.0001686600000000, -0.0001782300000000, -0.0005526700000000 ] - [ -0.0057822800000000, -0.0014447100000000, 0.0031006800000000 ] - [ 0.0003086200000000, 0.0002836800000000, 0.0009271400000000 ] - [ 0.0007725700000000, -0.0007020000000000, -0.0002778300000000 ] - [ -0.0001686600000000, -0.0001782300000000, -0.0005526700000000 ] - [ 0.0055388300000000, 0.0013800500000000, 0.0028898800000000 ] - [ -0.0006094400000000, 0.0005564100000000, -0.0002816400000000 ] - [ 0.0013926200000000, 0.0007967600000000, -0.0027370900000000 ] - [ -0.0003025100000000, 0.0001486300000000, -0.0012596700000000 ] - [ 0.0000000000000000, 0.0029181400000000, 0.0017001500000000 ] - [ -0.0007006500000000, -0.0035150800000000, -0.0029903100000000 ] - [ 0.0003045600000000, -0.0001011600000000, 0.0013025100000000 ] - [ 0.0009631300000000, -0.0029217500000000, 0.0032454000000000 ] - [ 0.0000261000000000, -0.0006565600000000, 0.0007958800000000 ] - [ -0.0007416300000000, -0.0020962500000000, 0.0025888200000000 ] - [ 0.0003245100000000, -0.0001298100000000, -0.0000050900000000 ] - [ 0.0000000000000000, -0.0013694300000000, 0.0016768900000000 ] - [ 0.0018830900000000, -0.0011157000000000, 0.0001245200000000 ] - [ 0.0000000000000000, -0.0002965400000000, 0.0022890600000000 ] - [ -0.0000698100000000, 0.0003141000000000, -0.0016599400000000 ] - [ 0.0007306100000000, 0.0002973400000000, 0.0002362300000000 ] - [ 0.0001804400000000, -0.0003599200000000, -0.0002375300000000 ] - [ 0.0017451300000000, 0.0027988200000000, -0.0024051400000000 ] - [ 0.0007006500000000, -0.0035150800000000, -0.0029903100000000 ] - [ 0.0002559300000000, 0.0001657800000000, -0.0008385600000000 ] - [ 0.0035312200000000, 0.0022323800000000, -0.0026290400000000 ] - [ 0.0008564900000000, 0.0024061000000000, 0.0035111200000000 ] - [ -0.0011838100000000, 0.0000993400000000, -0.0003195300000000 ] - [ -0.0003245100000000, -0.0001298100000000, -0.0000050900000000 ] - [ 0.0017894700000000, 0.0017451400000000, 0.0019440500000000 ] - [ -0.0000433500000000, -0.0002804800000000, -0.0000251500000000 ] - [ -0.0003045600000000, -0.0001011600000000, 0.0013025100000000 ] - [ -0.0003242800000000, -0.0003043500000000, 0.0012284800000000 ] - [ 0.0025917700000000, -0.0022760600000000, -0.0022730000000000 ] - [ 0.0019235100000000, 0.0017923000000000, 0.0003238100000000 ] - [ -0.0008564900000000, 0.0024061000000000, 0.0035111200000000 ] - [ -0.0019235100000000, 0.0017923000000000, 0.0003238100000000 ] - [ -0.0007306100000000, 0.0002973400000000, 0.0002362300000000 ] - [ -0.0000344300000000, -0.0002130500000000, 0.0004424300000000 ] - [ 0.0000000000000000, -0.0003020900000000, -0.0007586300000000 ] - [ 0.0000000000000000, 0.0003654000000000, 0.0011490700000000 ] - [ -0.0000261000000000, -0.0006565600000000, 0.0007958800000000 ] - [ 0.0000673900000000, 0.0003695900000000, 0.0013275800000000 ] - [ 0.0000196600000000, -0.0003417200000000, -0.0012536500000000 ] - [ -0.0009631300000000, -0.0029217500000000, 0.0032454000000000 ] - [ 0.0007416300000000, -0.0020962500000000, 0.0025888200000000 ] - [ 0.0000433500000000, -0.0002804800000000, -0.0000251500000000 ] - [ -0.0000673900000000, 0.0003695900000000, 0.0013275800000000 ] - [ 0.0011838100000000, 0.0000993400000000, -0.0003195300000000 ] - [ -0.0017894700000000, 0.0017451400000000, 0.0019440500000000 ] - [ 0.0000698100000000, 0.0003141000000000, -0.0016599400000000 ] - [ -0.0018830900000000, -0.0011157000000000, 0.0001245200000000 ] - [ -0.0035312200000000, 0.0022323800000000, -0.0026290400000000 ] - [ 0.0000000000000000, -0.0005598800000000, 0.0007517600000000 ] - [ 0.0000000000000000, 0.0006746800000000, -0.0037438900000000 ] - [ 0.0000344300000000, -0.0002130500000000, 0.0004424300000000 ] - [ -0.0017451300000000, 0.0027988200000000, -0.0024051400000000 ] - [ 0.0000000000000000, -0.0000167400000000, 0.0016412800000000 ] - [ -0.0002559300000000, 0.0001657800000000, -0.0008385600000000 ] - [ -0.0001804400000000, -0.0003599200000000, -0.0002375300000000 ] - [ 0.0003025100000000, 0.0001486300000000, -0.0012596700000000 ] - [ -0.0025917700000000, -0.0022760600000000, -0.0022730000000000 ] - [ 0.0003242800000000, -0.0003043500000000, 0.0012284800000000 ] - [ -0.0000196600000000, -0.0003417200000000, -0.0012536500000000 ] - [ -0.0000143100000000, 0.0003212900000000, -0.0029961100000000 ] - [ 0.0000000000000000, 0.0005839500000000, 0.0000534600000000 ] - [ 0.0015901600000000, -0.0002154000000000, -0.0006143500000000 ] - [ 0.0001849400000000, -0.0001842500000000, 0.0015888600000000 ] - [ 0.0001204500000000, -0.0003261500000000, 0.0000276700000000 ] - [ -0.0000852600000000, -0.0004653200000000, 0.0002611100000000 ] - [ 0.0011268800000000, -0.0000176200000000, 0.0006438000000000 ] - [ -0.0026388800000000, -0.0016675500000000, 0.0005409300000000 ] - [ 0.0000000000000000, 0.0003485900000000, 0.0001151000000000 ] - [ -0.0005166000000000, 0.0009936100000000, 0.0004550200000000 ] - [ 0.0000000000000000, -0.0003479800000000, -0.0000359700000000 ] - [ -0.0001588100000000, 0.0003635300000000, -0.0005148500000000 ] - [ -0.0017803400000000, 0.0034914100000000, 0.0034450200000000 ] - [ -0.0057706900000000, -0.0049910900000000, -0.0025382000000000 ] - [ -0.0009175400000000, -0.0001784700000000, -0.0006146600000000 ] - [ -0.0015901600000000, -0.0002154000000000, -0.0006143500000000 ] - [ 0.0003370800000000, 0.0004306100000000, -0.0002209900000000 ] - [ 0.0002536000000000, 0.0002593500000000, -0.0003447000000000 ] - [ -0.0000450400000000, 0.0003483800000000, 0.0003428200000000 ] - [ 0.0047936500000000, 0.0036823300000000, -0.0026848700000000 ] - [ 0.0026388800000000, -0.0016675500000000, 0.0005409300000000 ] - [ 0.0000777200000000, 0.0001085500000000, 0.0004572900000000 ] - [ 0.0031099200000000, 0.0012207600000000, 0.0007379200000000 ] - [ -0.0001849400000000, -0.0001842500000000, 0.0015888600000000 ] - [ -0.0000607000000000, -0.0004667100000000, 0.0004901000000000 ] - [ 0.0000935100000000, -0.0002320900000000, -0.0000659500000000 ] - [ -0.0008624800000000, -0.0002045400000000, 0.0003855400000000 ] - [ 0.0000450400000000, 0.0003483800000000, 0.0003428200000000 ] - [ 0.0008624800000000, -0.0002045400000000, 0.0003855400000000 ] - [ 0.0017803400000000, 0.0034914100000000, 0.0034450200000000 ] - [ -0.0022550000000000, -0.0040381500000000, 0.0045488100000000 ] - [ 0.0000000000000000, -0.0003016000000000, -0.0002701800000000 ] - [ 0.0000000000000000, 0.0003212600000000, 0.0001507200000000 ] - [ 0.0000852600000000, -0.0004653200000000, 0.0002611100000000 ] - [ 0.0000200900000000, 0.0004585100000000, 0.0020421200000000 ] - [ 0.0000123000000000, -0.0004657600000000, -0.0027376500000000 ] - [ -0.0001204500000000, -0.0003261500000000, 0.0000276700000000 ] - [ -0.0011268800000000, -0.0000176200000000, 0.0006438000000000 ] - [ -0.0031099200000000, 0.0012207600000000, 0.0007379200000000 ] - [ -0.0000200900000000, 0.0004585100000000, 0.0020421200000000 ] - [ -0.0047936500000000, 0.0036823300000000, -0.0026848700000000 ] - [ -0.0000777200000000, 0.0001085500000000, 0.0004572900000000 ] - [ 0.0001588100000000, 0.0003635300000000, -0.0005148500000000 ] - [ 0.0005166000000000, 0.0009936100000000, 0.0004550200000000 ] - [ -0.0002536000000000, 0.0002593500000000, -0.0003447000000000 ] - [ 0.0000000000000000, -0.0005547900000000, 0.0003219700000000 ] - [ 0.0000000000000000, 0.0005617400000000, -0.0001142200000000 ] - [ 0.0022550000000000, -0.0040381500000000, 0.0045488100000000 ] - [ 0.0009175400000000, -0.0001784700000000, -0.0006146600000000 ] - [ 0.0000000000000000, -0.0004997900000000, -0.0001190200000000 ] - [ -0.0003370800000000, 0.0004306100000000, -0.0002209900000000 ] - [ 0.0057706900000000, -0.0049910900000000, -0.0025382000000000 ] - [ 0.0000143100000000, 0.0003212900000000, -0.0029961100000000 ] - [ -0.0000935100000000, -0.0002320900000000, -0.0000659500000000 ] - [ 0.0000607000000000, -0.0004667100000000, 0.0004901000000000 ] - [ -0.0000123000000000, -0.0004657600000000, -0.0027376500000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000093700000000, 0.0002166500000000, -0.0001545100000000 ] - [ 0.0075364900000000, 0.0047967300000000, 0.0001819900000000 ] - [ -0.0000569400000000, -0.0003237400000000, -0.0002400700000000 ] - [ 0.0002941100000000, -0.0008387500000000, 0.0002121800000000 ] - [ 0.0005323100000000, 0.0002821200000000, -0.0007845500000000 ] - [ 0.0004401600000000, 0.0007117800000000, 0.0002348400000000 ] - [ 0.0005553200000000, -0.0002839200000000, 0.0003461100000000 ] - [ 0.0002339000000000, -0.0004101500000000, 0.0002172500000000 ] - [ -0.0389766300000000, -0.0057274300000000, -0.0009332100000000 ] - [ -0.0002900800000000, -0.0001193300000000, 0.0006014400000000 ] - [ -0.0005063100000000, 0.0001220400000000, -0.0006395100000000 ] - [ 0.0000316000000000, -0.0000955200000000, 0.0006449100000000 ] - [ -0.0003044800000000, 0.0000678900000000, 0.0006558500000000 ] - [ 0.0000308700000000, 0.0000982200000000, 0.0006285700000000 ] - [ 0.0001011700000000, 0.0001036800000000, -0.0006403700000000 ] - [ 0.0002398000000000, -0.0001225200000000, -0.0006347400000000 ] - [ 0.0002634800000000, -0.0000877900000000, -0.0006393300000000 ] - [ 0.0003178100000000, -0.0000788800000000, 0.0005811200000000 ] - [ 0.0002455600000000, 0.0000877000000000, -0.0006416200000000 ] - [ 0.0000687700000000, -0.0000220700000000, -0.0007141600000000 ] - [ 0.0003197500000000, 0.0000858700000000, 0.0007019900000000 ] - [ 0.0002820700000000, 0.0000254200000000, 0.0023233800000000 ] - [ -0.0002458300000000, 0.0000846600000000, -0.0006486700000000 ] - [ -0.0000669500000000, -0.0000917300000000, -0.0006303800000000 ] - [ 0.0015794900000000, 0.0000506500000000, 0.0001268100000000 ] - [ 0.0013292700000000, -0.0004079300000000, 0.0003147300000000 ] - [ 0.0010851800000000, 0.0004329000000000, -0.0000630400000000 ] - [ -0.0003562300000000, -0.0005053200000000, -0.0002911000000000 ] - [ -0.0006851600000000, 0.0002932400000000, -0.0001328700000000 ] - [ -0.0015303400000000, -0.0003566300000000, 0.0008642600000000 ] - [ 0.0010766100000000, 0.0004007300000000, -0.0002205400000000 ] - [ 0.0008088300000000, -0.0003118200000000, -0.0000733900000000 ] - [ -0.0014114800000000, 0.0004227100000000, -0.0002340900000000 ] - [ -0.0013390700000000, -0.0017487300000000, 0.0001009200000000 ] - [ 0.0002486000000000, 0.0000801900000000, -0.0000103600000000 ] - [ -0.0016491700000000, 0.0055677500000000, -0.0038018600000000 ] - [ 0.0007292200000000, 0.0000375900000000, -0.0001785900000000 ] - [ -0.0021131700000000, 0.0055447600000000, 0.0032863600000000 ] - [ 0.0015744100000000, 0.0008033700000000, 0.0005939700000000 ] - [ 0.0000551700000000, -0.0002161600000000, -0.0002062800000000 ] - [ 0.0019331400000000, -0.0008115900000000, 0.0001276000000000 ] - [ -0.0006351500000000, -0.0000190200000000, -0.0010399200000000 ] - [ -0.0010431600000000, -0.0070102600000000, 0.0059199500000000 ] - [ 0.0004919700000000, -0.0001097000000000, -0.0001775600000000 ] - [ -0.0015979500000000, -0.0071881700000000, -0.0046861600000000 ] - [ -0.0030322000000000, -0.0041308900000000, -0.0053683300000000 ] - [ 0.0001877500000000, 0.0002690000000000, -0.0001824200000000 ] - [ -0.0045344900000000, -0.0040518500000000, 0.0048804700000000 ] - [ -0.0021821600000000, 0.0051111500000000, 0.0055351000000000 ] - [ 0.0002988100000000, -0.0002896800000000, -0.0005383100000000 ] - [ -0.0041086400000000, 0.0048175800000000, -0.0054736200000000 ] - [ 0.0007736100000000, -0.0002756900000000, -0.0002015500000000 ] - [ 0.0003590100000000, -0.0001564500000000, -0.0001839400000000 ] - [ 0.0008311900000000, -0.0005103100000000, 0.0000268000000000 ] - [ 0.0001855900000000, 0.0000760900000000, 0.0008085700000000 ] - [ -0.0016286400000000, -0.0003788500000000, 0.0011478500000000 ] - [ 0.0020094700000000, 0.0003400200000000, -0.0003619500000000 ] - [ 0.0016512400000000, -0.0000189200000000, -0.0000068800000000 ] - [ -0.0021554300000000, -0.0001909200000000, -0.0007684800000000 ] - [ 0.0009358700000000, -0.0002240900000000, 0.0003336100000000 ] - [ 0.0051787700000000, -0.0032278000000000, -0.0002847900000000 ] - [ 0.0005484900000000, 0.0002126600000000, -0.0000044300000000 ] - [ 0.0006122700000000, 0.0005495400000000, -0.0005669300000000 ] - [ -0.0001762300000000, -0.0002944100000000, -0.0001313200000000 ] - [ 0.0007614300000000, -0.0007226100000000, 0.0011166600000000 ] - [ 0.0012722500000000, -0.0001178900000000, 0.0000344900000000 ] - [ 0.0009626600000000, 0.0001573700000000, 0.0001001300000000 ] - [ 0.0002565300000000, -0.0001539900000000, -0.0002615100000000 ] - [ 0.0005553800000000, -0.0002744500000000, 0.0003363600000000 ] - [ 0.0010612800000000, 0.0003753700000000, -0.0001967900000000 ] - [ 0.0060845100000000, 0.0033034000000000, -0.0006245600000000 ] - [ 0.0004744200000000, -0.0000060500000000, 0.0001513700000000 ] - [ -0.0006057400000000, 0.0000584700000000, 0.0000120500000000 ] - [ 0.0003220300000000, -0.0000666200000000, -0.0001300300000000 ] - [ 0.0015561800000000, -0.0011418500000000, -0.0009495000000000 ] - [ -0.0002516100000000, -0.0003180200000000, -0.0000017000000000 ] - [ 0.0001165100000000, -0.0004466000000000, -0.0001718900000000 ] - [ 0.0055875200000000, 0.0003457900000000, 0.0024224000000000 ] - [ 0.0017280600000000, -0.0010107100000000, 0.0008791200000000 ] - [ 0.0078573100000000, -0.0028471200000000, -0.0000545900000000 ] - [ -0.0000180500000000, 0.0002427600000000, 0.0000171900000000 ] - [ -0.0002087400000000, 0.0003957100000000, -0.0000522600000000 ] - [ -0.0000177800000000, -0.0000294100000000, 0.0000334800000000 ] - [ -0.0002638600000000, 0.0003925300000000, -0.0002323300000000 ] - [ -0.0000871700000000, 0.0001734400000000, -0.0001576800000000 ] - [ -0.0006714900000000, 0.0007983800000000, 0.0011467800000000 ] - [ 0.0026891900000000, -0.0015046000000000, 0.0001941000000000 ] - [ -0.0007758000000000, -0.0002910900000000, -0.0002574600000000 ] - [ -0.0003373900000000, 0.0005999800000000, -0.0002609900000000 ] - [ 0.0000868100000000, 0.0004626900000000, -0.0001904200000000 ] - [ 0.0004186900000000, 0.0008472300000000, 0.0002108700000000 ] - [ -0.0005174500000000, -0.0000784600000000, 0.0002346900000000 ] - [ -0.0005999600000000, -0.0002420000000000, -0.0001256700000000 ] - [ 0.0035094000000000, -0.0013044200000000, 0.0000037100000000 ] - [ 0.0005868100000000, -0.0002885400000000, 0.0000823400000000 ] - [ 0.0015779900000000, -0.0002092700000000, -0.0014264400000000 ] - [ 0.0001732800000000, -0.0003502600000000, 0.0017751900000000 ] - [ 0.0002604900000000, -0.0005227500000000, 0.0002372200000000 ] - [ 0.0011854200000000, 0.0015706600000000, -0.0000337700000000 ] - [ -0.0001347700000000, 0.0004842900000000, 0.0001692900000000 ] - [ -0.0001009100000000, 0.0001693300000000, -0.0000264300000000 ] - [ -0.0000322200000000, 0.0000859000000000, -0.0003507900000000 ] - [ -0.0005514100000000, 0.0012742900000000, -0.0012583200000000 ] - [ -0.0009962900000000, -0.0006644700000000, -0.0004303100000000 ] - [ -0.0016656200000000, 0.0005916500000000, 0.0003005300000000 ] - [ -0.0005683500000000, -0.0003479600000000, 0.0002657300000000 ] - [ 0.0000952200000000, 0.0007605500000000, -0.0009032600000000 ] - [ -0.0003910400000000, -0.0005421700000000, 0.0000827800000000 ] - [ 0.0000166700000000, -0.0004258700000000, -0.0002494800000000 ] - [ -0.0008326700000000, -0.0000782200000000, 0.0003076800000000 ] - [ -0.0005605200000000, -0.0001181100000000, 0.0000300100000000 ] - [ -0.0003888800000000, 0.0002758200000000, 0.0000920000000000 ] - [ 0.0002680300000000, -0.0000094600000000, 0.0000600500000000 ] - [ -0.0015221600000000, -0.0002859900000000, 0.0000385000000000 ] - [ 0.0003795400000000, 0.0000036700000000, -0.0018021300000000 ] - [ 0.0006437200000000, 0.0004760300000000, -0.0000131300000000 ] - [ 0.0001544500000000, 0.0007046500000000, -0.0002223100000000 ] - [ -0.0010335500000000, -0.0010325600000000, 0.0004784100000000 ] - [ -0.0016002000000000, 0.0009850600000000, -0.0002470100000000 ] - [ -0.0001701000000000, 0.0002263300000000, -0.0002308700000000 ] - [ -0.0010151100000000, -0.0004550300000000, -0.0000831900000000 ] - [ 0.0000500400000000, -0.0003978200000000, -0.0000849900000000 ] - [ 0.0057214000000000, 0.0020503800000000, -0.0017850300000000 ] - [ -0.0002796200000000, -0.0000646200000000, 0.0002555400000000 ] - [ 0.0003408300000000, 0.0007175300000000, 0.0010154900000000 ] - [ -0.0001184900000000, -0.0004576300000000, 0.0001374700000000 ] - [ -0.0000336700000000, -0.0004793300000000, 0.0002602900000000 ] - [ 0.0014140100000000, -0.0004564500000000, 0.0015661900000000 ] - [ 0.0018645400000000, 0.0002384100000000, 0.0013509800000000 ] - [ -0.0024231200000000, 0.0001502100000000, -0.0001721900000000 ] - [ 0.0000093100000000, 0.0000587400000000, 0.0000634500000000 ] - [ 0.0005500700000000, -0.0007819300000000, -0.0012564900000000 ] - [ 0.0001892800000000, -0.0003972600000000, -0.0004294400000000 ] - [ -0.0001591700000000, -0.0004244100000000, -0.0001803200000000 ] - [ -0.0001129400000000, 0.0002476100000000, 0.0000451000000000 ] - [ -0.0002742400000000, -0.0004330000000000, -0.0000604100000000 ] - [ -0.0003957000000000, 0.0003248100000000, -0.0000645200000000 ] - [ 0.0003949500000000, 0.0005038200000000, -0.0002009000000000 ] - [ -0.0024147700000000, -0.0000427300000000, 0.0000993900000000 ] - [ -0.0000756900000000, 0.0004276500000000, 0.0001259200000000 ] - [ 0.0016713700000000, 0.0010953300000000, 0.0008357200000000 ] - [ -0.0009505900000000, 0.0000788000000000, 0.0002667200000000 ] - [ -0.0002966500000000, -0.0004104900000000, 0.0000822000000000 ] - [ -0.0000861300000000, 0.0001909100000000, 0.0002814200000000 ] - [ 0.0001084100000000, 0.0004560700000000, 0.0002564800000000 ] - [ -0.0014421500000000, 0.0005198600000000, 0.0001060000000000 ] - [ -0.0002900300000000, 0.0004190600000000, 0.0000207400000000 ] - [ -0.0012810600000000, 0.0001871200000000, -0.0001231600000000 ] - [ 0.0014177100000000, -0.0018049800000000, 0.0000116700000000 ] - [ 0.0000953200000000, -0.0001227000000000, -0.0001216200000000 ] - [ -0.0000400100000000, -0.0001397200000000, -0.0000170700000000 ] - [ -0.0005948800000000, -0.0000604800000000, -0.0000681300000000 ] - [ -0.0003542200000000, -0.0004080500000000, 0.0001042500000000 ] - [ -0.0001577900000000, -0.0004681500000000, 0.0002217400000000 ] - [ -0.0008304700000000, -0.0000043600000000, 0.0000117600000000 ] - [ -0.0019189800000000, 0.0007611400000000, 0.0000978400000000 ] - [ 0.0098610200000000, 0.0052038800000000, -0.0003105000000000 ] - [ -0.0008577800000000, 0.0004224800000000, 0.0000870400000000 ] - [ -0.0008813100000000, 0.0003017100000000, -0.0002289600000000 ] - [ -0.0007005300000000, -0.0003753300000000, 0.0001255900000000 ] - [ -0.0007329700000000, 0.0003585600000000, -0.0000838900000000 ] - [ -0.0001116400000000, -0.0004198600000000, -0.0002601400000000 ] - [ -0.0004447100000000, 0.0005600400000000, 0.0000368700000000 ] - [ 0.0002721500000000, -0.0008146700000000, 0.0013643300000000 ] - [ -0.0003812400000000, -0.0003748300000000, -0.0002523100000000 ] - [ -0.0000382700000000, 0.0003484700000000, -0.0001478400000000 ] - [ 0.0004763400000000, -0.0002345200000000, -0.0000651700000000 ] - [ 0.0017817600000000, 0.0001664000000000, -0.0016471400000000 ] - [ 0.0020696900000000, 0.0007192600000000, -0.0006428900000000 ] - [ -0.0011438300000000, -0.0008939200000000, -0.0008914100000000 ] - [ -0.0001380900000000, 0.0004385800000000, -0.0000752400000000 ] - [ -0.0003505800000000, 0.0003471900000000, -0.0001202600000000 ] - [ -0.0004966000000000, 0.0004602700000000, -0.0000395900000000 ] - [ -0.0006171800000000, -0.0006584500000000, -0.0000524000000000 ] - [ -0.0006703900000000, 0.0006431200000000, 0.0001601300000000 ] - [ 0.0023888500000000, 0.0024112400000000, -0.0007434500000000 ] - [ -0.0004769400000000, -0.0015365700000000, 0.0011622200000000 ] - [ -0.0003711200000000, -0.0005805300000000, -0.0000124600000000 ] - [ -0.0003768700000000, 0.0004132600000000, 0.0002015000000000 ] - [ 0.0031165200000000, 0.0019844800000000, 0.0005257600000000 ] - [ -0.0003054300000000, 0.0003411400000000, 0.0000277600000000 ] - [ -0.0000209100000000, -0.0004787400000000, 0.0003809700000000 ] - [ 0.0001537500000000, -0.0004745300000000, -0.0000880700000000 ] - [ -0.0003841800000000, -0.0002819300000000, 0.0001624000000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000068400000000, 0.0007472600000000, -0.0003011600000000 ] - [ -0.0076392400000000, -0.0038992700000000, 0.0002742900000000 ] - [ 0.0000572500000000, -0.0006407100000000, -0.0002139700000000 ] - [ -0.0002924500000000, -0.0001259600000000, 0.0002441400000000 ] - [ -0.0005324600000000, 0.0006793700000000, 0.0003265200000000 ] - [ -0.0004433800000000, 0.0002535000000000, 0.0002192800000000 ] - [ -0.0005531300000000, -0.0006786200000000, -0.0007976000000000 ] - [ -0.0002337200000000, -0.0005535100000000, 0.0002386000000000 ] - [ 0.0391607900000000, 0.0054969400000000, -0.0002865100000000 ] - [ 0.0004875800000000, -0.0000680800000000, 0.0006790900000000 ] - [ 0.0007029800000000, 0.0000654700000000, -0.0006375500000000 ] - [ -0.0002294900000000, -0.0000917100000000, 0.0006322500000000 ] - [ 0.0005019900000000, 0.0001193900000000, 0.0006236300000000 ] - [ -0.0002266900000000, 0.0000887100000000, 0.0006487500000000 ] - [ -0.0002983900000000, 0.0000836900000000, -0.0006390300000000 ] - [ -0.0004383800000000, -0.0000641100000000, -0.0006441000000000 ] - [ -0.0000664200000000, -0.0000990800000000, -0.0006378700000000 ] - [ -0.0001208700000000, -0.0001080100000000, 0.0006979400000000 ] - [ -0.0000491600000000, 0.0000992800000000, -0.0006356100000000 ] - [ -0.0002680800000000, -0.0001652500000000, 0.0019827200000000 ] - [ -0.0001232600000000, 0.0001013900000000, 0.0005781200000000 ] - [ -0.0004812900000000, 0.0001616800000000, -0.0010343000000000 ] - [ 0.0000477600000000, 0.0001026500000000, -0.0006308300000000 ] - [ -0.0001306300000000, -0.0000955900000000, -0.0006499900000000 ] - [ -0.0005485600000000, -0.0000494900000000, -0.0001245200000000 ] - [ -0.0017230200000000, 0.0006417400000000, 0.0000268700000000 ] - [ -0.0010869000000000, 0.0003804400000000, 0.0000600100000000 ] - [ 0.0007536400000000, 0.0002729500000000, -0.0000552800000000 ] - [ 0.0001999200000000, -0.0008408800000000, -0.0002856100000000 ] - [ 0.0015277000000000, -0.0004549700000000, -0.0008662000000000 ] - [ -0.0014728000000000, -0.0006331300000000, 0.0005696500000000 ] - [ -0.0008076600000000, -0.0004998300000000, 0.0000758400000000 ] - [ 0.0018140800000000, -0.0001877400000000, -0.0001126600000000 ] - [ 0.0008604700000000, 0.0022980600000000, -0.0005200400000000 ] - [ -0.0012785000000000, -0.0000786400000000, 0.0000086100000000 ] - [ 0.0020567600000000, -0.0057838400000000, 0.0041378100000000 ] - [ -0.0002445600000000, 0.0005126200000000, -0.0002389500000000 ] - [ 0.0016402600000000, -0.0049805900000000, -0.0028609400000000 ] - [ -0.0010909600000000, -0.0002533600000000, -0.0001795000000000 ] - [ -0.0004488400000000, -0.0000166600000000, -0.0001404100000000 ] - [ -0.0014493700000000, 0.0002629600000000, 0.0002941900000000 ] - [ 0.0016620900000000, 0.0000204400000000, 0.0010422400000000 ] - [ 0.0014553300000000, 0.0072298500000000, -0.0055688600000000 ] - [ -0.0000021400000000, -0.0004400400000000, -0.0002413400000000 ] - [ 0.0011327300000000, 0.0066216100000000, 0.0050965600000000 ] - [ 0.0030205700000000, 0.0049598900000000, 0.0053847700000000 ] - [ -0.0005831600000000, -0.0000410100000000, -0.0001637100000000 ] - [ 0.0035003900000000, 0.0040728000000000, -0.0048951500000000 ] - [ 0.0031948000000000, -0.0051251600000000, -0.0055480200000000 ] - [ -0.0006983600000000, 0.0005235300000000, 0.0008835900000000 ] - [ 0.0040998900000000, -0.0040254300000000, 0.0054904400000000 ] - [ -0.0003756900000000, 0.0000431200000000, -0.0001434900000000 ] - [ -0.0008469100000000, -0.0003933300000000, -0.0002341600000000 ] - [ -0.0008299000000000, -0.0003028600000000, -0.0000281100000000 ] - [ -0.0005839800000000, -0.0003069000000000, -0.0004621700000000 ] - [ 0.0016252000000000, -0.0004367600000000, -0.0011513600000000 ] - [ -0.0016082800000000, -0.0001093000000000, 0.0000153900000000 ] - [ -0.0021326900000000, 0.0005700200000000, -0.0004126000000000 ] - [ 0.0011222400000000, 0.0001871300000000, 0.0007702000000000 ] - [ -0.0005409200000000, -0.0000083400000000, 0.0000130000000000 ] - [ -0.0046797100000000, 0.0037247000000000, -0.0001335300000000 ] - [ -0.0010350900000000, 0.0003364700000000, 0.0004224700000000 ] - [ -0.0001281100000000, -0.0000013000000000, 0.0009857600000000 ] - [ -0.0002246700000000, 0.0000627500000000, -0.0002159000000000 ] - [ -0.0002802600000000, 0.0001735500000000, -0.0006999600000000 ] - [ -0.0002419300000000, 0.0001181800000000, -0.0000349200000000 ] - [ -0.0005679600000000, 0.0000721000000000, 0.0002456100000000 ] - [ 0.0002255500000000, -0.0003922600000000, -0.0001552000000000 ] - [ -0.0010439600000000, -0.0002800400000000, 0.0000826800000000 ] - [ -0.0010611700000000, 0.0004374400000000, 0.0001973400000000 ] - [ -0.0064578300000000, -0.0030071400000000, 0.0002767900000000 ] - [ -0.0015032800000000, 0.0000060600000000, -0.0001500900000000 ] - [ 0.0001476400000000, 0.0002480200000000, -0.0000212900000000 ] - [ -0.0003302300000000, 0.0011979500000000, -0.0000143500000000 ] - [ -0.0008050800000000, 0.0011438100000000, 0.0009502400000000 ] - [ 0.0007074200000000, 0.0000124300000000, -0.0000084800000000 ] - [ 0.0002736500000000, -0.0004231900000000, -0.0001378500000000 ] - [ -0.0057513800000000, -0.0012436900000000, -0.0023957000000000 ] - [ -0.0010200800000000, 0.0014007000000000, -0.0006533200000000 ] - [ -0.0075367200000000, 0.0016856600000000, -0.0001335600000000 ] - [ 0.0000096000000000, 0.0004025300000000, -0.0000197200000000 ] - [ 0.0002930600000000, 0.0003777900000000, -0.0001301800000000 ] - [ 0.0000184300000000, -0.0006171900000000, -0.0000356800000000 ] - [ 0.0002077000000000, 0.0004946400000000, -0.0000283900000000 ] - [ 0.0007977200000000, 0.0002149900000000, -0.0000694200000000 ] - [ -0.0000287500000000, -0.0011835000000000, -0.0009218400000000 ] - [ -0.0019874300000000, 0.0011135200000000, -0.0004200800000000 ] - [ 0.0000231200000000, 0.0002896500000000, 0.0002554600000000 ] - [ 0.0007303800000000, 0.0002740000000000, 0.0005751400000000 ] - [ 0.0003034900000000, 0.0004136500000000, -0.0001168300000000 ] - [ -0.0003649400000000, 0.0000345400000000, 0.0000492200000000 ] - [ -0.0010171200000000, 0.0000804000000000, -0.0002362500000000 ] - [ 0.0005169100000000, -0.0005296700000000, -0.0000559000000000 ] - [ -0.0019814700000000, 0.0013036700000000, -0.0000038800000000 ] - [ -0.0001269100000000, -0.0000158700000000, -0.0000729200000000 ] - [ -0.0020330600000000, -0.0000962400000000, 0.0014181600000000 ] - [ -0.0005604000000000, -0.0005248200000000, -0.0014641000000000 ] - [ -0.0002062600000000, -0.0003643800000000, 0.0000241700000000 ] - [ -0.0016434800000000, -0.0012649000000000, 0.0000437400000000 ] - [ 0.0000795000000000, 0.0004034600000000, 0.0000915100000000 ] - [ 0.0005580000000000, 0.0001363300000000, 0.0000360300000000 ] - [ -0.0006754600000000, 0.0003081300000000, 0.0001290200000000 ] - [ -0.0001941300000000, -0.0012659100000000, 0.0012550100000000 ] - [ 0.0009948900000000, 0.0000176600000000, 0.0004359600000000 ] - [ 0.0016506100000000, 0.0000559100000000, -0.0002999700000000 ] - [ 0.0005152600000000, -0.0005366300000000, -0.0005325600000000 ] - [ -0.0000120600000000, 0.0000117500000000, 0.0010852400000000 ] - [ 0.0004738300000000, -0.0002304900000000, 0.0000991200000000 ] - [ -0.0004080800000000, -0.0004498400000000, -0.0000592600000000 ] - [ 0.0001216100000000, 0.0004680300000000, -0.0000821900000000 ] - [ 0.0001048900000000, -0.0001884500000000, -0.0000203000000000 ] - [ 0.0003042700000000, 0.0004966700000000, 0.0000897400000000 ] - [ 0.0012691400000000, 0.0000087000000000, -0.0000580100000000 ] - [ -0.0000124200000000, 0.0002874400000000, -0.0000413500000000 ] - [ -0.0003207900000000, 0.0008769300000000, 0.0015383200000000 ] - [ -0.0007276200000000, 0.0002958500000000, -0.0001681300000000 ] - [ -0.0005465600000000, 0.0001647200000000, -0.0000873300000000 ] - [ 0.0010297600000000, -0.0000940900000000, -0.0003378700000000 ] - [ 0.0015884400000000, 0.0001423000000000, 0.0003928700000000 ] - [ 0.0009215300000000, -0.0002282800000000, 0.0002333400000000 ] - [ 0.0003067500000000, 0.0000651000000000, -0.0001390100000000 ] - [ -0.0000495900000000, -0.0007271000000000, -0.0000594200000000 ] - [ -0.0063327900000000, -0.0011989200000000, 0.0017950800000000 ] - [ 0.0009889000000000, -0.0003270300000000, -0.0000326800000000 ] - [ 0.0001160800000000, -0.0004120000000000, -0.0010260400000000 ] - [ 0.0000631300000000, -0.0004237100000000, 0.0001227800000000 ] - [ 0.0004229100000000, -0.0003926800000000, 0.0000477200000000 ] - [ -0.0014961200000000, -0.0003153600000000, -0.0013857100000000 ] - [ -0.0023172400000000, 0.0000690000000000, -0.0013628900000000 ] - [ 0.0024236200000000, 0.0009724000000000, 0.0000274400000000 ] - [ 0.0007424200000000, -0.0000640700000000, -0.0000686000000000 ] - [ -0.0000893300000000, 0.0004776400000000, 0.0012449800000000 ] - [ 0.0002019200000000, -0.0004806800000000, 0.0001197000000000 ] - [ 0.0002137200000000, -0.0004564000000000, -0.0000807400000000 ] - [ 0.0008218700000000, 0.0001407500000000, 0.0001809900000000 ] - [ 0.0003571400000000, -0.0003404800000000, -0.0001202200000000 ] - [ 0.0004069500000000, 0.0003198800000000, 0.0000616700000000 ] - [ -0.0003104600000000, 0.0002686700000000, 0.0000184200000000 ] - [ 0.0024013900000000, -0.0006012600000000, -0.0001014400000000 ] - [ 0.0000219700000000, 0.0004533400000000, -0.0003863600000000 ] - [ -0.0009616300000000, -0.0007032100000000, -0.0010567900000000 ] - [ 0.0002401600000000, -0.0004714600000000, -0.0000433200000000 ] - [ 0.0010052200000000, 0.0000150000000000, -0.0003022200000000 ] - [ -0.0006658600000000, -0.0001881200000000, -0.0002787200000000 ] - [ 0.0002836000000000, 0.0004117200000000, 0.0000542200000000 ] - [ 0.0018149500000000, 0.0003459300000000, -0.0004184100000000 ] - [ 0.0003444800000000, 0.0004703300000000, 0.0002416800000000 ] - [ -0.0002559600000000, -0.0001884400000000, 0.0001242300000000 ] - [ -0.0015051700000000, 0.0010313700000000, -0.0001914400000000 ] - [ 0.0014434300000000, 0.0001205400000000, 0.0001198900000000 ] - [ 0.0004956000000000, -0.0001660900000000, 0.0000257400000000 ] - [ 0.0001394800000000, -0.0002456800000000, 0.0000567200000000 ] - [ -0.0000367500000000, -0.0004609200000000, 0.0002053900000000 ] - [ 0.0002125800000000, -0.0004116300000000, 0.0000397600000000 ] - [ 0.0003717200000000, 0.0003094900000000, -0.0000005400000000 ] - [ 0.0018427400000000, 0.0001226600000000, 0.0001679800000000 ] - [ -0.0090632600000000, -0.0043912200000000, 0.0002946300000000 ] - [ 0.0001464200000000, -0.0000340400000000, -0.0003142000000000 ] - [ 0.0001281100000000, -0.0003051200000000, 0.0002316600000000 ] - [ 0.0006958300000000, -0.0002697300000000, -0.0001235200000000 ] - [ 0.0007422900000000, 0.0002873900000000, 0.0000856800000000 ] - [ 0.0000569000000000, -0.0004697800000000, -0.0000030600000000 ] - [ 0.0005282100000000, 0.0002130400000000, 0.0001432500000000 ] - [ -0.0001850400000000, 0.0000433900000000, -0.0011823300000000 ] - [ -0.0000096900000000, -0.0004933500000000, -0.0000588900000000 ] - [ -0.0006694600000000, 0.0000456000000000, 0.0003683500000000 ] - [ -0.0009339900000000, -0.0000696300000000, 0.0000740800000000 ] - [ -0.0018610100000000, 0.0006081600000000, 0.0018295900000000 ] - [ -0.0005344100000000, -0.0007183300000000, 0.0006405300000000 ] - [ -0.0003841300000000, 0.0008928200000000, 0.0008964600000000 ] - [ 0.0001927700000000, 0.0004503400000000, -0.0001861700000000 ] - [ 0.0002651200000000, 0.0004248000000000, -0.0000619600000000 ] - [ 0.0001050200000000, 0.0004176900000000, -0.0002682800000000 ] - [ 0.0006128400000000, -0.0004668600000000, 0.0001968300000000 ] - [ 0.0006788400000000, 0.0004824400000000, -0.0000155500000000 ] - [ -0.0016435500000000, -0.0024078800000000, 0.0007410000000000 ] - [ -0.0002223200000000, 0.0011446700000000, -0.0013925900000000 ] - [ 0.0003667100000000, -0.0005439700000000, -0.0001318000000000 ] - [ -0.0000138600000000, 0.0004650000000000, 0.0001060700000000 ] - [ -0.0024159400000000, -0.0023738600000000, -0.0003000900000000 ] - [ 0.0007623000000000, -0.0000367400000000, -0.0000367400000000 ] - [ -0.0000336100000000, -0.0004107700000000, -0.0001181200000000 ] - [ 0.0002375400000000, -0.0004052900000000, 0.0003954800000000 ] - [ 0.0003002200000000, -0.0004909200000000, 0.0000203300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002924800000000, 0.0008868900000000, -0.0004266100000000 ] - [ 0.0039173300000000, -0.0002003400000000, 0.0002423500000000 ] - [ 0.0003258500000000, -0.0000338800000000, -0.0004225900000000 ] - [ -0.0000842500000000, -0.0006963100000000, 0.0002292400000000 ] - [ -0.0001584200000000, 0.0001426600000000, -0.0001704000000000 ] - [ 0.0003087700000000, 0.0009766900000000, 0.0001971000000000 ] - [ 0.0002381400000000, -0.0007924700000000, -0.0000529700000000 ] - [ -0.0000929800000000, -0.0003021200000000, 0.0002462700000000 ] - [ -0.0061633800000000, -0.0409342400000000, 0.0000721700000000 ] - [ 0.0000732200000000, 0.0005160700000000, 0.0006830800000000 ] - [ 0.0000693800000000, -0.0002185700000000, -0.0006495300000000 ] - [ -0.0000975800000000, -0.0000459000000000, 0.0006413300000000 ] - [ 0.0001255000000000, 0.0007201200000000, 0.0006697100000000 ] - [ -0.0000934200000000, 0.0001439900000000, 0.0006453700000000 ] - [ -0.0000891300000000, 0.0000607100000000, -0.0006384700000000 ] - [ -0.0000688800000000, -0.0001686900000000, -0.0006412900000000 ] - [ 0.0001042000000000, -0.0000319300000000, -0.0006401600000000 ] - [ 0.0001138200000000, -0.0001363000000000, 0.0006286700000000 ] - [ 0.0001051400000000, 0.0001276900000000, -0.0006378300000000 ] - [ -0.0001717600000000, -0.0008998300000000, 0.0005702900000000 ] - [ 0.0001061500000000, 0.0000470700000000, 0.0006384400000000 ] - [ -0.0001698600000000, -0.0008079300000000, 0.0005592100000000 ] - [ -0.0001077000000000, 0.0003989500000000, -0.0006246600000000 ] - [ -0.0000995000000000, 0.0006894900000000, -0.0006680500000000 ] - [ 0.0005955200000000, 0.0000156400000000, -0.0000477400000000 ] - [ -0.0005351900000000, -0.0003535500000000, 0.0001744000000000 ] - [ 0.0000668100000000, 0.0004163000000000, 0.0000535400000000 ] - [ -0.0003779700000000, 0.0008809900000000, -0.0001045700000000 ] - [ 0.0003128400000000, 0.0007241000000000, -0.0001870800000000 ] - [ -0.0001713200000000, -0.0001524900000000, -0.0015577300000000 ] - [ 0.0001670500000000, -0.0004086700000000, 0.0000350800000000 ] - [ 0.0000410200000000, -0.0003978800000000, -0.0000471900000000 ] - [ 0.0019547600000000, 0.0045791800000000, -0.0003397900000000 ] - [ -0.0023229400000000, 0.0052103300000000, -0.0004204400000000 ] - [ -0.0004734100000000, 0.0000049400000000, 0.0000429100000000 ] - [ 0.0021021000000000, -0.0020707900000000, -0.0021794100000000 ] - [ -0.0005812500000000, 0.0007368800000000, -0.0001121000000000 ] - [ 0.0016724900000000, -0.0014580400000000, 0.0026241400000000 ] - [ 0.0006616800000000, 0.0000305800000000, 0.0003811500000000 ] - [ -0.0003303000000000, 0.0001134000000000, -0.0002005700000000 ] - [ -0.0002179200000000, -0.0007107900000000, 0.0002137400000000 ] - [ 0.0002279400000000, 0.0002162500000000, 0.0013839200000000 ] - [ -0.0022340800000000, -0.0028105300000000, -0.0032316100000000 ] - [ 0.0004067500000000, -0.0000466900000000, -0.0002457700000000 ] - [ -0.0029324400000000, -0.0028215100000000, 0.0038221800000000 ] - [ -0.0021392200000000, 0.0079492400000000, 0.0080821500000000 ] - [ 0.0004145400000000, 0.0006760800000000, -0.0001240300000000 ] - [ -0.0022228500000000, 0.0077543600000000, -0.0071331800000000 ] - [ 0.0035545300000000, 0.0073497600000000, 0.0073603000000000 ] - [ -0.0013159600000000, 0.0019864700000000, 0.0008843900000000 ] - [ 0.0020528100000000, 0.0075413700000000, -0.0071831800000000 ] - [ 0.0000907100000000, -0.0003364500000000, -0.0001569500000000 ] - [ -0.0000886900000000, -0.0004605200000000, -0.0001817300000000 ] - [ 0.0000176500000000, -0.0004111000000000, 0.0000535100000000 ] - [ 0.0007467700000000, 0.0015656700000000, 0.0007540700000000 ] - [ 0.0000179700000000, -0.0000781100000000, 0.0015562300000000 ] - [ 0.0010698800000000, -0.0004332700000000, -0.0002563700000000 ] - [ -0.0009823300000000, -0.0002035200000000, -0.0002891700000000 ] - [ -0.0006468100000000, 0.0001777600000000, -0.0014620500000000 ] - [ 0.0004779600000000, 0.0001770800000000, 0.0002602400000000 ] - [ -0.0058540500000000, -0.0022789900000000, -0.0001909200000000 ] - [ 0.0000645600000000, 0.0005512400000000, 0.0000909200000000 ] - [ 0.0012559300000000, 0.0019485000000000, -0.0005300600000000 ] - [ -0.0007750600000000, -0.0010714400000000, -0.0002048400000000 ] - [ -0.0009360200000000, 0.0014261500000000, -0.0005150400000000 ] - [ 0.0005372600000000, -0.0000064200000000, -0.0000379600000000 ] - [ -0.0000653100000000, 0.0004576600000000, 0.0001905400000000 ] - [ 0.0007993900000000, -0.0011466100000000, -0.0002079000000000 ] - [ -0.0005247300000000, 0.0000316700000000, 0.0001996700000000 ] - [ 0.0000274000000000, 0.0004099700000000, -0.0000829400000000 ] - [ 0.0062039400000000, -0.0029385200000000, -0.0003255400000000 ] - [ -0.0004950000000000, 0.0000043600000000, 0.0000690700000000 ] - [ -0.0002219900000000, 0.0001115000000000, -0.0000456000000000 ] - [ -0.0009589600000000, 0.0001904100000000, -0.0000476100000000 ] - [ -0.0000885700000000, -0.0000520300000000, -0.0003436100000000 ] - [ 0.0001764800000000, -0.0001271500000000, 0.0000257900000000 ] - [ 0.0001499000000000, -0.0006098300000000, -0.0000835500000000 ] - [ 0.0000467400000000, 0.0050549900000000, 0.0002312100000000 ] - [ -0.0001435800000000, 0.0002660300000000, 0.0004539400000000 ] - [ -0.0040287200000000, 0.0064196200000000, -0.0006874500000000 ] - [ -0.0002708300000000, 0.0002429100000000, 0.0000069700000000 ] - [ 0.0000217700000000, 0.0003529500000000, -0.0000911600000000 ] - [ 0.0012490700000000, -0.0006661000000000, 0.0000507900000000 ] - [ -0.0000199300000000, 0.0007110600000000, -0.0001681100000000 ] - [ 0.0003552900000000, 0.0002145000000000, -0.0000858100000000 ] - [ 0.0017604300000000, -0.0010818200000000, -0.0009850100000000 ] - [ -0.0011261700000000, -0.0019962500000000, -0.0013560600000000 ] - [ -0.0004121900000000, -0.0000439400000000, -0.0000552500000000 ] - [ 0.0000770200000000, 0.0007920300000000, -0.0000558900000000 ] - [ 0.0002296600000000, 0.0000531000000000, -0.0002124200000000 ] - [ -0.0000184800000000, -0.0019572600000000, 0.0000374900000000 ] - [ -0.0001957000000000, 0.0000268700000000, -0.0002086800000000 ] - [ 0.0000147300000000, -0.0003513700000000, -0.0001102400000000 ] - [ -0.0005901900000000, -0.0017043100000000, 0.0013253500000000 ] - [ 0.0005325300000000, 0.0002181700000000, 0.0000222900000000 ] - [ -0.0006106300000000, -0.0000322600000000, 0.0020843700000000 ] - [ -0.0001274100000000, 0.0007544200000000, 0.0003719700000000 ] - [ 0.0000357800000000, -0.0010800200000000, 0.0001625700000000 ] - [ -0.0006919900000000, -0.0017766100000000, -0.0000881300000000 ] - [ -0.0000442700000000, 0.0000271500000000, 0.0000787100000000 ] - [ 0.0001584900000000, 0.0001123500000000, 0.0000136200000000 ] - [ 0.0001744700000000, 0.0002841000000000, 0.0001036700000000 ] - [ 0.0013775800000000, -0.0008565700000000, 0.0010655500000000 ] - [ -0.0005946300000000, -0.0001397300000000, -0.0001268400000000 ] - [ 0.0007338700000000, 0.0005360800000000, -0.0001531600000000 ] - [ -0.0001238000000000, -0.0000684200000000, 0.0000603600000000 ] - [ 0.0007191000000000, -0.0006945600000000, 0.0016832600000000 ] - [ -0.0000176300000000, -0.0003564500000000, 0.0000609300000000 ] - [ -0.0001884600000000, -0.0010352800000000, -0.0000966800000000 ] - [ -0.0004011300000000, 0.0001781800000000, 0.0001498500000000 ] - [ -0.0002373600000000, -0.0001193200000000, 0.0000081400000000 ] - [ -0.0000325000000000, 0.0003407100000000, 0.0001319200000000 ] - [ 0.0007683700000000, 0.0000101900000000, -0.0000168700000000 ] - [ -0.0009341800000000, -0.0000388700000000, 0.0000570600000000 ] - [ 0.0000740000000000, 0.0016322400000000, -0.0002106700000000 ] - [ -0.0003274700000000, -0.0000385500000000, -0.0000436100000000 ] - [ -0.0001636200000000, -0.0018070700000000, -0.0003033200000000 ] - [ -0.0005290600000000, -0.0003760300000000, 0.0002298800000000 ] - [ 0.0005332700000000, 0.0007797800000000, 0.0002331400000000 ] - [ 0.0004090000000000, -0.0000459100000000, 0.0000615900000000 ] - [ -0.0004908600000000, -0.0002358300000000, -0.0001596100000000 ] - [ 0.0002544800000000, -0.0006309100000000, -0.0000716400000000 ] - [ -0.0002028900000000, 0.0059081000000000, -0.0002161400000000 ] - [ 0.0003997000000000, -0.0002406700000000, 0.0000472700000000 ] - [ 0.0009210600000000, -0.0010107400000000, -0.0014907400000000 ] - [ 0.0000045200000000, -0.0006196500000000, 0.0001916300000000 ] - [ 0.0002136500000000, -0.0001676800000000, 0.0002009800000000 ] - [ -0.0002277100000000, -0.0001938700000000, -0.0019523900000000 ] - [ 0.0002387200000000, 0.0003453600000000, 0.0019378300000000 ] - [ -0.0018943900000000, 0.0004417500000000, -0.0002705600000000 ] - [ 0.0003510600000000, 0.0000181200000000, 0.0000301500000000 ] - [ -0.0003156000000000, -0.0012628900000000, -0.0015079100000000 ] - [ 0.0001967700000000, 0.0001346600000000, -0.0002285600000000 ] - [ -0.0000038800000000, -0.0006814100000000, -0.0001845700000000 ] - [ 0.0003253300000000, 0.0002024400000000, 0.0000871700000000 ] - [ 0.0001131500000000, -0.0004226300000000, -0.0000749100000000 ] - [ -0.0002582400000000, 0.0003923900000000, -0.0000042700000000 ] - [ -0.0001942000000000, 0.0007614800000000, -0.0001095600000000 ] - [ 0.0018364400000000, -0.0002889000000000, -0.0002557200000000 ] - [ 0.0000021600000000, -0.0006434600000000, -0.0001724100000000 ] - [ 0.0008672500000000, 0.0000978700000000, -0.0003623300000000 ] - [ -0.0002753300000000, -0.0001383400000000, 0.0001830000000000 ] - [ 0.0002589500000000, -0.0002416600000000, -0.0000419000000000 ] - [ -0.0007861000000000, 0.0000785800000000, 0.0002502900000000 ] - [ 0.0002022900000000, -0.0006276400000000, 0.0002751300000000 ] - [ 0.0002356400000000, 0.0029895600000000, 0.0001634700000000 ] - [ -0.0000007600000000, 0.0008893900000000, 0.0001606900000000 ] - [ -0.0007513400000000, 0.0000064400000000, 0.0000179000000000 ] - [ 0.0002894700000000, -0.0021516900000000, -0.0001024500000000 ] - [ 0.0006549200000000, -0.0000373300000000, -0.0000663300000000 ] - [ 0.0002248500000000, -0.0001846200000000, -0.0000018900000000 ] - [ -0.0002629800000000, -0.0001851800000000, -0.0000429100000000 ] - [ -0.0001835600000000, -0.0006522400000000, 0.0001176900000000 ] - [ 0.0000390300000000, -0.0002870700000000, 0.0001057900000000 ] - [ -0.0003329300000000, 0.0001707700000000, -0.0000043100000000 ] - [ -0.0000414200000000, 0.0030747800000000, 0.0000560300000000 ] - [ 0.0068798800000000, 0.0100935700000000, -0.0005589000000000 ] - [ -0.0003399900000000, 0.0001753800000000, -0.0001458900000000 ] - [ -0.0002902100000000, 0.0000521900000000, -0.0000714800000000 ] - [ -0.0005381600000000, -0.0004680000000000, 0.0000794800000000 ] - [ 0.0005539700000000, 0.0002079900000000, 0.0001012400000000 ] - [ -0.0000288800000000, -0.0015149600000000, -0.0001944700000000 ] - [ 0.0000634100000000, 0.0004347100000000, 0.0000447400000000 ] - [ -0.0005017500000000, -0.0014504700000000, 0.0017612600000000 ] - [ -0.0002284400000000, -0.0002798800000000, -0.0002074600000000 ] - [ -0.0008411600000000, 0.0002012100000000, -0.0001365500000000 ] - [ 0.0000770600000000, -0.0006274600000000, -0.0000107500000000 ] - [ 0.0002421800000000, 0.0003628700000000, -0.0021382300000000 ] - [ 0.0013174900000000, 0.0000732700000000, 0.0001914600000000 ] - [ -0.0029500600000000, -0.0007689100000000, -0.0009998600000000 ] - [ 0.0000344200000000, 0.0002103400000000, -0.0001101400000000 ] - [ -0.0000608000000000, 0.0004199700000000, -0.0000931900000000 ] - [ -0.0001935400000000, 0.0008594600000000, -0.0000786100000000 ] - [ -0.0005007100000000, -0.0006963000000000, -0.0000237300000000 ] - [ 0.0005344200000000, 0.0004612500000000, -0.0000428500000000 ] - [ 0.0019418900000000, -0.0018272600000000, -0.0016745200000000 ] - [ -0.0022765600000000, -0.0011508300000000, 0.0010996200000000 ] - [ 0.0002393700000000, -0.0004955200000000, -0.0000667600000000 ] - [ -0.0002318500000000, 0.0002061300000000, 0.0002251600000000 ] - [ 0.0017222200000000, -0.0016024100000000, 0.0019085900000000 ] - [ 0.0002246100000000, 0.0002037400000000, 0.0000394000000000 ] - [ -0.0000117900000000, 0.0001418100000000, 0.0001290700000000 ] - [ 0.0002227400000000, -0.0014432700000000, 0.0000802000000000 ] - [ -0.0000806100000000, -0.0004213600000000, 0.0001276100000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002896300000000, 0.0000788400000000, -0.0000322300000000 ] - [ -0.0039210800000000, 0.0011943600000000, 0.0002123500000000 ] - [ -0.0003315000000000, -0.0009323300000000, -0.0000266200000000 ] - [ 0.0000856700000000, -0.0002726700000000, 0.0002260300000000 ] - [ 0.0001574100000000, 0.0008247300000000, -0.0002836300000000 ] - [ -0.0003101400000000, -0.0000094900000000, 0.0002563000000000 ] - [ -0.0002376400000000, -0.0001756700000000, -0.0004010800000000 ] - [ 0.0000942600000000, -0.0006644600000000, 0.0002085800000000 ] - [ 0.0050610000000000, 0.0407549800000000, -0.0013128800000000 ] - [ 0.0001248500000000, -0.0007023700000000, 0.0005956600000000 ] - [ 0.0001260300000000, 0.0004054400000000, -0.0006283400000000 ] - [ -0.0001020600000000, -0.0001402800000000, 0.0006361400000000 ] - [ 0.0000735200000000, -0.0005342800000000, 0.0006130100000000 ] - [ -0.0001040800000000, 0.0000421700000000, 0.0006324700000000 ] - [ -0.0001095300000000, 0.0001259000000000, -0.0006416000000000 ] - [ -0.0001292400000000, -0.0000171900000000, -0.0006385000000000 ] - [ 0.0000937500000000, -0.0001538000000000, -0.0006371900000000 ] - [ 0.0000848600000000, -0.0000498300000000, 0.0006516300000000 ] - [ 0.0000927400000000, 0.0000584700000000, -0.0006398700000000 ] - [ -0.0000299300000000, 0.0007139200000000, 0.0007137300000000 ] - [ 0.0000913400000000, 0.0001393000000000, 0.0006418600000000 ] - [ -0.0000344900000000, 0.0009955500000000, 0.0007106300000000 ] - [ -0.0000900200000000, -0.0002131200000000, -0.0006552700000000 ] - [ -0.0000959900000000, -0.0008761300000000, -0.0006126700000000 ] - [ 0.0004246800000000, -0.0000138800000000, 0.0000492000000000 ] - [ 0.0001474200000000, 0.0005715400000000, 0.0001708600000000 ] - [ -0.0000671300000000, 0.0003993600000000, -0.0000547300000000 ] - [ 0.0007713400000000, -0.0011044300000000, -0.0002417200000000 ] - [ -0.0007925100000000, -0.0012856500000000, -0.0002361100000000 ] - [ 0.0001683400000000, -0.0006588100000000, 0.0015626800000000 ] - [ -0.0005572700000000, 0.0001907300000000, 0.0003113800000000 ] - [ -0.0000391100000000, -0.0004153800000000, 0.0000476000000000 ] - [ -0.0015684600000000, -0.0043774400000000, -0.0000058400000000 ] - [ 0.0018334700000000, -0.0046217000000000, -0.0000039600000000 ] - [ -0.0005453600000000, -0.0000040800000000, -0.0000433700000000 ] - [ -0.0017139500000000, 0.0019058600000000, 0.0025158700000000 ] - [ 0.0010496900000000, -0.0001758200000000, -0.0003083000000000 ] - [ -0.0021587700000000, 0.0020732800000000, -0.0022059500000000 ] - [ -0.0001790200000000, 0.0005364700000000, 0.0000411900000000 ] - [ -0.0000632300000000, -0.0003360600000000, -0.0001458400000000 ] - [ 0.0007022600000000, 0.0001450000000000, 0.0002094200000000 ] - [ 0.0007900800000000, -0.0002128400000000, -0.0013870600000000 ] - [ 0.0026235600000000, 0.0029517000000000, 0.0035851300000000 ] - [ 0.0000722700000000, -0.0005139600000000, -0.0001754200000000 ] - [ 0.0024470300000000, 0.0021769300000000, -0.0033946300000000 ] - [ 0.0021926700000000, -0.0071769900000000, -0.0081149800000000 ] - [ -0.0008158800000000, -0.0004539800000000, -0.0002237000000000 ] - [ 0.0012648500000000, -0.0078088400000000, 0.0071699300000000 ] - [ -0.0024835600000000, -0.0073174700000000, -0.0073341400000000 ] - [ 0.0009250500000000, -0.0017659300000000, -0.0005398600000000 ] - [ -0.0020029000000000, -0.0066975800000000, 0.0071585200000000 ] - [ 0.0003035100000000, 0.0001170900000000, -0.0001888000000000 ] - [ -0.0003914400000000, -0.0001025200000000, -0.0002401200000000 ] - [ -0.0000160400000000, -0.0004045000000000, -0.0000538600000000 ] - [ -0.0011401000000000, -0.0017872900000000, -0.0004070700000000 ] - [ -0.0000219600000000, -0.0007395000000000, -0.0015557500000000 ] - [ -0.0006761500000000, 0.0006534700000000, -0.0000897200000000 ] - [ 0.0005040700000000, 0.0007672400000000, -0.0001343500000000 ] - [ -0.0003775500000000, -0.0001813600000000, 0.0014605400000000 ] - [ -0.0000837800000000, -0.0003987000000000, 0.0000855900000000 ] - [ 0.0063332100000000, 0.0028489400000000, -0.0002321400000000 ] - [ -0.0005441700000000, 0.0000137700000000, 0.0003311000000000 ] - [ -0.0007744200000000, -0.0013877300000000, 0.0009532900000000 ] - [ 0.0003818800000000, 0.0008542700000000, -0.0001420200000000 ] - [ 0.0014172000000000, -0.0019895500000000, 0.0009397100000000 ] - [ 0.0004837500000000, 0.0000057400000000, 0.0000380900000000 ] - [ 0.0004595300000000, -0.0002392700000000, 0.0001561900000000 ] - [ -0.0003207500000000, 0.0005807100000000, -0.0002146400000000 ] - [ 0.0000457200000000, -0.0005933100000000, 0.0002214000000000 ] - [ -0.0000273600000000, 0.0004035700000000, 0.0000825300000000 ] - [ -0.0066102000000000, 0.0031581000000000, -0.0000175400000000 ] - [ -0.0005249400000000, -0.0000059600000000, -0.0000689100000000 ] - [ -0.0002382900000000, 0.0001999700000000, 0.0000364800000000 ] - [ 0.0009664900000000, 0.0009339400000000, -0.0000978700000000 ] - [ 0.0008413800000000, 0.0000475800000000, 0.0003422300000000 ] - [ 0.0002809900000000, -0.0001845500000000, -0.0000362300000000 ] - [ 0.0002414800000000, -0.0002621300000000, -0.0002265500000000 ] - [ 0.0000213800000000, -0.0059266700000000, -0.0004682900000000 ] - [ 0.0008579500000000, 0.0001178300000000, -0.0002269800000000 ] - [ 0.0046421600000000, -0.0078257600000000, 0.0005015100000000 ] - [ 0.0002678200000000, 0.0004034600000000, -0.0000096700000000 ] - [ 0.0000635100000000, 0.0004248800000000, -0.0000921700000000 ] - [ -0.0012342700000000, 0.0000189800000000, -0.0000526700000000 ] - [ -0.0000359800000000, 0.0001728300000000, -0.0000894700000000 ] - [ 0.0003554900000000, 0.0001746800000000, -0.0001410400000000 ] - [ -0.0024748200000000, 0.0006929300000000, 0.0012074800000000 ] - [ 0.0018434900000000, 0.0016213500000000, 0.0011557900000000 ] - [ -0.0003386700000000, 0.0000417400000000, 0.0000527800000000 ] - [ 0.0003126300000000, 0.0000839800000000, 0.0003653100000000 ] - [ 0.0001623200000000, 0.0008233300000000, -0.0000949800000000 ] - [ 0.0000730200000000, 0.0028373300000000, 0.0002176500000000 ] - [ -0.0013466900000000, -0.0000260700000000, 0.0002080200000000 ] - [ -0.0000994700000000, -0.0004264100000000, -0.0000724200000000 ] - [ 0.0021352700000000, 0.0017240900000000, -0.0013506300000000 ] - [ -0.0000723700000000, -0.0005301100000000, -0.0000131400000000 ] - [ 0.0001537700000000, -0.0002869800000000, -0.0021025200000000 ] - [ -0.0002619800000000, -0.0016286400000000, -0.0000544000000000 ] - [ 0.0000187800000000, 0.0001963600000000, 0.0000974900000000 ] - [ 0.0002247500000000, 0.0020864600000000, 0.0000990100000000 ] - [ -0.0000092800000000, 0.0008574500000000, 0.0001785700000000 ] - [ 0.0003019000000000, 0.0001977300000000, -0.0000039700000000 ] - [ -0.0008865800000000, 0.0001080500000000, -0.0003276700000000 ] - [ -0.0021313400000000, 0.0008582500000000, -0.0010633500000000 ] - [ 0.0005912200000000, -0.0005112100000000, 0.0001291400000000 ] - [ -0.0007457800000000, 0.0001152200000000, 0.0001558300000000 ] - [ 0.0000675000000000, -0.0008133600000000, -0.0003186300000000 ] - [ -0.0006381600000000, 0.0014740000000000, -0.0015077900000000 ] - [ 0.0001010500000000, -0.0004220800000000, 0.0001222700000000 ] - [ -0.0002027700000000, 0.0001607000000000, -0.0002146800000000 ] - [ -0.0003113200000000, 0.0002112200000000, 0.0000761200000000 ] - [ -0.0002214100000000, -0.0001926000000000, 0.0000017100000000 ] - [ -0.0000538800000000, 0.0004363700000000, 0.0000506000000000 ] - [ 0.0007724300000000, -0.0000109500000000, 0.0000182900000000 ] - [ -0.0006082200000000, 0.0000368500000000, -0.0000586800000000 ] - [ -0.0000178700000000, -0.0007554000000000, -0.0000566400000000 ] - [ 0.0002437500000000, 0.0008164600000000, -0.0001392400000000 ] - [ -0.0002277700000000, 0.0026797300000000, -0.0000032000000000 ] - [ 0.0005228000000000, -0.0007550000000000, -0.0000849900000000 ] - [ -0.0005470400000000, 0.0003515200000000, -0.0000886600000000 ] - [ 0.0003402800000000, 0.0000435100000000, -0.0000588900000000 ] - [ -0.0002204500000000, -0.0001582200000000, -0.0000626100000000 ] - [ -0.0002537700000000, -0.0004936100000000, -0.0000730900000000 ] - [ -0.0001692800000000, -0.0050167800000000, 0.0005127600000000 ] - [ 0.0003111700000000, -0.0001513000000000, 0.0001761800000000 ] - [ -0.0004658300000000, 0.0013235800000000, 0.0014871300000000 ] - [ -0.0000588300000000, -0.0002613800000000, 0.0000664000000000 ] - [ 0.0001760600000000, -0.0007060700000000, 0.0001075900000000 ] - [ 0.0001440500000000, -0.0005911100000000, 0.0021414900000000 ] - [ -0.0006945500000000, -0.0000245900000000, -0.0019423700000000 ] - [ 0.0018958300000000, 0.0006841600000000, 0.0001248600000000 ] - [ 0.0003983200000000, -0.0000207500000000, -0.0000327800000000 ] - [ 0.0007747100000000, 0.0009543400000000, 0.0014938600000000 ] - [ 0.0001939700000000, -0.0010124500000000, -0.0000793700000000 ] - [ 0.0000578900000000, -0.0001974800000000, -0.0000721300000000 ] - [ 0.0003851800000000, 0.0001876200000000, 0.0001385100000000 ] - [ -0.0000278900000000, -0.0003544200000000, -0.0001080600000000 ] - [ 0.0002628600000000, 0.0002540600000000, 0.0000018600000000 ] - [ 0.0002791900000000, 0.0000179900000000, -0.0000738600000000 ] - [ -0.0018439900000000, -0.0003586100000000, 0.0002545000000000 ] - [ -0.0000568900000000, 0.0015250000000000, -0.0000848900000000 ] - [ -0.0001537200000000, 0.0002989900000000, 0.0001413700000000 ] - [ -0.0004365600000000, -0.0002514000000000, 0.0000424800000000 ] - [ 0.0004523500000000, -0.0001510600000000, -0.0001808500000000 ] - [ 0.0000351000000000, -0.0000762800000000, -0.0002484900000000 ] - [ 0.0001884500000000, 0.0014996700000000, 0.0000349700000000 ] - [ 0.0001585600000000, -0.0021189600000000, -0.0004716500000000 ] - [ 0.0000554300000000, -0.0000050500000000, 0.0000977300000000 ] - [ -0.0007916200000000, -0.0000060400000000, -0.0000177600000000 ] - [ -0.0003852500000000, 0.0013766000000000, -0.0000795300000000 ] - [ 0.0008867600000000, 0.0000366600000000, 0.0000655200000000 ] - [ 0.0002333100000000, -0.0001265700000000, 0.0000109000000000 ] - [ -0.0001950800000000, -0.0001254300000000, 0.0000326900000000 ] - [ -0.0002081900000000, -0.0002184800000000, 0.0001909300000000 ] - [ 0.0000154100000000, -0.0005921200000000, 0.0001520700000000 ] - [ -0.0001267400000000, 0.0001409400000000, 0.0000143900000000 ] - [ -0.0000091900000000, -0.0021962000000000, 0.0001991900000000 ] - [ -0.0057969400000000, -0.0091719100000000, 0.0005317600000000 ] - [ -0.0003734500000000, 0.0002161900000000, -0.0000791400000000 ] - [ -0.0004598300000000, -0.0000506400000000, 0.0000702700000000 ] - [ 0.0005338200000000, -0.0001780600000000, -0.0000775600000000 ] - [ -0.0005508200000000, 0.0004387700000000, -0.0000996700000000 ] - [ -0.0000270100000000, 0.0006300600000000, -0.0000651900000000 ] - [ 0.0000202100000000, 0.0003441900000000, 0.0001377100000000 ] - [ 0.0005877000000000, 0.0006741000000000, -0.0015740700000000 ] - [ -0.0001629000000000, -0.0005912700000000, -0.0001024400000000 ] - [ 0.0001298300000000, 0.0001925400000000, 0.0003584700000000 ] - [ -0.0005354500000000, 0.0003174600000000, 0.0000198600000000 ] - [ -0.0003263400000000, 0.0004242100000000, 0.0023154900000000 ] - [ 0.0002263800000000, -0.0000680700000000, -0.0001939700000000 ] - [ 0.0014070600000000, 0.0007707100000000, 0.0010057300000000 ] - [ 0.0000196500000000, 0.0006749000000000, -0.0001482100000000 ] - [ -0.0000257000000000, 0.0003581500000000, -0.0000898700000000 ] - [ -0.0001978800000000, 0.0000168900000000, -0.0002301000000000 ] - [ 0.0004966600000000, -0.0004287600000000, 0.0001688400000000 ] - [ -0.0005330000000000, 0.0006640800000000, 0.0001881700000000 ] - [ -0.0011766500000000, 0.0018158700000000, 0.0016397200000000 ] - [ 0.0015654600000000, 0.0007643100000000, -0.0013330700000000 ] - [ -0.0002433600000000, -0.0006299300000000, -0.0000782700000000 ] - [ -0.0001593500000000, 0.0006710300000000, 0.0000837900000000 ] - [ -0.0010024800000000, 0.0012032500000000, -0.0016521200000000 ] - [ 0.0002331300000000, 0.0001082500000000, -0.0000486700000000 ] - [ -0.0000431600000000, -0.0010274000000000, 0.0001286000000000 ] - [ 0.0001677900000000, 0.0005664000000000, 0.0002287600000000 ] - [ -0.0000047300000000, -0.0003567300000000, 0.0000561300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002555100000000, -0.0000374500000000, -0.0001393100000000 ] - [ 0.0000430700000000, 0.0005081900000000, -0.0030856600000000 ] - [ -0.0002018100000000, -0.0008541400000000, -0.0002383200000000 ] - [ 0.0000019500000000, -0.0004831400000000, 0.0017727400000000 ] - [ -0.0001710700000000, 0.0005093400000000, -0.0001536000000000 ] - [ -0.0000175500000000, 0.0004535400000000, 0.0000377300000000 ] - [ 0.0001765200000000, -0.0004746600000000, -0.0002019500000000 ] - [ 0.0000019600000000, -0.0004888500000000, 0.0004078900000000 ] - [ 0.0002705800000000, 0.0006211800000000, -0.0278327500000000 ] - [ 0.0001380000000000, -0.0001376400000000, 0.0006818600000000 ] - [ 0.0000973000000000, 0.0001042500000000, 0.0002328700000000 ] - [ -0.0000929400000000, -0.0000961400000000, 0.0006423700000000 ] - [ 0.0000824000000000, 0.0001219700000000, 0.0006523700000000 ] - [ -0.0001088700000000, 0.0001003100000000, 0.0006353300000000 ] - [ -0.0000991400000000, 0.0000922600000000, -0.0004291000000000 ] - [ -0.0001036900000000, -0.0000950900000000, -0.0008756600000000 ] - [ 0.0000983700000000, -0.0000949800000000, -0.0006729200000000 ] - [ 0.0001570500000000, -0.0000823200000000, 0.0006485400000000 ] - [ 0.0000959400000000, 0.0000927300000000, -0.0006043600000000 ] - [ -0.0014385400000000, -0.0000224500000000, 0.0019555000000000 ] - [ 0.0000364100000000, 0.0000920800000000, 0.0006373400000000 ] - [ 0.0015905500000000, 0.0000174000000000, 0.0021989800000000 ] - [ -0.0000904100000000, 0.0000792500000000, -0.0005438700000000 ] - [ -0.0001092400000000, -0.0001211900000000, -0.0007438500000000 ] - [ 0.0003185900000000, -0.0001358300000000, -0.0003313900000000 ] - [ 0.0019981700000000, 0.0000119500000000, -0.0000118000000000 ] - [ 0.0001993100000000, 0.0005100700000000, -0.0002928300000000 ] - [ 0.0001333400000000, 0.0002029400000000, 0.0013457200000000 ] - [ -0.0001771200000000, -0.0000558600000000, 0.0016079800000000 ] - [ 0.0010102300000000, -0.0016679500000000, 0.0022192600000000 ] - [ -0.0020096000000000, -0.0003410600000000, 0.0004421300000000 ] - [ -0.0002632000000000, -0.0005281600000000, 0.0002948800000000 ] - [ 0.0003014300000000, 0.0006162100000000, -0.0020210800000000 ] - [ -0.0003770100000000, 0.0008203000000000, -0.0035212000000000 ] - [ -0.0003013300000000, 0.0000913200000000, 0.0002858400000000 ] - [ -0.0017369700000000, -0.0071418400000000, 0.0063937900000000 ] - [ 0.0002119000000000, 0.0003958300000000, -0.0008445200000000 ] - [ 0.0010803700000000, 0.0069646600000000, 0.0051481500000000 ] - [ 0.0021068000000000, 0.0006530100000000, 0.0005180600000000 ] - [ -0.0002336800000000, 0.0000124200000000, 0.0002809000000000 ] - [ -0.0021730000000000, -0.0000631800000000, -0.0000756600000000 ] - [ -0.0002521500000000, 0.0010480200000000, 0.0020173200000000 ] - [ 0.0037008700000000, -0.0089634000000000, 0.0083620700000000 ] - [ 0.0002297300000000, -0.0001741200000000, 0.0003790400000000 ] - [ -0.0034659000000000, 0.0087748500000000, 0.0070264700000000 ] - [ -0.0022123000000000, 0.0039470800000000, -0.0016228300000000 ] - [ -0.0001568100000000, 0.0002267100000000, -0.0005548700000000 ] - [ 0.0018410900000000, -0.0037715900000000, -0.0021091700000000 ] - [ 0.0031667900000000, 0.0034497800000000, -0.0025228800000000 ] - [ -0.0004625400000000, 0.0001639800000000, 0.0001368800000000 ] - [ -0.0026861200000000, -0.0034308500000000, -0.0017413100000000 ] - [ 0.0002100400000000, -0.0000904900000000, -0.0000208100000000 ] - [ -0.0002406100000000, -0.0002545100000000, -0.0000271400000000 ] - [ -0.0002594300000000, -0.0002916000000000, 0.0003292600000000 ] - [ 0.0001511700000000, 0.0000324100000000, 0.0001136200000000 ] - [ 0.0009605900000000, 0.0010641100000000, 0.0026696300000000 ] - [ 0.0001173200000000, 0.0001537300000000, -0.0003467200000000 ] - [ -0.0002235200000000, 0.0003152300000000, -0.0003834700000000 ] - [ -0.0014368200000000, -0.0014052400000000, 0.0027950000000000 ] - [ 0.0002797900000000, -0.0000826300000000, 0.0001829600000000 ] - [ 0.0003980600000000, 0.0002290700000000, -0.0016772700000000 ] - [ -0.0003655400000000, 0.0002545600000000, 0.0002500600000000 ] - [ -0.0002171100000000, 0.0001013000000000, 0.0002904900000000 ] - [ -0.0000827100000000, -0.0000567800000000, 0.0004986800000000 ] - [ 0.0005868300000000, -0.0003500900000000, 0.0001210800000000 ] - [ 0.0007434100000000, -0.0001480500000000, 0.0003778000000000 ] - [ 0.0001116300000000, 0.0001206100000000, 0.0001552800000000 ] - [ 0.0001821900000000, -0.0002254200000000, 0.0005309600000000 ] - [ -0.0001533700000000, -0.0002771700000000, 0.0001728500000000 ] - [ 0.0002633200000000, 0.0002532700000000, -0.0003377100000000 ] - [ -0.0007732700000000, 0.0001394000000000, -0.0018996700000000 ] - [ -0.0007810200000000, 0.0001077900000000, -0.0003330300000000 ] - [ -0.0002460300000000, 0.0001424300000000, -0.0000082600000000 ] - [ -0.0000862300000000, 0.0005580900000000, 0.0001938700000000 ] - [ 0.0007681900000000, -0.0020272900000000, -0.0020616500000000 ] - [ 0.0005712500000000, 0.0000590600000000, 0.0000215200000000 ] - [ 0.0002223900000000, -0.0004409300000000, -0.0003164200000000 ] - [ -0.0016608900000000, -0.0011964500000000, 0.0025015800000000 ] - [ -0.0000423900000000, 0.0021785400000000, -0.0016673400000000 ] - [ -0.0001847500000000, -0.0004048500000000, 0.0048744400000000 ] - [ -0.0000217700000000, 0.0003410700000000, -0.0002457600000000 ] - [ 0.0000456600000000, 0.0003931400000000, -0.0003098600000000 ] - [ 0.0000892000000000, -0.0003007400000000, 0.0003487700000000 ] - [ -0.0002227600000000, 0.0004446700000000, -0.0004695000000000 ] - [ 0.0004264800000000, 0.0001588900000000, -0.0001836600000000 ] - [ -0.0002199700000000, -0.0000710800000000, 0.0005864900000000 ] - [ 0.0006823600000000, -0.0023319500000000, 0.0008999800000000 ] - [ -0.0006248500000000, -0.0004875500000000, -0.0005188300000000 ] - [ -0.0000371800000000, 0.0002662000000000, 0.0004909200000000 ] - [ 0.0001691800000000, 0.0004284700000000, 0.0000154500000000 ] - [ 0.0000912100000000, 0.0002697900000000, 0.0006336300000000 ] - [ -0.0003932400000000, 0.0000198400000000, -0.0002429300000000 ] - [ -0.0000390500000000, -0.0003878000000000, 0.0001065300000000 ] - [ 0.0002923700000000, 0.0017779300000000, 0.0007933000000000 ] - [ 0.0001739900000000, -0.0001660900000000, -0.0009942600000000 ] - [ -0.0009468900000000, 0.0024618000000000, -0.0014044400000000 ] - [ -0.0001578700000000, -0.0006848300000000, -0.0019811300000000 ] - [ -0.0000168600000000, -0.0004677300000000, -0.0002933400000000 ] - [ -0.0002016800000000, 0.0002052000000000, 0.0010960200000000 ] - [ -0.0000038000000000, 0.0004135900000000, 0.0002998700000000 ] - [ 0.0002185000000000, 0.0001573800000000, 0.0002009300000000 ] - [ -0.0007942100000000, 0.0001498100000000, -0.0003751400000000 ] - [ -0.0004904700000000, -0.0002354100000000, 0.0005311300000000 ] - [ -0.0025394900000000, -0.0009694000000000, -0.0002004900000000 ] - [ 0.0035224700000000, -0.0002494600000000, -0.0005314100000000 ] - [ 0.0002197600000000, -0.0002610700000000, 0.0002389500000000 ] - [ -0.0001567600000000, 0.0007010500000000, 0.0001550500000000 ] - [ -0.0002614800000000, -0.0005665900000000, 0.0000942400000000 ] - [ -0.0001390900000000, -0.0004239900000000, -0.0005078700000000 ] - [ -0.0000518200000000, 0.0005919000000000, -0.0002905700000000 ] - [ -0.0002273000000000, -0.0001534200000000, -0.0001763600000000 ] - [ -0.0000253100000000, 0.0004157100000000, 0.0001022900000000 ] - [ 0.0007144400000000, 0.0000197800000000, -0.0000708200000000 ] - [ -0.0005881700000000, 0.0002014500000000, 0.0002874100000000 ] - [ -0.0000363500000000, -0.0001244900000000, -0.0023172200000000 ] - [ -0.0000678400000000, 0.0004458300000000, -0.0013873300000000 ] - [ -0.0002832200000000, 0.0004751200000000, 0.0003102500000000 ] - [ 0.0026310900000000, 0.0003148500000000, -0.0000696000000000 ] - [ -0.0034090400000000, 0.0013942200000000, -0.0004802100000000 ] - [ 0.0004178500000000, -0.0000578900000000, 0.0001011400000000 ] - [ -0.0005427800000000, -0.0004838500000000, 0.0002278800000000 ] - [ 0.0000774200000000, -0.0005579100000000, -0.0003547400000000 ] - [ 0.0015674800000000, 0.0021783600000000, 0.0030017600000000 ] - [ 0.0003073400000000, -0.0001663000000000, 0.0001917800000000 ] - [ 0.0003878600000000, -0.0000202600000000, 0.0000153600000000 ] - [ -0.0000573400000000, -0.0004557900000000, -0.0000576500000000 ] - [ 0.0003740400000000, -0.0004690900000000, -0.0001884600000000 ] - [ 0.0007476600000000, -0.0027172100000000, -0.0011986700000000 ] - [ 0.0008012100000000, 0.0028660700000000, -0.0016370500000000 ] - [ 0.0001771600000000, 0.0005464800000000, 0.0001131600000000 ] - [ 0.0003285800000000, -0.0000598200000000, -0.0001097300000000 ] - [ -0.0000718700000000, -0.0004200600000000, 0.0001773700000000 ] - [ 0.0000146100000000, -0.0004096300000000, -0.0005490100000000 ] - [ 0.0000245800000000, -0.0004322600000000, -0.0000808600000000 ] - [ 0.0004186600000000, 0.0002179300000000, 0.0000305500000000 ] - [ 0.0000484100000000, -0.0003762600000000, 0.0001492100000000 ] - [ 0.0000181000000000, 0.0003238100000000, -0.0000895300000000 ] - [ 0.0000821600000000, 0.0003793900000000, -0.0013801200000000 ] - [ -0.0000543300000000, -0.0003496100000000, 0.0001638200000000 ] - [ 0.0000240400000000, 0.0004958500000000, -0.0002172600000000 ] - [ 0.0000746200000000, -0.0014298800000000, -0.0020773100000000 ] - [ -0.0006554600000000, 0.0002158700000000, 0.0005356900000000 ] - [ 0.0002857100000000, -0.0002302100000000, -0.0000330200000000 ] - [ -0.0000114200000000, -0.0000814500000000, -0.0003752400000000 ] - [ 0.0002610200000000, 0.0004640700000000, 0.0002255100000000 ] - [ 0.0011884900000000, 0.0004687000000000, 0.0006015600000000 ] - [ 0.0000262000000000, 0.0004290200000000, 0.0002190100000000 ] - [ -0.0010364600000000, 0.0002386900000000, -0.0003273800000000 ] - [ -0.0001009600000000, -0.0002127400000000, 0.0013271900000000 ] - [ 0.0008591000000000, 0.0000262600000000, 0.0000829600000000 ] - [ 0.0002450900000000, -0.0001475600000000, -0.0002267500000000 ] - [ -0.0001970400000000, -0.0001727100000000, 0.0000055600000000 ] - [ -0.0001980000000000, -0.0004541000000000, 0.0001119700000000 ] - [ 0.0000249600000000, -0.0004405100000000, 0.0000452200000000 ] - [ -0.0002091600000000, 0.0001580500000000, 0.0002090500000000 ] - [ -0.0010186300000000, 0.0004077300000000, 0.0010616900000000 ] - [ -0.0000927600000000, -0.0001097700000000, 0.0044272300000000 ] - [ -0.0000672400000000, -0.0001522700000000, -0.0005250400000000 ] - [ -0.0001000700000000, -0.0005127500000000, 0.0005455400000000 ] - [ 0.0002410900000000, -0.0003170200000000, 0.0000198300000000 ] - [ -0.0001866000000000, 0.0003209100000000, -0.0000086600000000 ] - [ -0.0000919200000000, -0.0004438300000000, -0.0000329200000000 ] - [ 0.0004306200000000, 0.0001972500000000, 0.0000805300000000 ] - [ 0.0003335200000000, 0.0000749000000000, -0.0000063900000000 ] - [ -0.0001916600000000, -0.0004284600000000, -0.0002303300000000 ] - [ -0.0008052600000000, 0.0001675900000000, -0.0001881900000000 ] - [ -0.0002069600000000, -0.0001436500000000, -0.0014598800000000 ] - [ -0.0010593400000000, -0.0026503900000000, -0.0016684200000000 ] - [ 0.0010115000000000, 0.0012671800000000, -0.0015654900000000 ] - [ -0.0010309800000000, 0.0001799100000000, 0.0005164000000000 ] - [ 0.0000340000000000, 0.0004681800000000, -0.0001789700000000 ] - [ -0.0000430000000000, 0.0003860100000000, -0.0003125700000000 ] - [ -0.0001870100000000, 0.0004270200000000, -0.0000802300000000 ] - [ -0.0001853000000000, -0.0005565800000000, 0.0001077200000000 ] - [ 0.0001620900000000, 0.0005685700000000, 0.0000607400000000 ] - [ 0.0001194300000000, -0.0034312400000000, 0.0020349500000000 ] - [ 0.0000482400000000, -0.0004063300000000, 0.0003148700000000 ] - [ -0.0000546700000000, -0.0005564300000000, -0.0001717200000000 ] - [ -0.0001889400000000, 0.0004362600000000, 0.0001952200000000 ] - [ 0.0009323300000000, 0.0028025800000000, 0.0016378800000000 ] - [ -0.0001921900000000, 0.0003874000000000, -0.0000390000000000 ] - [ 0.0001138100000000, -0.0004638500000000, -0.0002726100000000 ] - [ 0.0001481000000000, -0.0004778900000000, 0.0000893000000000 ] - [ -0.0000556300000000, -0.0003484300000000, 0.0000843000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002549400000000, 0.0010046200000000, -0.0003134400000000 ] - [ -0.0000109400000000, 0.0004704400000000, 0.0035399100000000 ] - [ 0.0002007400000000, -0.0001124700000000, -0.0002175300000000 ] - [ -0.0000029100000000, -0.0004840900000000, -0.0013183700000000 ] - [ 0.0001706000000000, 0.0004563800000000, -0.0002983400000000 ] - [ 0.0000149400000000, 0.0005121000000000, 0.0004150600000000 ] - [ -0.0001753400000000, -0.0004924300000000, -0.0002546900000000 ] - [ -0.0000003800000000, -0.0004777600000000, 0.0000464800000000 ] - [ 0.0009197900000000, -0.0007635800000000, 0.0266438800000000 ] - [ 0.0000610300000000, -0.0000487200000000, 0.0005996300000000 ] - [ 0.0000998100000000, 0.0000817900000000, -0.0015106400000000 ] - [ -0.0001060300000000, -0.0000901400000000, 0.0006355000000000 ] - [ 0.0001163000000000, 0.0000644000000000, 0.0006262600000000 ] - [ -0.0000897300000000, 0.0000862900000000, 0.0006418100000000 ] - [ -0.0000998000000000, 0.0000942300000000, -0.0008514500000000 ] - [ -0.0000953700000000, -0.0000911300000000, -0.0004045100000000 ] - [ 0.0001005200000000, -0.0000911200000000, -0.0006051100000000 ] - [ 0.0000410500000000, -0.0001040400000000, 0.0006317600000000 ] - [ 0.0001021300000000, 0.0000935700000000, -0.0006739100000000 ] - [ 0.0012575400000000, -0.0001645300000000, -0.0006915900000000 ] - [ 0.0001615300000000, 0.0000943500000000, 0.0006422300000000 ] - [ -0.0017678700000000, 0.0001678600000000, -0.0009060800000000 ] - [ -0.0001071900000000, 0.0001075100000000, -0.0007361500000000 ] - [ -0.0000893100000000, -0.0000651300000000, -0.0005372500000000 ] - [ 0.0007028700000000, 0.0001367100000000, 0.0003303200000000 ] - [ -0.0023963700000000, 0.0002072700000000, 0.0003599500000000 ] - [ -0.0002003700000000, 0.0003055900000000, 0.0002930900000000 ] - [ 0.0002561700000000, -0.0004200000000000, -0.0016929100000000 ] - [ -0.0003065800000000, -0.0005077900000000, -0.0020316900000000 ] - [ -0.0010082000000000, 0.0008409200000000, -0.0022126000000000 ] - [ 0.0016120500000000, 0.0001213300000000, -0.0000960600000000 ] - [ 0.0002630800000000, -0.0002862300000000, -0.0002958200000000 ] - [ 0.0000975500000000, -0.0003921600000000, 0.0016756900000000 ] - [ -0.0001002400000000, -0.0002601900000000, 0.0030973700000000 ] - [ -0.0007207600000000, -0.0000907300000000, -0.0002855800000000 ] - [ 0.0020981800000000, 0.0069101700000000, -0.0060325200000000 ] - [ 0.0002702800000000, 0.0001668100000000, 0.0004217700000000 ] - [ -0.0015872900000000, -0.0064120400000000, -0.0047370300000000 ] - [ -0.0016293400000000, -0.0000903400000000, -0.0000950400000000 ] - [ -0.0001611800000000, -0.0002330000000000, -0.0006282900000000 ] - [ 0.0026486600000000, -0.0004995800000000, 0.0004952400000000 ] - [ 0.0012771200000000, -0.0010574200000000, -0.0020207800000000 ] - [ -0.0033639400000000, 0.0092105200000000, -0.0080547800000000 ] - [ 0.0002502600000000, -0.0003873600000000, -0.0008007800000000 ] - [ 0.0029386200000000, -0.0093175400000000, -0.0065767900000000 ] - [ 0.0022253400000000, -0.0031356100000000, 0.0016863700000000 ] - [ -0.0002353600000000, -0.0000062500000000, 0.0002075200000000 ] - [ -0.0028501100000000, 0.0037667400000000, 0.0020477300000000 ] - [ -0.0021355100000000, -0.0034525300000000, 0.0024528700000000 ] - [ 0.0000688500000000, 0.0000578400000000, 0.0002133800000000 ] - [ 0.0026992900000000, 0.0042448100000000, 0.0018077700000000 ] - [ 0.0001844300000000, -0.0001293900000000, -0.0003259900000000 ] - [ -0.0002405600000000, -0.0003077100000000, -0.0003950900000000 ] - [ 0.0002589300000000, -0.0005239300000000, -0.0003309900000000 ] - [ -0.0005438000000000, -0.0002517700000000, 0.0002279300000000 ] - [ -0.0009592300000000, -0.0018651500000000, -0.0026613300000000 ] - [ 0.0002716100000000, 0.0000664500000000, 0.0000005700000000 ] - [ -0.0002616900000000, 0.0002482500000000, -0.0000413000000000 ] - [ 0.0004156900000000, 0.0014180900000000, -0.0028041500000000 ] - [ 0.0001128000000000, -0.0001384200000000, 0.0001615800000000 ] - [ 0.0000558200000000, 0.0003343600000000, 0.0012540800000000 ] - [ -0.0001176800000000, 0.0003098600000000, 0.0001732500000000 ] - [ 0.0007009200000000, 0.0004618400000000, 0.0001382000000000 ] - [ -0.0003068900000000, -0.0001637300000000, -0.0008461100000000 ] - [ -0.0001067200000000, -0.0002116400000000, 0.0002970400000000 ] - [ 0.0002772500000000, 0.0001482300000000, -0.0003774800000000 ] - [ 0.0002804700000000, 0.0000981300000000, 0.0001926300000000 ] - [ 0.0003033500000000, -0.0003380000000000, -0.0009537500000000 ] - [ -0.0003288300000000, -0.0002840900000000, 0.0002470300000000 ] - [ -0.0002646200000000, 0.0005621100000000, 0.0003394000000000 ] - [ 0.0003435500000000, 0.0000859800000000, 0.0015575400000000 ] - [ -0.0002414700000000, -0.0001084700000000, 0.0003309500000000 ] - [ -0.0002130100000000, 0.0001689300000000, -0.0000022500000000 ] - [ 0.0000815300000000, 0.0005666300000000, -0.0003394900000000 ] - [ -0.0000169600000000, 0.0020299300000000, 0.0020605000000000 ] - [ -0.0001123100000000, -0.0003696000000000, -0.0000313600000000 ] - [ 0.0001691400000000, -0.0004320300000000, 0.0000075400000000 ] - [ 0.0013104300000000, 0.0002975300000000, -0.0022523200000000 ] - [ 0.0007554000000000, -0.0017864000000000, 0.0018931300000000 ] - [ 0.0002220200000000, -0.0003459800000000, -0.0050631400000000 ] - [ 0.0000213300000000, 0.0003058100000000, 0.0002429800000000 ] - [ 0.0000404400000000, 0.0003843300000000, 0.0001260700000000 ] - [ -0.0000888200000000, -0.0003459500000000, -0.0003517100000000 ] - [ 0.0001685700000000, 0.0004397800000000, 0.0002108500000000 ] - [ 0.0002852900000000, 0.0002307500000000, -0.0000428000000000 ] - [ -0.0004856900000000, -0.0003223300000000, -0.0003689400000000 ] - [ 0.0000255900000000, 0.0019451900000000, -0.0011339800000000 ] - [ -0.0001241800000000, 0.0004863500000000, 0.0005166400000000 ] - [ 0.0004279300000000, 0.0006111800000000, -0.0001843700000000 ] - [ 0.0002220600000000, 0.0004474900000000, -0.0003243000000000 ] - [ -0.0000379200000000, 0.0006105500000000, -0.0003759200000000 ] - [ -0.0011518800000000, -0.0000169500000000, 0.0002396400000000 ] - [ -0.0000438100000000, -0.0003898400000000, -0.0002897400000000 ] - [ 0.0012460400000000, -0.0017750200000000, -0.0007852400000000 ] - [ 0.0002843900000000, -0.0001440100000000, 0.0010029300000000 ] - [ 0.0004881000000000, -0.0027405400000000, 0.0013828400000000 ] - [ -0.0002261500000000, -0.0001896500000000, 0.0022955800000000 ] - [ 0.0000718100000000, -0.0004168100000000, 0.0005500900000000 ] - [ -0.0002601900000000, 0.0000991900000000, -0.0010857000000000 ] - [ -0.0000505600000000, 0.0004706900000000, -0.0000421900000000 ] - [ 0.0002407200000000, 0.0001535100000000, -0.0001915500000000 ] - [ 0.0000800100000000, 0.0002451200000000, 0.0001532600000000 ] - [ -0.0002561100000000, 0.0002331500000000, -0.0005254200000000 ] - [ 0.0025471500000000, 0.0003230200000000, 0.0002023200000000 ] - [ -0.0035171000000000, 0.0008961400000000, 0.0005317500000000 ] - [ -0.0002747900000000, -0.0006198400000000, -0.0004951800000000 ] - [ 0.0002405000000000, 0.0000774900000000, 0.0000359700000000 ] - [ 0.0003461600000000, -0.0002108400000000, 0.0000876400000000 ] - [ -0.0002517400000000, -0.0004524000000000, 0.0001995100000000 ] - [ -0.0006586000000000, -0.0002013900000000, 0.0005157300000000 ] - [ -0.0002303700000000, -0.0001580600000000, 0.0001859100000000 ] - [ -0.0000600300000000, 0.0003613900000000, 0.0000809800000000 ] - [ 0.0008277300000000, -0.0000202200000000, 0.0000712800000000 ] - [ -0.0009537500000000, -0.0002015000000000, -0.0002875200000000 ] - [ 0.0000979900000000, 0.0010064400000000, 0.0020514600000000 ] - [ -0.0000146000000000, 0.0003351900000000, 0.0012027700000000 ] - [ -0.0001093500000000, 0.0003955600000000, -0.0006205800000000 ] - [ -0.0026237200000000, -0.0014391500000000, 0.0002146900000000 ] - [ 0.0034154300000000, -0.0002696900000000, 0.0006260800000000 ] - [ 0.0003324400000000, 0.0000544200000000, -0.0000975800000000 ] - [ -0.0001684200000000, 0.0000926300000000, -0.0004531800000000 ] - [ -0.0000737600000000, -0.0005680900000000, 0.0002092700000000 ] - [ -0.0023773200000000, -0.0013359000000000, -0.0032134200000000 ] - [ 0.0004048700000000, -0.0002263100000000, 0.0000303700000000 ] - [ 0.0000693900000000, 0.0003312100000000, -0.0000342500000000 ] - [ 0.0000033800000000, -0.0004250700000000, 0.0003143700000000 ] - [ 0.0000172600000000, -0.0004046500000000, 0.0004970000000000 ] - [ -0.0008347400000000, 0.0019681400000000, 0.0013890300000000 ] - [ -0.0012626500000000, -0.0025903600000000, 0.0016410300000000 ] - [ -0.0001648700000000, 0.0005807300000000, -0.0002576300000000 ] - [ 0.0004215800000000, 0.0000561000000000, 0.0001057400000000 ] - [ 0.0005303500000000, 0.0001090300000000, -0.0001781000000000 ] - [ 0.0003743900000000, -0.0004674700000000, 0.0002392900000000 ] - [ 0.0000297300000000, -0.0004468300000000, -0.0001756900000000 ] - [ 0.0002929400000000, 0.0001712700000000, 0.0001954100000000 ] - [ 0.0000358100000000, -0.0004017500000000, -0.0003329300000000 ] - [ -0.0000158800000000, 0.0003224000000000, 0.0000870300000000 ] - [ 0.0000006600000000, 0.0003988900000000, 0.0011962100000000 ] - [ 0.0000590000000000, -0.0002979400000000, -0.0001673300000000 ] - [ -0.0000783200000000, 0.0003843600000000, -0.0000424600000000 ] - [ 0.0006400900000000, 0.0018181400000000, 0.0018529700000000 ] - [ -0.0000558000000000, -0.0006089800000000, -0.0003136200000000 ] - [ 0.0004271400000000, -0.0001620500000000, -0.0001909200000000 ] - [ -0.0007424500000000, 0.0000798400000000, 0.0003737800000000 ] - [ 0.0001312100000000, 0.0004073200000000, 0.0000823000000000 ] - [ -0.0008002800000000, 0.0004001500000000, -0.0009208500000000 ] - [ 0.0000290400000000, 0.0004556400000000, 0.0000398800000000 ] - [ -0.0005043300000000, -0.0002395400000000, 0.0003273000000000 ] - [ 0.0000123000000000, -0.0005589900000000, -0.0015108100000000 ] - [ 0.0006841400000000, -0.0000266700000000, -0.0000833900000000 ] - [ 0.0002138400000000, -0.0001636200000000, 0.0002355300000000 ] - [ -0.0002599100000000, -0.0001382100000000, -0.0000152400000000 ] - [ -0.0001932300000000, -0.0004170400000000, 0.0001967100000000 ] - [ 0.0000296800000000, -0.0004386000000000, 0.0002119800000000 ] - [ -0.0002487000000000, 0.0001534500000000, -0.0001994400000000 ] - [ 0.0009628600000000, 0.0004718500000000, -0.0007950300000000 ] - [ 0.0004993000000000, 0.0003864900000000, -0.0044076400000000 ] - [ -0.0006437900000000, 0.0005425300000000, 0.0002991200000000 ] - [ -0.0006496600000000, 0.0005099300000000, -0.0005430300000000 ] - [ -0.0002438200000000, -0.0003294400000000, -0.0000190600000000 ] - [ 0.0001922500000000, 0.0003258400000000, 0.0000106900000000 ] - [ 0.0000374500000000, -0.0004415100000000, -0.0002251200000000 ] - [ -0.0003450900000000, 0.0005803400000000, 0.0001026400000000 ] - [ -0.0002480000000000, -0.0008534100000000, 0.0001779900000000 ] - [ -0.0001994900000000, -0.0004430400000000, -0.0000793800000000 ] - [ 0.0000896700000000, 0.0002223100000000, 0.0004118200000000 ] - [ -0.0002500700000000, -0.0001729200000000, 0.0014692200000000 ] - [ 0.0009689700000000, 0.0033888800000000, 0.0018339800000000 ] - [ 0.0005333700000000, -0.0012697600000000, 0.0015645900000000 ] - [ -0.0005043400000000, -0.0001748100000000, -0.0005071400000000 ] - [ 0.0000205000000000, 0.0004165900000000, -0.0000803100000000 ] - [ -0.0000426500000000, 0.0003915200000000, 0.0001291900000000 ] - [ -0.0002037000000000, 0.0004489700000000, -0.0002297900000000 ] - [ 0.0001826600000000, -0.0005688200000000, 0.0000380200000000 ] - [ -0.0001580200000000, 0.0005569100000000, 0.0000832300000000 ] - [ 0.0006307600000000, 0.0034261000000000, -0.0020259600000000 ] - [ -0.0007542900000000, 0.0000223200000000, -0.0005514100000000 ] - [ 0.0000492300000000, -0.0005686400000000, 0.0000260900000000 ] - [ -0.0002018400000000, 0.0004407600000000, 0.0001127100000000 ] - [ -0.0002235500000000, -0.0031994400000000, -0.0014224900000000 ] - [ 0.0006521200000000, -0.0000770400000000, 0.0000284700000000 ] - [ -0.0001702400000000, -0.0004211400000000, 0.0005308700000000 ] - [ 0.0002427000000000, -0.0003996000000000, 0.0002208500000000 ] - [ -0.0000285500000000, -0.0004299300000000, 0.0000981400000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008282100000000, -0.0005458200000000, -0.0016244500000000 ] - [ 0.0086577700000000, 0.0059441100000000, -0.0060910500000000 ] - [ 0.0086577700000000, -0.0059441100000000, 0.0060910500000000 ] - [ 0.0008282100000000, 0.0005458200000000, 0.0016244500000000 ] - [ 0.0011296800000000, 0.0006794400000000, 0.0016776500000000 ] - [ 0.0014948900000000, 0.0019421000000000, 0.0016789100000000 ] - [ 0.0014948900000000, -0.0019421000000000, -0.0016789100000000 ] - [ 0.0011296800000000, -0.0006794400000000, -0.0016776500000000 ] - [ 0.0011627600000000, -0.0000131000000000, -0.0008372900000000 ] - [ 0.0008560000000000, -0.0000709300000000, 0.0004107600000000 ] - [ 0.0008560000000000, 0.0000709300000000, -0.0004107600000000 ] - [ -0.0017407800000000, 0.0000399500000000, -0.0002831900000000 ] - [ 0.0011627600000000, 0.0000131000000000, 0.0008372900000000 ] - [ -0.0041378400000000, -0.0016397200000000, 0.0029941100000000 ] - [ -0.0017407800000000, -0.0000399500000000, 0.0002831900000000 ] - [ -0.0041378400000000, 0.0016397200000000, -0.0029941100000000 ] - [ -0.0025704700000000, 0.0029195700000000, 0.0020059400000000 ] - [ -0.0010405800000000, -0.0003834300000000, 0.0014080000000000 ] - [ -0.0010405800000000, 0.0003834300000000, -0.0014080000000000 ] - [ 0.0006617100000000, -0.0001338500000000, 0.0008540500000000 ] - [ -0.0025704700000000, -0.0029195700000000, -0.0020059400000000 ] - [ 0.0008869500000000, 0.0001126300000000, 0.0003751400000000 ] - [ 0.0006617100000000, 0.0001338500000000, -0.0008540500000000 ] - [ 0.0008869500000000, -0.0001126300000000, -0.0003751400000000 ] - [ -0.2414194400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0018723300000000, 0.0010634300000000, -0.0008879700000000 ] - [ -0.0207203000000000, 0.0082323700000000, 0.0083650500000000 ] - [ 0.0017407900000000, -0.0013088200000000, 0.0004556000000000 ] - [ 0.0019399300000000, -0.0000415500000000, 0.0008794700000000 ] - [ 0.0050100800000000, -0.0011632200000000, 0.0002731300000000 ] - [ 0.0055072500000000, 0.0371833400000000, 0.0431067800000000 ] - [ -0.0207203000000000, -0.0082323700000000, -0.0083650500000000 ] - [ 0.0093072900000000, -0.0000687200000000, -0.0016496600000000 ] - [ 0.0036597500000000, -0.0019160800000000, -0.0004980400000000 ] - [ -0.0052058000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0093072900000000, 0.0000687200000000, 0.0016496600000000 ] - [ -0.0020601800000000, -0.0089724100000000, -0.0024178900000000 ] - [ 0.0019399300000000, 0.0000415500000000, -0.0008794700000000 ] - [ -0.0019938900000000, 0.0021124100000000, -0.0029839300000000 ] - [ -0.0018723300000000, -0.0010634300000000, 0.0008879700000000 ] - [ -0.0020601800000000, 0.0089724100000000, 0.0024178900000000 ] - [ 0.0034807600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0017407900000000, 0.0013088200000000, -0.0004556000000000 ] - [ -0.0019938900000000, -0.0021124100000000, 0.0029839300000000 ] - [ 0.0036597500000000, 0.0019160800000000, 0.0004980400000000 ] - [ 0.0050100800000000, 0.0011632200000000, -0.0002731300000000 ] - [ 0.0055072500000000, -0.0371833400000000, -0.0431067800000000 ] - [ 0.0061402300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0046682100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0024423100000000, 0.0002087800000000, 0.0006735800000000 ] - [ 0.0037009700000000, -0.0000038500000000, 0.0002496400000000 ] - [ -0.0000356000000000, -0.0028561500000000, -0.0035355600000000 ] - [ -0.0012516900000000, -0.0015750400000000, -0.0010830500000000 ] - [ -0.0063679100000000, 0.0009069000000000, -0.0005823300000000 ] - [ 0.0035521500000000, 0.0023514000000000, -0.0004404500000000 ] - [ 0.0037009700000000, 0.0000038500000000, -0.0002496400000000 ] - [ -0.0014236200000000, -0.0095750300000000, 0.0023295700000000 ] - [ 0.0183882100000000, -0.0343961600000000, 0.0370974600000000 ] - [ 0.0021659300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0014236200000000, 0.0095750300000000, -0.0023295700000000 ] - [ 0.0114884300000000, -0.0005615900000000, -0.0002540400000000 ] - [ -0.0012516900000000, 0.0015750400000000, 0.0010830500000000 ] - [ 0.0022046500000000, 0.0008975600000000, 0.0006387400000000 ] - [ 0.0024423100000000, -0.0002087800000000, -0.0006735800000000 ] - [ 0.0114884300000000, 0.0005615900000000, 0.0002540400000000 ] - [ -0.0030058600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000356000000000, 0.0028561500000000, 0.0035355600000000 ] - [ 0.0022046500000000, -0.0008975600000000, -0.0006387400000000 ] - [ 0.0183882100000000, 0.0343961600000000, -0.0370974600000000 ] - [ -0.0063679100000000, -0.0009069000000000, 0.0005823300000000 ] - [ 0.0035521500000000, -0.0023514000000000, 0.0004404500000000 ] - [ -0.0079897200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0020365900000000, -0.0008385800000000, -0.0012050400000000 ] - [ -0.0097981100000000, 0.0040875300000000, 0.0043752600000000 ] - [ -0.0010166700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0199975200000000, 0.0047515300000000, -0.0004142300000000 ] - [ 0.0015288000000000, 0.0006280900000000, -0.0016012300000000 ] - [ -0.0015364800000000, -0.0016678100000000, -0.0005447000000000 ] - [ -0.0027058700000000, 0.0012356800000000, -0.0010804800000000 ] - [ -0.0026879800000000, -0.0011954400000000, -0.0000487300000000 ] - [ -0.0005652700000000, 0.0006088700000000, -0.0010038000000000 ] - [ 0.0028845500000000, 0.0004735600000000, 0.0002242100000000 ] - [ -0.0029340300000000, 0.0003293900000000, 0.0001947100000000 ] - [ 0.0007060500000000, -0.0001378700000000, -0.0000088300000000 ] - [ 0.0049664200000000, 0.0035062200000000, 0.0074331100000000 ] - [ -0.0033204700000000, -0.0010584000000000, -0.0009100700000000 ] - [ -0.0027058700000000, -0.0012356800000000, 0.0010804800000000 ] - [ 0.0019783800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0015288000000000, -0.0006280900000000, 0.0016012300000000 ] - [ 0.0015278400000000, 0.0096219500000000, 0.0052351200000000 ] - [ -0.0015364800000000, 0.0016678100000000, 0.0005447000000000 ] - [ -0.0027400200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0282334400000000, -0.0125308200000000, 0.0068335800000000 ] - [ -0.0038345800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0013182800000000, -0.0003077500000000, -0.0000453200000000 ] - [ -0.0032506300000000, 0.0007024600000000, -0.0000922700000000 ] - [ -0.0012031400000000, -0.0015887200000000, -0.0006323500000000 ] - [ -0.0005021600000000, -0.0003034100000000, 0.0000905700000000 ] - [ -0.0032506300000000, -0.0007024600000000, 0.0000922700000000 ] - [ 0.0002253200000000, 0.0117136800000000, 0.0029168900000000 ] - [ 0.0199975200000000, -0.0047515300000000, 0.0004142300000000 ] - [ -0.0033204700000000, 0.0010584000000000, 0.0009100700000000 ] - [ -0.0045579600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005652700000000, -0.0006088700000000, 0.0010038000000000 ] - [ -0.0029340300000000, -0.0003293900000000, -0.0001947100000000 ] - [ 0.0002253200000000, -0.0117136800000000, -0.0029168900000000 ] - [ -0.0026879800000000, 0.0011954400000000, 0.0000487300000000 ] - [ 0.0028845500000000, -0.0004735600000000, -0.0002242100000000 ] - [ -0.0016208800000000, 0.0005436500000000, -0.0017554300000000 ] - [ 0.0081065400000000, 0.0033797300000000, -0.0080603900000000 ] - [ 0.0020365900000000, 0.0008385800000000, 0.0012050400000000 ] - [ 0.0282334400000000, 0.0125308200000000, -0.0068335800000000 ] - [ 0.0027923600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.1237756600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005021600000000, 0.0003034100000000, -0.0000905700000000 ] - [ -0.0014162000000000, 0.0002120800000000, -0.0002988900000000 ] - [ -0.0012031400000000, 0.0015887200000000, 0.0006323500000000 ] - [ -0.0097981100000000, -0.0040875300000000, -0.0043752600000000 ] - [ -0.0002096100000000, 0.0007286500000000, 0.0000714500000000 ] - [ -0.0009351300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0081065400000000, -0.0033797300000000, 0.0080603900000000 ] - [ -0.0002096100000000, -0.0007286500000000, -0.0000714500000000 ] - [ -0.0016208800000000, -0.0005436500000000, 0.0017554300000000 ] - [ 0.0049664200000000, -0.0035062200000000, -0.0074331100000000 ] - [ -0.0013182800000000, 0.0003077500000000, 0.0000453200000000 ] - [ 0.0007060500000000, 0.0001378700000000, 0.0000088300000000 ] - [ 0.0015278400000000, -0.0096219500000000, -0.0052351200000000 ] - [ -0.0014162000000000, -0.0002120800000000, 0.0002988900000000 ] - [ -0.0015745600000000, -0.0000420400000000, -0.0000759600000000 ] - [ -0.0027642100000000, 0.0012963000000000, -0.0003715700000000 ] - [ 0.0019076800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0017155400000000, -0.0007889300000000, 0.0000963500000000 ] - [ -0.0004992900000000, -0.0003616300000000, 0.0002170500000000 ] - [ -0.0002502300000000, -0.0112018400000000, 0.0000229400000000 ] - [ 0.0033467600000000, -0.0022383900000000, 0.0016959800000000 ] - [ 0.0034471800000000, 0.0009177300000000, -0.0003952200000000 ] - [ -0.0009638800000000, 0.0003415200000000, 0.0003374100000000 ] - [ -0.0011641900000000, 0.0005819500000000, 0.0000557900000000 ] - [ -0.0136802600000000, 0.0012672100000000, -0.0026322200000000 ] - [ -0.0007030000000000, 0.0001290100000000, 0.0000040800000000 ] - [ -0.0016221400000000, -0.0002166500000000, -0.0005695400000000 ] - [ 0.0029057800000000, 0.0020534600000000, 0.0019282000000000 ] - [ 0.0033467600000000, 0.0022383900000000, -0.0016959800000000 ] - [ -0.0016297900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004992900000000, 0.0003616300000000, -0.0002170500000000 ] - [ -0.0010511300000000, 0.0017937600000000, -0.0007581100000000 ] - [ -0.0002502300000000, 0.0112018400000000, -0.0000229400000000 ] - [ 0.0013074000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0018258500000000, 0.0002472500000000, -0.0002065500000000 ] - [ 0.0043118700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0022589900000000, -0.0002128400000000, 0.0000837900000000 ] - [ 0.0029584100000000, -0.0020308800000000, 0.0002956800000000 ] - [ 0.0006808500000000, -0.0061646500000000, 0.0038658600000000 ] - [ 0.0004494100000000, 0.0004775100000000, 0.0002817100000000 ] - [ 0.0029584100000000, 0.0020308800000000, -0.0002956800000000 ] - [ -0.0012716600000000, 0.0019336500000000, 0.0004807200000000 ] - [ -0.0017155400000000, 0.0007889300000000, -0.0000963500000000 ] - [ 0.0029057800000000, -0.0020534600000000, -0.0019282000000000 ] - [ 0.0031218600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0009638800000000, -0.0003415200000000, -0.0003374100000000 ] - [ -0.0136802600000000, -0.0012672100000000, 0.0026322200000000 ] - [ -0.0012716600000000, -0.0019336500000000, -0.0004807200000000 ] - [ 0.0034471800000000, -0.0009177300000000, 0.0003952200000000 ] - [ -0.0011641900000000, -0.0005819500000000, -0.0000557900000000 ] - [ 0.0002355500000000, 0.0005888800000000, 0.0009259400000000 ] - [ -0.0024488400000000, -0.0005395800000000, 0.0007256200000000 ] - [ -0.0015745600000000, 0.0000420400000000, 0.0000759600000000 ] - [ -0.0018258500000000, -0.0002472500000000, 0.0002065500000000 ] - [ -0.0009328100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0033388500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004494100000000, -0.0004775100000000, -0.0002817100000000 ] - [ 0.0016894500000000, 0.0004233100000000, 0.0001512600000000 ] - [ 0.0006808500000000, 0.0061646500000000, -0.0038658600000000 ] - [ -0.0027642100000000, -0.0012963000000000, 0.0003715700000000 ] - [ -0.0016486000000000, 0.0001195200000000, -0.0001840900000000 ] - [ -0.0017187900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0024488400000000, 0.0005395800000000, -0.0007256200000000 ] - [ -0.0016486000000000, -0.0001195200000000, 0.0001840900000000 ] - [ 0.0002355500000000, -0.0005888800000000, -0.0009259400000000 ] - [ -0.0016221400000000, 0.0002166500000000, 0.0005695400000000 ] - [ 0.0022589900000000, 0.0002128400000000, -0.0000837900000000 ] - [ -0.0007030000000000, -0.0001290100000000, -0.0000040800000000 ] - [ -0.0010511300000000, -0.0017937600000000, 0.0007581100000000 ] - [ 0.0016894500000000, -0.0004233100000000, -0.0001512600000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008313900000000, 0.0015181600000000, 0.0011692300000000 ] - [ -0.0086173100000000, -0.0049466500000000, 0.0065183100000000 ] - [ -0.0086173100000000, 0.0049466500000000, -0.0065183100000000 ] - [ -0.0008313900000000, -0.0015181600000000, -0.0011692300000000 ] - [ -0.0011293200000000, 0.0002849700000000, -0.0021408100000000 ] - [ -0.0015033600000000, -0.0009796000000000, -0.0012363800000000 ] - [ -0.0015033600000000, 0.0009796000000000, 0.0012363800000000 ] - [ -0.0011293200000000, -0.0002849700000000, 0.0021408100000000 ] - [ -0.0009656000000000, -0.0001724100000000, -0.0004420900000000 ] - [ -0.0006581800000000, -0.0001147800000000, 0.0008686500000000 ] - [ -0.0006581800000000, 0.0001147800000000, -0.0008686500000000 ] - [ 0.0015380200000000, -0.0002202700000000, 0.0015596600000000 ] - [ -0.0009656000000000, 0.0001724100000000, 0.0004420900000000 ] - [ 0.0038984000000000, 0.0018405600000000, -0.0017044900000000 ] - [ 0.0015380200000000, 0.0002202700000000, -0.0015596600000000 ] - [ 0.0038984000000000, -0.0018405600000000, 0.0017044900000000 ] - [ 0.0028056100000000, -0.0031083900000000, -0.0032879100000000 ] - [ 0.0012563800000000, 0.0001879300000000, -0.0001294200000000 ] - [ 0.0012563800000000, -0.0001879300000000, 0.0001294200000000 ] - [ -0.0008639800000000, -0.0000519800000000, 0.0004244900000000 ] - [ 0.0028056100000000, 0.0031083900000000, 0.0032879100000000 ] - [ -0.0010896900000000, 0.0000733800000000, 0.0009050500000000 ] - [ -0.0008639800000000, 0.0000519800000000, -0.0004244900000000 ] - [ -0.0010896900000000, -0.0000733800000000, -0.0009050500000000 ] - [ 0.2340443400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0014723000000000, -0.0008662800000000, 0.0012336200000000 ] - [ 0.0207894100000000, -0.0072949700000000, -0.0079960300000000 ] - [ -0.0013531600000000, 0.0010936400000000, -0.0007976300000000 ] - [ -0.0024330400000000, -0.0005245100000000, -0.0012961600000000 ] - [ -0.0050217900000000, 0.0003483700000000, -0.0002701700000000 ] - [ -0.0057765000000000, -0.0371256100000000, -0.0424133700000000 ] - [ 0.0207894100000000, 0.0072949700000000, 0.0079960300000000 ] - [ -0.0089182000000000, 0.0002905500000000, 0.0013092500000000 ] - [ -0.0041433900000000, 0.0024847400000000, 0.0000797300000000 ] - [ 0.0042158100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0089182000000000, -0.0002905500000000, -0.0013092500000000 ] - [ 0.0025303700000000, 0.0095403400000000, 0.0019953000000000 ] - [ -0.0024330400000000, 0.0005245100000000, 0.0012961600000000 ] - [ 0.0024331900000000, -0.0015451900000000, 0.0033970900000000 ] - [ 0.0014723000000000, 0.0008662800000000, -0.0012336200000000 ] - [ 0.0025303700000000, -0.0095403400000000, -0.0019953000000000 ] - [ -0.0024728000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0013531600000000, -0.0010936400000000, 0.0007976300000000 ] - [ 0.0024331900000000, 0.0015451900000000, -0.0033970900000000 ] - [ -0.0041433900000000, -0.0024847400000000, -0.0000797300000000 ] - [ -0.0050217900000000, -0.0003483700000000, 0.0002701700000000 ] - [ -0.0057765000000000, 0.0371256100000000, 0.0424133700000000 ] - [ -0.0071694300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0036620300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0028384100000000, 0.0000089000000000, -0.0003331700000000 ] - [ -0.0037120900000000, 0.0008211400000000, -0.0002508400000000 ] - [ 0.0004655800000000, 0.0026355200000000, 0.0032126900000000 ] - [ 0.0007784200000000, 0.0009995700000000, 0.0006751300000000 ] - [ 0.0063878100000000, -0.0017213100000000, 0.0005817900000000 ] - [ -0.0039656000000000, -0.0025764000000000, 0.0007875300000000 ] - [ -0.0037120900000000, -0.0008211400000000, 0.0002508400000000 ] - [ 0.0018442200000000, 0.0098529400000000, -0.0026773100000000 ] - [ -0.0189454700000000, 0.0354051100000000, -0.0380083100000000 ] - [ -0.0031905900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0018442200000000, -0.0098529400000000, 0.0026773100000000 ] - [ -0.0110455900000000, 0.0011290600000000, -0.0001665300000000 ] - [ 0.0007784200000000, -0.0009995700000000, -0.0006751300000000 ] - [ -0.0017260800000000, -0.0003311200000000, -0.0002238500000000 ] - [ -0.0028384100000000, -0.0000089000000000, 0.0003331700000000 ] - [ -0.0110455900000000, -0.0011290600000000, 0.0001665300000000 ] - [ 0.0040320600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004655800000000, -0.0026355200000000, -0.0032126900000000 ] - [ -0.0017260800000000, 0.0003311200000000, 0.0002238500000000 ] - [ -0.0189454700000000, -0.0354051100000000, 0.0380083100000000 ] - [ 0.0063878100000000, 0.0017213100000000, -0.0005817900000000 ] - [ -0.0039656000000000, 0.0025764000000000, -0.0007875300000000 ] - [ 0.0070000900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0025200100000000, 0.0011212400000000, 0.0011717600000000 ] - [ 0.0098284100000000, -0.0029311800000000, -0.0044912200000000 ] - [ 0.0017697600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0194041700000000, -0.0055237500000000, -0.0002660100000000 ] - [ -0.0011233400000000, -0.0015160400000000, 0.0012970500000000 ] - [ 0.0015917100000000, 0.0007884800000000, 0.0002891500000000 ] - [ 0.0034251800000000, -0.0008444300000000, 0.0013035900000000 ] - [ 0.0027778700000000, 0.0004158800000000, -0.0001337900000000 ] - [ 0.0005856700000000, 0.0000389900000000, 0.0009991200000000 ] - [ -0.0027885000000000, 0.0002980000000000, -0.0003398000000000 ] - [ 0.0029406200000000, -0.0009762900000000, -0.0001970200000000 ] - [ -0.0007573400000000, 0.0010297300000000, -0.0002468200000000 ] - [ -0.0043449000000000, -0.0031333600000000, -0.0077104000000000 ] - [ 0.0026137300000000, 0.0006691000000000, 0.0011380000000000 ] - [ 0.0034251800000000, 0.0008444300000000, -0.0013035900000000 ] - [ -0.0027118700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0011233400000000, 0.0015160400000000, -0.0012970500000000 ] - [ -0.0011590000000000, -0.0087552400000000, -0.0055484700000000 ] - [ 0.0015917100000000, -0.0007884800000000, -0.0002891500000000 ] - [ 0.0011992500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0279831100000000, 0.0118160000000000, -0.0071736300000000 ] - [ 0.0053837600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0017810800000000, -0.0000066600000000, 0.0000536800000000 ] - [ 0.0027961700000000, -0.0010182200000000, 0.0000819000000000 ] - [ 0.0008113800000000, 0.0007152500000000, 0.0009397900000000 ] - [ 0.0005586100000000, -0.0005803900000000, 0.0001646900000000 ] - [ 0.0027961700000000, 0.0010182200000000, -0.0000819000000000 ] - [ -0.0002801400000000, -0.0108051500000000, -0.0026058200000000 ] - [ -0.0194041700000000, 0.0055237500000000, 0.0002660100000000 ] - [ 0.0026137300000000, -0.0006691000000000, -0.0011380000000000 ] - [ 0.0038165300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005856700000000, -0.0000389900000000, -0.0009991200000000 ] - [ 0.0029406200000000, 0.0009762900000000, 0.0001970200000000 ] - [ -0.0002801400000000, 0.0108051500000000, 0.0026058200000000 ] - [ 0.0027778700000000, -0.0004158800000000, 0.0001337900000000 ] - [ -0.0027885000000000, -0.0002980000000000, 0.0003398000000000 ] - [ 0.0012302900000000, -0.0014202100000000, 0.0014448300000000 ] - [ -0.0087750800000000, -0.0030204200000000, 0.0082540500000000 ] - [ -0.0025200100000000, -0.0011212400000000, -0.0011717600000000 ] - [ -0.0279831100000000, -0.0118160000000000, 0.0071736300000000 ] - [ -0.0012806700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.1156207100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005586100000000, 0.0005803900000000, -0.0001646900000000 ] - [ 0.0013364500000000, 0.0005701500000000, 0.0001136500000000 ] - [ 0.0008113800000000, -0.0007152500000000, -0.0009397900000000 ] - [ 0.0098284100000000, 0.0029311800000000, 0.0044912200000000 ] - [ 0.0002166200000000, 0.0003983500000000, 0.0000743600000000 ] - [ -0.0006343200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0087750800000000, 0.0030204200000000, -0.0082540500000000 ] - [ 0.0002166200000000, -0.0003983500000000, -0.0000743600000000 ] - [ 0.0012302900000000, 0.0014202100000000, -0.0014448300000000 ] - [ -0.0043449000000000, 0.0031333600000000, 0.0077104000000000 ] - [ 0.0017810800000000, 0.0000066600000000, -0.0000536800000000 ] - [ -0.0007573400000000, -0.0010297300000000, 0.0002468200000000 ] - [ -0.0011590000000000, 0.0087552400000000, 0.0055484700000000 ] - [ 0.0013364500000000, -0.0005701500000000, -0.0001136500000000 ] - [ 0.0011187400000000, 0.0003581900000000, 0.0000668100000000 ] - [ 0.0027763800000000, -0.0001735200000000, 0.0002272900000000 ] - [ -0.0011650000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0021795800000000, 0.0004771900000000, -0.0001062400000000 ] - [ 0.0008924100000000, -0.0005146800000000, -0.0005262200000000 ] - [ 0.0002832000000000, 0.0104007800000000, -0.0002974200000000 ] - [ -0.0026497000000000, 0.0026485700000000, -0.0014830000000000 ] - [ -0.0033662500000000, -0.0017033200000000, 0.0002102200000000 ] - [ 0.0009594800000000, 0.0003067500000000, -0.0003417000000000 ] - [ 0.0012510800000000, 0.0002000300000000, -0.0002402400000000 ] - [ 0.0136891900000000, -0.0019360900000000, 0.0026466900000000 ] - [ 0.0006491600000000, 0.0007523200000000, -0.0002576600000000 ] - [ 0.0023409700000000, 0.0006073900000000, 0.0003441000000000 ] - [ -0.0036242500000000, -0.0024414300000000, -0.0016998300000000 ] - [ -0.0026497000000000, -0.0026485700000000, 0.0014830000000000 ] - [ 0.0008827200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008924100000000, 0.0005146800000000, 0.0005262200000000 ] - [ 0.0014459500000000, -0.0009209300000000, 0.0004508200000000 ] - [ 0.0002832000000000, -0.0104007800000000, 0.0002974200000000 ] - [ -0.0028566100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0017442300000000, -0.0010292400000000, 0.0000229200000000 ] - [ -0.0027881400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0018033600000000, -0.0001070600000000, -0.0000751900000000 ] - [ -0.0034376400000000, 0.0017080900000000, -0.0003059100000000 ] - [ -0.0010882100000000, 0.0053438300000000, -0.0035966100000000 ] - [ -0.0004025900000000, -0.0013507800000000, -0.0000272000000000 ] - [ -0.0034376400000000, -0.0017080900000000, 0.0003059100000000 ] - [ 0.0012216000000000, -0.0010547100000000, -0.0002239700000000 ] - [ 0.0021795800000000, -0.0004771900000000, 0.0001062400000000 ] - [ -0.0036242500000000, 0.0024414300000000, 0.0016998300000000 ] - [ -0.0038753900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0009594800000000, -0.0003067500000000, 0.0003417000000000 ] - [ 0.0136891900000000, 0.0019360900000000, -0.0026466900000000 ] - [ 0.0012216000000000, 0.0010547100000000, 0.0002239700000000 ] - [ -0.0033662500000000, 0.0017033200000000, -0.0002102200000000 ] - [ 0.0012510800000000, -0.0002000300000000, 0.0002402400000000 ] - [ -0.0006341400000000, -0.0014602400000000, -0.0012444300000000 ] - [ 0.0017401500000000, 0.0009332200000000, -0.0005038500000000 ] - [ 0.0011187400000000, -0.0003581900000000, -0.0000668100000000 ] - [ 0.0017442300000000, 0.0010292400000000, -0.0000229200000000 ] - [ 0.0024849100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0018025200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004025900000000, 0.0013507800000000, 0.0000272000000000 ] - [ -0.0017806300000000, 0.0003595600000000, -0.0003373900000000 ] - [ -0.0010882100000000, -0.0053438300000000, 0.0035966100000000 ] - [ 0.0027763800000000, 0.0001735200000000, -0.0002272900000000 ] - [ 0.0016373700000000, 0.0010076100000000, 0.0003315100000000 ] - [ 0.0024708400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0017401500000000, -0.0009332200000000, 0.0005038500000000 ] - [ 0.0016373700000000, -0.0010076100000000, -0.0003315100000000 ] - [ -0.0006341400000000, 0.0014602400000000, 0.0012444300000000 ] - [ 0.0023409700000000, -0.0006073900000000, -0.0003441000000000 ] - [ -0.0018033600000000, 0.0001070600000000, 0.0000751900000000 ] - [ 0.0006491600000000, -0.0007523200000000, 0.0002576600000000 ] - [ 0.0014459500000000, 0.0009209300000000, -0.0004508200000000 ] - [ -0.0017806300000000, -0.0003595600000000, 0.0003373900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004373300000000, 0.0010238300000000, 0.0007151900000000 ] - [ 0.0018559100000000, -0.0007397600000000, -0.0012091900000000 ] - [ -0.0018934500000000, -0.0016757800000000, -0.0016777400000000 ] - [ 0.0004360800000000, 0.0000501500000000, 0.0011712900000000 ] - [ -0.0002930900000000, 0.0002332600000000, -0.0010294900000000 ] - [ 0.0007189300000000, 0.0014279900000000, 0.0009961800000000 ] - [ -0.0007251600000000, 0.0004579600000000, 0.0005497800000000 ] - [ 0.0002964700000000, -0.0007287700000000, -0.0005677700000000 ] - [ 0.0001480900000000, -0.0000794200000000, -0.0007755100000000 ] - [ -0.0000191900000000, -0.0000996100000000, 0.0007888900000000 ] - [ 0.0002172400000000, 0.0000855200000000, -0.0004908000000000 ] - [ 0.0000902000000000, 0.0000905300000000, 0.0020474600000000 ] - [ 0.0000479300000000, 0.0001065900000000, 0.0005040200000000 ] - [ -0.0041344900000000, 0.0078357000000000, -0.0031035100000000 ] - [ -0.0002875400000000, 0.0002687000000000, 0.0007727000000000 ] - [ 0.0039893200000000, 0.0077262200000000, -0.0044363000000000 ] - [ 0.0051896200000000, 0.0072053900000000, 0.0027908900000000 ] - [ 0.0000833700000000, 0.0001171600000000, -0.0004153800000000 ] - [ 0.0001217500000000, 0.0003106500000000, -0.0016885200000000 ] - [ -0.0001799600000000, -0.0000896400000000, 0.0005478600000000 ] - [ -0.0050462300000000, 0.0074611400000000, 0.0041141500000000 ] - [ -0.0001072300000000, 0.0000970900000000, 0.0007476100000000 ] - [ -0.0000210900000000, 0.0000960500000000, -0.0007304400000000 ] - [ -0.0000936600000000, -0.0000881600000000, -0.0005330800000000 ] - [ 0.0009119500000000, -0.1554924200000000, 0.0005916800000000 ] - [ 0.0000225500000000, 0.0020464900000000, -0.0004635400000000 ] - [ 0.0075237700000000, -0.0552844500000000, -0.0037244500000000 ] - [ 0.0000423700000000, 0.0002686800000000, -0.0000140800000000 ] - [ -0.0001848500000000, -0.0007662100000000, 0.0000949700000000 ] - [ 0.0007920100000000, -0.0008476200000000, 0.0000139000000000 ] - [ 0.0347426100000000, -0.0048727000000000, 0.0073156100000000 ] - [ -0.0074677200000000, -0.0560433500000000, -0.0037726600000000 ] - [ -0.0032269700000000, -0.0000798900000000, 0.0000911400000000 ] - [ -0.0022534600000000, 0.0014737900000000, -0.0007713600000000 ] - [ -0.0004930300000000, 0.0019178700000000, -0.0000513200000000 ] - [ 0.0035988100000000, -0.0002951500000000, 0.0004310400000000 ] - [ -0.0008739000000000, 0.0095764100000000, 0.0009243400000000 ] - [ -0.0003036400000000, -0.0001893700000000, 0.0005237500000000 ] - [ 0.0004522200000000, -0.0022975900000000, 0.0003086500000000 ] - [ -0.0004050800000000, 0.0018562000000000, -0.0008015200000000 ] - [ 0.0013726700000000, 0.0090127800000000, 0.0013758900000000 ] - [ 0.0005016200000000, -0.0000188200000000, 0.0000734600000000 ] - [ 0.0003452200000000, 0.0004669500000000, 0.0003319600000000 ] - [ -0.0000080000000000, -0.0028398700000000, -0.0001275700000000 ] - [ 0.0017839500000000, 0.0008888100000000, -0.0003471200000000 ] - [ -0.0008044800000000, -0.0000310700000000, 0.0000119900000000 ] - [ -0.0348995200000000, -0.0043977400000000, 0.0070025000000000 ] - [ -0.0005150200000000, -0.0008644100000000, -0.0002807000000000 ] - [ 0.0005012400000000, 0.0005949100000000, -0.0000361100000000 ] - [ -0.0002221100000000, -0.0003345100000000, 0.0000057600000000 ] - [ -0.0004776000000000, 0.0007452000000000, 0.0000270600000000 ] - [ -0.0001854800000000, -0.0023833800000000, 0.0003962400000000 ] - [ -0.0002572500000000, 0.0009067400000000, 0.0001629000000000 ] - [ -0.0014412000000000, 0.0030160000000000, 0.0003166600000000 ] - [ 0.0011129200000000, 0.0006158900000000, -0.0000626200000000 ] - [ 0.0004680000000000, -0.0000738400000000, 0.0000298000000000 ] - [ -0.0011993300000000, 0.0062973600000000, -0.0018678900000000 ] - [ -0.0284776100000000, -0.0069794600000000, -0.0033009900000000 ] - [ -0.0005091500000000, 0.0000684900000000, 0.0000578400000000 ] - [ 0.0015755300000000, 0.0060559700000000, -0.0015192100000000 ] - [ -0.0028028800000000, -0.0002434400000000, 0.0004111800000000 ] - [ -0.0002190200000000, 0.0014954500000000, 0.0005791000000000 ] - [ 0.0003522200000000, 0.0005151000000000, 0.0001446500000000 ] - [ -0.0001662700000000, -0.0005428500000000, -0.0003345900000000 ] - [ 0.0032434500000000, -0.0008209600000000, 0.0008403800000000 ] - [ 0.0005099800000000, 0.0005577300000000, 0.0000659800000000 ] - [ 0.0006059700000000, -0.0021472100000000, 0.0007280900000000 ] - [ 0.0001186400000000, -0.0000669000000000, -0.0002800500000000 ] - [ 0.0278400700000000, -0.0074956700000000, -0.0027699100000000 ] - [ 0.0014559600000000, 0.0038343500000000, 0.0002824100000000 ] - [ -0.0015204400000000, 0.0008289400000000, -0.0004098900000000 ] - [ -0.0005009100000000, 0.0066204500000000, -0.0000983500000000 ] - [ 0.0001985900000000, 0.0040477600000000, 0.0008554900000000 ] - [ 0.0072524100000000, 0.0028637400000000, 0.0009868800000000 ] - [ 0.0003767500000000, 0.0000157600000000, -0.0000934300000000 ] - [ -0.0060625600000000, 0.0437334300000000, 0.0102053300000000 ] - [ 0.0015071100000000, -0.0011468900000000, 0.0022697900000000 ] - [ -0.0003315700000000, -0.0007417600000000, 0.0001180100000000 ] - [ -0.0001979600000000, 0.0009118400000000, -0.0003624200000000 ] - [ 0.0005353100000000, 0.0000069700000000, -0.0000152800000000 ] - [ -0.0001761300000000, 0.0006252200000000, -0.0001140700000000 ] - [ -0.0004852100000000, 0.0032047200000000, -0.0016981000000000 ] - [ 0.0025676000000000, -0.0011275600000000, -0.0001097800000000 ] - [ 0.0000742100000000, 0.0011493500000000, -0.0004495400000000 ] - [ -0.0008310100000000, 0.0067392600000000, 0.0031520600000000 ] - [ 0.0001657800000000, 0.0002984700000000, 0.0005248100000000 ] - [ 0.0009199400000000, 0.0005201200000000, -0.0005877500000000 ] - [ -0.0003686700000000, 0.0001185400000000, 0.0002545700000000 ] - [ -0.0011241100000000, -0.0002562300000000, 0.0025875200000000 ] - [ 0.0025229200000000, -0.0019031600000000, -0.0016727200000000 ] - [ 0.0003901400000000, 0.0001303600000000, 0.0003674800000000 ] - [ -0.0007714500000000, 0.0000858100000000, 0.0000695100000000 ] - [ -0.0008882700000000, 0.0496329000000000, -0.0079943000000000 ] - [ 0.0007802600000000, 0.0009041800000000, 0.0007201000000000 ] - [ 0.0001278100000000, -0.0000642700000000, -0.0000040000000000 ] - [ -0.0008584900000000, 0.0003592300000000, 0.0001190900000000 ] - [ -0.0004917900000000, -0.0008547300000000, -0.0001114100000000 ] - [ 0.0000887000000000, -0.0003023800000000, -0.0001207700000000 ] - [ 0.0004040100000000, 0.0006768800000000, 0.0001292000000000 ] - [ 0.0048962400000000, -0.0040315200000000, -0.0019233900000000 ] - [ 0.0064708400000000, 0.0429803400000000, 0.0085506300000000 ] - [ -0.0008721200000000, 0.0006857600000000, 0.0002949800000000 ] - [ -0.0003680300000000, 0.0012048200000000, -0.0010646800000000 ] - [ 0.0001925600000000, -0.0000213600000000, -0.0001133400000000 ] - [ -0.0025797100000000, -0.0004810200000000, -0.0001107100000000 ] - [ -0.0050119000000000, -0.0048732000000000, -0.0022245000000000 ] - [ -0.0004422000000000, 0.0007887300000000, 0.0001675300000000 ] - [ 0.0005765400000000, 0.0024437600000000, -0.0015491000000000 ] - [ -0.0000989800000000, -0.0004798100000000, 0.0000581600000000 ] - [ -0.0006354300000000, 0.0092007800000000, -0.0042375500000000 ] - [ -0.0006814700000000, 0.0037483100000000, 0.0008960500000000 ] - [ 0.0004912600000000, 0.0491312500000000, -0.0060537500000000 ] - [ 0.0007578400000000, 0.0001215200000000, -0.0001379200000000 ] - [ -0.0011309700000000, 0.0192862000000000, 0.0048223900000000 ] - [ -0.0000327300000000, 0.0005814600000000, -0.0003769800000000 ] - [ -0.0001444300000000, 0.0004743200000000, -0.0001503100000000 ] - [ 0.0001013900000000, 0.0000146900000000, -0.0004214900000000 ] - [ -0.0072452700000000, 0.0017530800000000, 0.0011392200000000 ] - [ -0.0002822900000000, 0.0002583800000000, -0.0000031100000000 ] - [ 0.0006674600000000, 0.0183745500000000, -0.0101957100000000 ] - [ -0.0000862600000000, 0.0088056000000000, -0.0044740400000000 ] - [ 0.0002806000000000, -0.0008692300000000, -0.0001492500000000 ] - [ -0.0002858500000000, 0.0004021300000000, 0.0003615000000000 ] - [ 0.0015141400000000, 0.0063602300000000, 0.0034050700000000 ] - [ 0.0003360200000000, 0.0002526900000000, -0.0000126600000000 ] - [ -0.0001277400000000, 0.0002530300000000, -0.0001945700000000 ] - [ -0.0021700400000000, -0.0027236800000000, -0.0013505900000000 ] - [ 0.0000634800000000, -0.0003105300000000, 0.0000347100000000 ] - [ -0.0001925200000000, 0.0000720500000000, -0.0000371900000000 ] - [ 0.0018348800000000, -0.0003656600000000, -0.0000305500000000 ] - [ 0.0003736300000000, -0.0003566600000000, -0.0002365300000000 ] - [ -0.0000558900000000, -0.0004849900000000, 0.0000090700000000 ] - [ 0.0002564200000000, -0.0003260100000000, -0.0003343100000000 ] - [ -0.0042826300000000, -0.0033407400000000, 0.0017304800000000 ] - [ 0.0009077700000000, -0.0014937400000000, 0.0010772800000000 ] - [ -0.0002945500000000, -0.0051682200000000, -0.0004503200000000 ] - [ 0.0001297400000000, 0.0001688100000000, -0.0000764100000000 ] - [ -0.0000139900000000, 0.0003089000000000, -0.0001137100000000 ] - [ 0.0065612700000000, 0.0007428400000000, 0.0008299500000000 ] - [ -0.0000653500000000, 0.0004474700000000, 0.0000296800000000 ] - [ 0.0000270800000000, -0.0002611000000000, -0.0004244400000000 ] - [ -0.0008015900000000, -0.0019731800000000, -0.0011365800000000 ] - [ -0.0001955000000000, -0.0018947100000000, 0.0008627200000000 ] - [ -0.0003727900000000, -0.0000770500000000, -0.0000297700000000 ] - [ 0.0001367600000000, 0.0005475900000000, -0.0000233800000000 ] - [ 0.0004246400000000, 0.0002874400000000, -0.0000203500000000 ] - [ 0.0043639700000000, -0.0024470000000000, 0.0020129800000000 ] - [ -0.0007775300000000, -0.0003081600000000, 0.0001065900000000 ] - [ 0.0003033500000000, -0.0007480500000000, -0.0000701400000000 ] - [ 0.0007734100000000, -0.0020462300000000, -0.0009926500000000 ] - [ 0.0003337600000000, -0.0008862900000000, 0.0000749200000000 ] - [ -0.0002936200000000, -0.0045387000000000, 0.0003757500000000 ] - [ -0.0020100100000000, -0.0017271400000000, 0.0007415300000000 ] - [ -0.0001401800000000, -0.0001140800000000, 0.0005059800000000 ] - [ -0.0001637500000000, -0.0042442000000000, 0.0003955700000000 ] - [ 0.0002575800000000, 0.0000855200000000, -0.0000519900000000 ] - [ 0.0005217500000000, -0.0001702300000000, 0.0000190400000000 ] - [ 0.0000754000000000, -0.0015819500000000, -0.0013680400000000 ] - [ -0.0003797100000000, -0.0042714100000000, 0.0029543900000000 ] - [ -0.0001275500000000, -0.0004803000000000, -0.0000726500000000 ] - [ -0.0065182000000000, 0.0013985400000000, 0.0008088600000000 ] - [ -0.0003083600000000, -0.0007925000000000, -0.0003055400000000 ] - [ 0.0003688600000000, -0.0044058700000000, -0.0002778200000000 ] - [ 0.0001029500000000, -0.0004755900000000, 0.0000714900000000 ] - [ 0.0009051200000000, -0.0004172700000000, -0.0022675900000000 ] - [ -0.0006139300000000, -0.0002367200000000, 0.0003510300000000 ] - [ -0.0002639400000000, -0.0002468000000000, -0.0000286400000000 ] - [ -0.0003866400000000, 0.0000368500000000, 0.0001134400000000 ] - [ 0.0007762500000000, -0.0001427500000000, -0.0000966900000000 ] - [ -0.0007689600000000, -0.0005047700000000, -0.0002644300000000 ] - [ 0.0001903900000000, 0.0007548700000000, 0.0002524400000000 ] - [ 0.0001101800000000, -0.0002613700000000, -0.0002643600000000 ] - [ 0.0016417900000000, -0.0008694500000000, 0.0004460100000000 ] - [ -0.0018183700000000, -0.0014887600000000, 0.0001147200000000 ] - [ -0.0000118900000000, 0.0008628500000000, 0.0002420200000000 ] - [ 0.0003753000000000, -0.0011416500000000, 0.0009831400000000 ] - [ -0.0000940200000000, -0.0006308600000000, 0.0001290200000000 ] - [ 0.0000022700000000, -0.0002637000000000, 0.0000959200000000 ] - [ -0.0012909800000000, 0.0004457900000000, -0.0019401900000000 ] - [ 0.0006905800000000, -0.0006506700000000, -0.0001979100000000 ] - [ 0.0001195600000000, -0.0005626700000000, 0.0000727200000000 ] - [ 0.0000121200000000, -0.0004313400000000, 0.0002840400000000 ] - [ -0.0000295500000000, -0.0005843300000000, 0.0002868900000000 ] - [ -0.0001973800000000, -0.0010498600000000, -0.0000716900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006960400000000, 0.0008681000000000, 0.0019492000000000 ] - [ -0.0021996900000000, -0.0015239400000000, -0.0028449600000000 ] - [ 0.0021575700000000, -0.0024683100000000, -0.0033386800000000 ] - [ 0.0006935600000000, -0.0001053600000000, 0.0023918300000000 ] - [ 0.0013157300000000, -0.0004941900000000, 0.0025085500000000 ] - [ 0.0004351500000000, 0.0002861100000000, -0.0016589500000000 ] - [ -0.0004388600000000, -0.0006801800000000, -0.0021149400000000 ] - [ -0.0013250900000000, -0.0014684200000000, 0.0029610900000000 ] - [ 0.0002236300000000, -0.0001419000000000, -0.0009700800000000 ] - [ 0.0000631100000000, -0.0000547900000000, 0.0010188500000000 ] - [ 0.0001330600000000, 0.0001310500000000, -0.0002626700000000 ] - [ -0.0008624100000000, 0.0013624600000000, 0.0034416500000000 ] - [ -0.0000288000000000, 0.0000434800000000, 0.0003079700000000 ] - [ 0.0048022300000000, -0.0070715500000000, -0.0014473300000000 ] - [ 0.0006765400000000, 0.0015597600000000, 0.0021552700000000 ] - [ -0.0049738800000000, -0.0072324200000000, -0.0027123800000000 ] - [ 0.0056315100000000, 0.0072353900000000, -0.0031219000000000 ] - [ 0.0011382400000000, -0.0014728700000000, 0.0026603900000000 ] - [ -0.0009437000000000, -0.0012975600000000, 0.0013776900000000 ] - [ -0.0001093600000000, -0.0001361300000000, 0.0009252600000000 ] - [ -0.0054519900000000, 0.0074586700000000, -0.0018521700000000 ] - [ 0.0000497500000000, 0.0001613400000000, 0.0003062100000000 ] - [ -0.0000907900000000, 0.0000488000000000, -0.0003547600000000 ] - [ -0.0002503700000000, -0.0000239500000000, -0.0009727600000000 ] - [ 0.0010620600000000, 0.0005890900000000, -0.2827066900000000 ] - [ -0.0011634000000000, -0.0029103000000000, 0.0028734200000000 ] - [ 0.0059700500000000, -0.0024590000000000, 0.1000486400000000 ] - [ 0.0012685800000000, -0.0002959200000000, 0.0003094400000000 ] - [ 0.0022995700000000, -0.0004946800000000, 0.0014614300000000 ] - [ 0.0001403700000000, -0.0005337100000000, 0.0002546800000000 ] - [ 0.0463003500000000, 0.0091451600000000, -0.0066842000000000 ] - [ -0.0060805300000000, -0.0033575500000000, 0.1016230400000000 ] - [ -0.0052681000000000, 0.0008165800000000, -0.0005182600000000 ] - [ -0.0024666700000000, 0.0017180000000000, -0.0014958700000000 ] - [ -0.0004968900000000, 0.0000512900000000, 0.0275628600000000 ] - [ 0.0056317200000000, 0.0006047800000000, -0.0001852800000000 ] - [ -0.0010100200000000, 0.0084198400000000, -0.0033407400000000 ] - [ -0.0027639100000000, 0.0000869100000000, 0.0018947600000000 ] - [ -0.0051291600000000, -0.0034926000000000, 0.0108589100000000 ] - [ 0.0007796000000000, -0.0031392800000000, 0.0025215500000000 ] - [ 0.0014915100000000, 0.0078024700000000, -0.0029194600000000 ] - [ 0.0005015000000000, -0.0000728200000000, 0.0018423200000000 ] - [ -0.0008753300000000, -0.0000878500000000, 0.0006599900000000 ] - [ 0.0056485000000000, -0.0040886600000000, 0.0104230100000000 ] - [ 0.0019777200000000, 0.0011356200000000, -0.0010712900000000 ] - [ -0.0001552000000000, 0.0002821600000000, 0.0002625700000000 ] - [ -0.0464928000000000, 0.0094232400000000, -0.0067905700000000 ] - [ -0.0005168800000000, -0.0002794600000000, -0.0023576100000000 ] - [ 0.0004994000000000, -0.0000367800000000, -0.0014194400000000 ] - [ 0.0022116300000000, 0.0008605100000000, 0.0008560800000000 ] - [ -0.0001084300000000, 0.0004103200000000, 0.0001029500000000 ] - [ -0.0068000500000000, 0.0053352500000000, 0.0089885600000000 ] - [ -0.0007603200000000, 0.0032627100000000, 0.0026125800000000 ] - [ -0.0002146800000000, -0.0001152100000000, 0.0019991000000000 ] - [ -0.0017841500000000, -0.0009191100000000, -0.0000328200000000 ] - [ 0.0000955000000000, -0.0004087800000000, 0.0000982100000000 ] - [ 0.0022238100000000, -0.0054498200000000, -0.0019710800000000 ] - [ 0.0347202800000000, -0.0021386200000000, -0.0107607300000000 ] - [ -0.0005106200000000, -0.0000576600000000, 0.0012268500000000 ] - [ -0.0018309800000000, -0.0056741700000000, -0.0016311400000000 ] - [ 0.0048042600000000, 0.0005114100000000, -0.0020181200000000 ] - [ 0.0002870300000000, 0.0038188800000000, 0.0030438700000000 ] - [ 0.0013397200000000, 0.0007727900000000, 0.0011480100000000 ] - [ -0.0026218900000000, 0.0006521200000000, 0.0005099000000000 ] - [ -0.0043578300000000, -0.0000679500000000, -0.0015922600000000 ] - [ 0.0005116100000000, -0.0000661000000000, 0.0052258100000000 ] - [ 0.0071438800000000, 0.0055289800000000, 0.0093256100000000 ] - [ -0.0008780500000000, 0.0001971000000000, 0.0007188300000000 ] - [ -0.0352510300000000, -0.0027740200000000, -0.0103657800000000 ] - [ 0.0002348300000000, 0.0007047300000000, 0.0020087200000000 ] - [ 0.0013837400000000, -0.0007032900000000, -0.0003760000000000 ] - [ -0.0004951000000000, -0.0000979700000000, -0.0090023300000000 ] - [ -0.0037382800000000, -0.0024825200000000, -0.0178375900000000 ] - [ 0.0112044100000000, 0.0026221300000000, 0.0026369800000000 ] - [ 0.0003750200000000, -0.0011803700000000, -0.0015183200000000 ] - [ -0.0110306700000000, 0.0235094900000000, 0.0280480300000000 ] - [ -0.0020278300000000, 0.0026522600000000, -0.0024167900000000 ] - [ -0.0002599200000000, -0.0009446100000000, 0.0009754100000000 ] - [ -0.0004814300000000, 0.0007127500000000, -0.0003549500000000 ] - [ -0.0006526500000000, -0.0006094600000000, 0.0005406100000000 ] - [ -0.0038657300000000, 0.0007135400000000, -0.0008714700000000 ] - [ -0.0014817700000000, 0.0030551700000000, -0.0188987000000000 ] - [ 0.0026866300000000, -0.0010734100000000, 0.0002999200000000 ] - [ 0.0001985900000000, 0.0026052400000000, -0.0030037900000000 ] - [ 0.0131676200000000, -0.0026717200000000, -0.0062817500000000 ] - [ -0.0010043600000000, -0.0004575600000000, -0.0001585800000000 ] - [ 0.0012026800000000, 0.0003269100000000, -0.0005871900000000 ] - [ -0.0003849700000000, -0.0044915700000000, -0.0077725900000000 ] - [ 0.0024042900000000, 0.0035130300000000, -0.0021103400000000 ] - [ 0.0039090700000000, -0.0053479600000000, -0.0010617600000000 ] - [ 0.0003194600000000, -0.0000677900000000, 0.0012262900000000 ] - [ -0.0007688300000000, 0.0004649600000000, -0.0009789900000000 ] - [ -0.0036085700000000, -0.0227017600000000, 0.0268318000000000 ] - [ 0.0007811200000000, 0.0011176300000000, 0.0016238500000000 ] - [ 0.0005933900000000, 0.0000109400000000, -0.0006985000000000 ] - [ -0.0011338200000000, 0.0003279300000000, 0.0007659000000000 ] - [ -0.0005981100000000, -0.0013180900000000, -0.0001985100000000 ] - [ -0.0000938300000000, 0.0000285900000000, -0.0007063300000000 ] - [ 0.0006829000000000, 0.0006465300000000, 0.0007732900000000 ] - [ 0.0023427000000000, -0.0047879300000000, 0.0060790600000000 ] - [ 0.0115226200000000, 0.0218937900000000, 0.0259881300000000 ] - [ 0.0003012400000000, -0.0000653600000000, -0.0003818000000000 ] - [ -0.0003685700000000, -0.0018629400000000, 0.0021279200000000 ] - [ 0.0038449500000000, 0.0000642200000000, -0.0008740100000000 ] - [ -0.0026683100000000, -0.0004227900000000, 0.0003031700000000 ] - [ -0.0024157100000000, -0.0056081300000000, 0.0058395300000000 ] - [ 0.0007443000000000, 0.0001726100000000, 0.0007269700000000 ] - [ 0.0015456400000000, 0.0022839000000000, -0.0186706000000000 ] - [ -0.0004110600000000, -0.0002200200000000, -0.0001525100000000 ] - [ -0.0128563600000000, 0.0037576300000000, -0.0066123800000000 ] - [ 0.0033023000000000, -0.0027913700000000, -0.0178854000000000 ] - [ 0.0030403400000000, -0.0237398700000000, 0.0288720700000000 ] - [ 0.0007787400000000, 0.0022137000000000, -0.0057591700000000 ] - [ -0.0011053700000000, 0.0071312500000000, 0.0251351400000000 ] - [ 0.0001486500000000, 0.0009067100000000, -0.0009605000000000 ] - [ -0.0004409200000000, 0.0003035700000000, -0.0007761200000000 ] - [ 0.0002096300000000, -0.0004476800000000, -0.0005119200000000 ] - [ -0.0111752500000000, 0.0015057100000000, 0.0027967500000000 ] - [ 0.0015170800000000, 0.0008286500000000, -0.0004551200000000 ] - [ 0.0006623500000000, -0.0136770800000000, 0.0235128300000000 ] - [ 0.0120665500000000, 0.0033870700000000, -0.0068844300000000 ] - [ -0.0015248800000000, -0.0002946500000000, -0.0006002300000000 ] - [ 0.0000251000000000, 0.0006586000000000, 0.0001466800000000 ] - [ -0.0124356600000000, -0.0030626200000000, -0.0060709000000000 ] - [ -0.0001264500000000, 0.0003260300000000, -0.0007099500000000 ] - [ -0.0002601200000000, 0.0017346200000000, -0.0027481800000000 ] - [ -0.0035323500000000, -0.0061498900000000, -0.0006991700000000 ] - [ 0.0003576600000000, -0.0004800800000000, -0.0005943500000000 ] - [ 0.0000293400000000, 0.0003356000000000, -0.0004285200000000 ] - [ -0.0021754900000000, 0.0013313500000000, 0.0003547900000000 ] - [ 0.0003710400000000, -0.0026155500000000, -0.0028178900000000 ] - [ 0.0006170000000000, 0.0001071500000000, 0.0004080400000000 ] - [ 0.0003514500000000, -0.0008855100000000, 0.0000121700000000 ] - [ 0.0020157000000000, 0.0034881200000000, 0.0045600700000000 ] - [ 0.0005615000000000, 0.0006381800000000, -0.0003587400000000 ] - [ -0.0002072500000000, -0.0041214500000000, 0.0019497000000000 ] - [ 0.0014388200000000, 0.0000230100000000, -0.0002415500000000 ] - [ 0.0002241200000000, 0.0002458200000000, -0.0005441800000000 ] - [ -0.0094177300000000, -0.0009926300000000, -0.0002485500000000 ] - [ -0.0000845500000000, 0.0002454300000000, -0.0009944500000000 ] - [ -0.0000273200000000, -0.0000044300000000, -0.0002343800000000 ] - [ -0.0003170600000000, -0.0008303100000000, -0.0003300000000000 ] - [ 0.0001457600000000, 0.0002515300000000, -0.0005887400000000 ] - [ -0.0003716100000000, -0.0008251400000000, -0.0009552400000000 ] - [ 0.0000430700000000, -0.0000077800000000, 0.0003189400000000 ] - [ -0.0001306500000000, 0.0007855900000000, -0.0002283300000000 ] - [ -0.0019509500000000, 0.0043753300000000, 0.0048190800000000 ] - [ -0.0007761900000000, 0.0014551100000000, -0.0019673000000000 ] - [ 0.0003884100000000, -0.0006704500000000, 0.0003650700000000 ] - [ 0.0007668500000000, 0.0020131900000000, 0.0022797100000000 ] - [ 0.0003287300000000, 0.0008154300000000, -0.0018730600000000 ] - [ -0.0000366400000000, 0.0032078400000000, 0.0018262500000000 ] - [ 0.0029083100000000, 0.0034612100000000, 0.0005625500000000 ] - [ 0.0004192100000000, -0.0025323900000000, -0.0028762800000000 ] - [ -0.0004275400000000, 0.0035142200000000, 0.0018322500000000 ] - [ -0.0003504100000000, 0.0011883500000000, 0.0009336200000000 ] - [ -0.0001520100000000, 0.0004212000000000, 0.0004159800000000 ] - [ -0.0004086300000000, -0.0004185500000000, -0.0005388300000000 ] - [ -0.0003800200000000, -0.0044340500000000, 0.0043742100000000 ] - [ -0.0014291800000000, -0.0006229500000000, -0.0002397100000000 ] - [ 0.0094394200000000, -0.0003318900000000, -0.0002568200000000 ] - [ 0.0002989100000000, 0.0003102500000000, 0.0006797800000000 ] - [ 0.0002784400000000, -0.0033464500000000, 0.0021380200000000 ] - [ -0.0001331200000000, -0.0005366600000000, -0.0003611900000000 ] - [ 0.0018917600000000, -0.0033216400000000, -0.0017785500000000 ] - [ -0.0000891100000000, 0.0004234800000000, -0.0000431800000000 ] - [ -0.0004863400000000, 0.0000191900000000, -0.0004176700000000 ] - [ -0.0004680500000000, 0.0001147300000000, 0.0005512400000000 ] - [ 0.0007761600000000, 0.0003152800000000, -0.0007015200000000 ] - [ -0.0007682300000000, 0.0005986000000000, 0.0007351100000000 ] - [ -0.0003607700000000, -0.0016375000000000, -0.0031304100000000 ] - [ -0.0000815100000000, -0.0006333800000000, -0.0021763800000000 ] - [ -0.0032986600000000, 0.0043306100000000, 0.0002417700000000 ] - [ 0.0021771300000000, 0.0002056700000000, 0.0005001400000000 ] - [ -0.0040393400000000, 0.0005399000000000, -0.0013343100000000 ] - [ 0.0003775600000000, -0.0015143800000000, 0.0015529500000000 ] - [ -0.0006178100000000, 0.0000329800000000, -0.0002693900000000 ] - [ 0.0040617400000000, -0.0005863100000000, -0.0014802400000000 ] - [ -0.0022731000000000, -0.0024298400000000, -0.0014646000000000 ] - [ 0.0007465300000000, -0.0003992400000000, -0.0000138000000000 ] - [ 0.0001259700000000, 0.0011260200000000, -0.0018866200000000 ] - [ 0.0000335900000000, -0.0006368900000000, -0.0007399900000000 ] - [ 0.0005258100000000, -0.0000844600000000, 0.0000830100000000 ] - [ -0.0000106200000000, -0.0014107000000000, -0.0019959100000000 ]- atom: 26 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0040654000000000, 0.0168064500000000, -0.0009609100000000 ] - [ -0.0038752800000000, -0.0033222400000000, 0.0043637300000000 ] - [ -0.0020614000000000, -0.0005325800000000, -0.0002569200000000 ] - [ -0.0025857900000000, -0.0004125400000000, -0.0174365600000000 ] - [ 0.0024849300000000, 0.0011173300000000, -0.0001126800000000 ] - [ 0.0028535500000000, 0.0000230700000000, -0.0001867100000000 ] - [ 0.0022115200000000, -0.0004084200000000, -0.0003382000000000 ] - [ 0.0018111400000000, -0.0008198700000000, 0.0004018400000000 ] - [ 0.0016221500000000, -0.0004361300000000, 0.0015613100000000 ] - [ 0.0004836700000000, 0.0005243900000000, 0.0006005900000000 ] - [ 0.0013722000000000, -0.0002713000000000, -0.0024488600000000 ] - [ -0.0017047900000000, -0.0018453700000000, 0.0007420900000000 ] - [ 0.0003499600000000, 0.0002273100000000, 0.0006744500000000 ] - [ -0.0006485800000000, -0.0004779300000000, 0.0005746800000000 ] - [ -0.0019288300000000, 0.0019945100000000, 0.0012875300000000 ] - [ -0.0013109200000000, 0.0023303300000000, -0.0041941900000000 ] - [ 0.0005959300000000, -0.0012041700000000, -0.0009035000000000 ] - [ 0.0063220500000000, 0.0062630800000000, 0.0011954300000000 ] - [ 0.0004805600000000, -0.0008423900000000, -0.0002895700000000 ] - [ 0.0017084200000000, -0.0009673400000000, 0.0005603600000000 ] - [ 0.0001236100000000, 0.0006659700000000, 0.0005252900000000 ] - [ 0.0004739800000000, -0.0000157300000000, 0.0006491000000000 ] - [ 0.0006383000000000, 0.0003743700000000, -0.0007221800000000 ] - [ 0.0006655800000000, 0.0001715400000000, -0.0005544600000000 ] - [ -0.0011388400000000, 0.0002178700000000, -0.0009801400000000 ] - [ -0.2190040200000000, 0.0070314900000000, 0.0135379400000000 ] - [ -0.0018830700000000, 0.0023302400000000, -0.0018782000000000 ] - [ -0.0030029000000000, 0.0028952200000000, -0.0042724600000000 ] - [ -0.0029641800000000, -0.0005051200000000, -0.0032115400000000 ] - [ 0.0018888400000000, -0.0004796300000000, -0.0008184100000000 ] - [ -0.0036015000000000, -0.0001907200000000, -0.0000801900000000 ] - [ -0.0015099000000000, -0.0003741100000000, 0.0006722600000000 ] - [ -0.0021585400000000, 0.0008484400000000, 0.0021961900000000 ] - [ -0.0049283900000000, 0.0054251600000000, 0.0060866800000000 ] - [ -0.0021216300000000, 0.0013958400000000, 0.0020376800000000 ] - [ -0.0014238400000000, -0.0018745900000000, -0.0003566700000000 ] - [ -0.0107637600000000, -0.0064652300000000, -0.0049339500000000 ] - [ -0.0016437300000000, -0.0189837700000000, 0.0003995700000000 ] - [ -0.0184017400000000, 0.0013760500000000, 0.0021237900000000 ] - [ -0.0092460900000000, -0.0049980900000000, 0.0018233300000000 ] - [ -0.0065251600000000, 0.0027798900000000, -0.0010541300000000 ] - [ 0.0042632200000000, -0.0013150700000000, -0.0015800500000000 ] - [ 0.0744851200000000, -0.0135612400000000, 0.0075238800000000 ] - [ -0.0039994300000000, -0.0020844800000000, -0.0006604800000000 ] - [ -0.0028864300000000, -0.0000864100000000, 0.0008335100000000 ] - [ 0.0040931400000000, -0.0012265000000000, 0.0014962900000000 ] - [ -0.0045407200000000, -0.0018095500000000, 0.0000321500000000 ] - [ 0.0010204400000000, -0.0001511100000000, 0.0010705000000000 ] - [ 0.0031516400000000, -0.0000284900000000, 0.0024191800000000 ] - [ 0.0039139600000000, -0.0002457000000000, -0.0001019400000000 ] - [ 0.0109132000000000, 0.0037811500000000, 0.0049864500000000 ] - [ 0.0024708000000000, 0.0028315700000000, 0.0008577300000000 ] - [ 0.0077602300000000, 0.0019719700000000, 0.0038402600000000 ] - [ -0.0013706700000000, -0.0008823300000000, 0.0053350200000000 ] - [ 0.0038949800000000, 0.0006127900000000, -0.0001299700000000 ] - [ 0.0024385000000000, -0.0003405400000000, -0.0024363000000000 ] - [ 0.0090101000000000, 0.0033718400000000, -0.0045340600000000 ] - [ 0.0023761000000000, 0.0035555400000000, -0.0010659600000000 ] - [ 0.0085995300000000, 0.0034096100000000, -0.0054497400000000 ] - [ 0.0043175500000000, -0.0022250300000000, 0.0002866900000000 ] - [ 0.0045259500000000, 0.0003070100000000, -0.0001132500000000 ] - [ 0.0101427400000000, -0.0053035500000000, 0.0004679900000000 ] - [ 0.0081741000000000, 0.0018565000000000, 0.0006284600000000 ] - [ 0.0035953700000000, 0.0000666100000000, -0.0003473600000000 ] - [ 0.0033984900000000, -0.0005378600000000, 0.0004340500000000 ] - [ 0.0060193700000000, -0.0345944700000000, 0.0461217200000000 ] - [ 0.0028272000000000, -0.0026766200000000, 0.0003658200000000 ] - [ 0.0068054500000000, -0.0011499500000000, -0.0016259800000000 ] - [ 0.0018006000000000, -0.0012350300000000, -0.0002318500000000 ] - [ 0.0149011400000000, -0.0346889500000000, -0.0397794500000000 ] - [ 0.0064698800000000, -0.0011477200000000, 0.0013690500000000 ] - [ -0.0007548100000000, -0.0004106100000000, -0.0069462300000000 ] - [ -0.0001866600000000, 0.0005346500000000, -0.0000267000000000 ] - [ 0.0045143300000000, 0.0011178500000000, -0.0003423400000000 ] - [ -0.0011017300000000, 0.0042479900000000, 0.0033403300000000 ] - [ 0.0013854200000000, -0.0000688100000000, 0.0001108900000000 ] - [ 0.0014178800000000, 0.0019152500000000, -0.0006265100000000 ] - [ 0.0002888300000000, -0.0001679900000000, -0.0014122900000000 ] - [ 0.0000139400000000, 0.0001178800000000, 0.0007036200000000 ] - [ -0.0016617000000000, -0.0000560100000000, -0.0009812500000000 ] - [ 0.0046982300000000, 0.0005352200000000, 0.0003076500000000 ] - [ 0.0013256100000000, 0.0004459000000000, -0.0005580400000000 ] - [ 0.0098204700000000, -0.0012691200000000, -0.0013400500000000 ] - [ 0.0185094600000000, 0.0053965000000000, 0.0037281000000000 ] - [ 0.0004602600000000, -0.0002946900000000, -0.0004471400000000 ] - [ -0.0026040400000000, -0.0000417400000000, 0.0000141200000000 ] - [ -0.0011203800000000, 0.0030357000000000, -0.0025468500000000 ] - [ 0.0017459400000000, 0.0009562200000000, 0.0003045000000000 ] - [ 0.0229380500000000, -0.0013005900000000, -0.0005975400000000 ] - [ 0.0027746600000000, 0.0026400400000000, -0.0009595400000000 ] - [ 0.0004047400000000, -0.0009336800000000, -0.0010162100000000 ] - [ -0.0031794900000000, 0.0000245300000000, 0.0001200500000000 ] - [ -0.0000250400000000, -0.0016314900000000, 0.0008131900000000 ] - [ 0.0005847600000000, -0.0001301900000000, -0.0004633800000000 ] - [ -0.0014877800000000, 0.0000007000000000, 0.0007508300000000 ] - [ -0.0005853000000000, -0.0001086500000000, -0.0000958400000000 ] - [ -0.0004121900000000, 0.0003167700000000, 0.0018036900000000 ] - [ -0.0000763300000000, -0.0015592800000000, 0.0016214000000000 ] - [ -0.0008085800000000, 0.0002817800000000, -0.0007560600000000 ] - [ 0.0012855400000000, 0.0030938400000000, 0.0006902200000000 ] - [ 0.0015529100000000, 0.0001949500000000, 0.0004079700000000 ] - [ -0.0018939000000000, 0.0002547500000000, 0.0000160800000000 ] - [ -0.0016716700000000, 0.0001134300000000, -0.0001805000000000 ] - [ 0.0121982300000000, 0.0012736400000000, 0.0001557100000000 ] - [ 0.0051370200000000, 0.0001319300000000, 0.0008985100000000 ] - [ 0.0014529000000000, -0.0014647500000000, -0.0000801100000000 ] - [ -0.0010343300000000, 0.0006390900000000, 0.0000336400000000 ] - [ 0.0023123500000000, -0.0045135000000000, -0.0001875600000000 ] - [ 0.0001237900000000, -0.0014692700000000, 0.0008855100000000 ] - [ 0.0010869200000000, 0.0005038700000000, 0.0000426900000000 ] - [ -0.0000800300000000, -0.0009204000000000, -0.0007338200000000 ] - [ -0.0000360000000000, 0.0006376100000000, 0.0000929100000000 ] - [ 0.0005822300000000, 0.0000030800000000, -0.0002351800000000 ] - [ 0.0010843100000000, 0.0004580600000000, 0.0001150700000000 ] - [ -0.0046418000000000, 0.0136644600000000, 0.0047854700000000 ] - [ -0.0005491000000000, 0.0004107400000000, 0.0006602700000000 ] - [ -0.0002602900000000, -0.0013203100000000, -0.0016162100000000 ] - [ 0.0031861000000000, -0.0004744700000000, -0.0000909600000000 ] - [ 0.0675128000000000, 0.0182334000000000, -0.0074014500000000 ] - [ 0.0004858900000000, -0.0006429700000000, 0.0006257500000000 ] - [ 0.0022763800000000, 0.0001574400000000, -0.0003758400000000 ] - [ 0.0070741000000000, -0.0020467900000000, 0.0013696400000000 ] - [ -0.0036704900000000, 0.0145264900000000, -0.0056854100000000 ] - [ 0.0003071700000000, -0.0002219300000000, 0.0002332000000000 ] - [ -0.0015200800000000, 0.0007314400000000, 0.0000488600000000 ] - [ 0.0024620200000000, 0.0015780200000000, 0.0009523800000000 ] - [ 0.0021675200000000, -0.0006179100000000, 0.0012467800000000 ] - [ -0.0027362400000000, 0.0025350900000000, 0.0002921000000000 ] - [ -0.0111697900000000, -0.0038241100000000, 0.0006114200000000 ] - [ -0.0069248200000000, 0.0005518800000000, 0.0001929800000000 ] - [ -0.0050337800000000, 0.0011912600000000, -0.0025119700000000 ] - [ -0.0013296500000000, -0.0008019100000000, -0.0000432700000000 ] - [ -0.0007720100000000, -0.0004792400000000, 0.0000529600000000 ] - [ -0.0006897300000000, 0.0005926600000000, 0.0000899700000000 ] - [ -0.0014191700000000, 0.0009032100000000, -0.0010494700000000 ] - [ 0.0033590200000000, 0.0039452300000000, 0.0079924100000000 ] - [ -0.0068196700000000, 0.0002446800000000, -0.0002002100000000 ] - [ -0.0024015300000000, 0.0008317000000000, 0.0024047200000000 ] - [ -0.0043773300000000, -0.0005534000000000, 0.0001211200000000 ] - [ -0.0011499400000000, 0.0002292600000000, -0.0001027000000000 ] - [ 0.0001229300000000, 0.0003516400000000, 0.0008791500000000 ] - [ 0.0203969600000000, -0.0030029000000000, -0.0037092600000000 ] - [ -0.0071715700000000, 0.0010449000000000, 0.0021770100000000 ] - [ -0.0044134200000000, -0.0002160200000000, 0.0005317600000000 ] - [ -0.0009735100000000, 0.0003090100000000, 0.0000635600000000 ] - [ -0.0011159100000000, 0.0008050300000000, -0.0005335000000000 ] - [ -0.0009119700000000, -0.0014870900000000, 0.0009965200000000 ] - [ 0.0233866400000000, 0.0022589000000000, -0.0018324700000000 ] - [ -0.0010110600000000, -0.0015111800000000, -0.0029790800000000 ] - [ -0.0015297000000000, 0.0006290500000000, 0.0013699000000000 ] - [ 0.0037682100000000, 0.0044163100000000, -0.0071967500000000 ] - [ -0.0013775600000000, 0.0012348000000000, 0.0004940000000000 ] - [ -0.0008119000000000, 0.0005927900000000, 0.0001641500000000 ] - [ -0.0020652400000000, -0.0024404100000000, -0.0017549700000000 ] - [ -0.0037715600000000, -0.0002081600000000, 0.0083229300000000 ] - [ -0.0010782900000000, 0.0006757200000000, -0.0001022300000000 ] - [ -0.0026613000000000, 0.0006255100000000, -0.0022338400000000 ] - [ 0.0031736400000000, -0.0002197900000000, -0.0009314900000000 ] - [ 0.0025411200000000, -0.0010197900000000, 0.0021965000000000 ] - [ -0.0084840900000000, -0.0001351900000000, 0.0000244500000000 ] - [ -0.0031967700000000, 0.0003798400000000, -0.0000314100000000 ] - [ -0.0009477800000000, -0.0005278800000000, -0.0000833500000000 ] - [ 0.0020611700000000, -0.0009904200000000, 0.0004669600000000 ] - [ -0.0028885900000000, -0.0024717000000000, 0.0001240500000000 ] - [ -0.0009801500000000, -0.0016997000000000, -0.0006937500000000 ] - [ -0.0026251800000000, 0.0000136600000000, 0.0004777900000000 ] - [ -0.0010339000000000, -0.0014227600000000, 0.0027101400000000 ] - [ -0.0001730700000000, 0.0006630500000000, 0.0001781400000000 ] - [ -0.0081584900000000, -0.0060018600000000, 0.0067617100000000 ] - [ -0.0033431900000000, -0.0000852700000000, -0.0003379200000000 ] - [ -0.0011338100000000, 0.0030081400000000, -0.0006334900000000 ] - [ -0.0026908400000000, -0.0000981200000000, -0.0084247700000000 ] - [ -0.0024982600000000, -0.0019122700000000, 0.0015398300000000 ] - [ -0.0040617500000000, -0.0004162600000000, 0.0001407100000000 ] - [ -0.0040449500000000, 0.0006915700000000, 0.0000966200000000 ] - [ 0.0002743200000000, 0.0004856500000000, -0.0015238700000000 ] - [ -0.0056228400000000, -0.0001119400000000, -0.0007074700000000 ] - [ -0.0036671100000000, -0.0007482600000000, -0.0001790000000000 ] - [ -0.0014091200000000, 0.0027427400000000, 0.0002831400000000 ] - [ -0.0096280600000000, -0.0104800000000000, -0.0095255900000000 ] - [ 0.0167807000000000, 0.0216022100000000, -0.0016527600000000 ] - [ -0.0013141800000000, -0.0002935700000000, 0.0005289200000000 ] - [ -0.0005941400000000, -0.0006430500000000, 0.0001999700000000 ] - [ -0.0036205300000000, 0.0078934200000000, -0.0007227900000000 ]- atom: 26 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0040623900000000, -0.0157198300000000, 0.0005085000000000 ] - [ 0.0038092800000000, 0.0043044100000000, -0.0039693200000000 ] - [ 0.0020587400000000, -0.0004242200000000, -0.0002042200000000 ] - [ 0.0025547400000000, -0.0006091000000000, 0.0177876100000000 ] - [ -0.0024923400000000, -0.0001638600000000, -0.0003418800000000 ] - [ -0.0028650200000000, 0.0009479600000000, 0.0006431800000000 ] - [ -0.0022178900000000, -0.0005598900000000, -0.0001165600000000 ] - [ -0.0018128400000000, -0.0001380600000000, 0.0000537900000000 ] - [ -0.0014292300000000, 0.0002441000000000, -0.0028358400000000 ] - [ -0.0002870400000000, -0.0007073100000000, 0.0006802300000000 ] - [ -0.0011768400000000, 0.0004561400000000, 0.0011693900000000 ] - [ 0.0015214900000000, 0.0016758100000000, 0.0005386900000000 ] - [ -0.0001533800000000, -0.0000381300000000, 0.0006042200000000 ] - [ 0.0004611900000000, 0.0006738100000000, 0.0006986500000000 ] - [ 0.0017772800000000, -0.0018176000000000, -0.0025498600000000 ] - [ 0.0011881000000000, -0.0025306400000000, 0.0028676900000000 ] - [ -0.0004010500000000, 0.0010340800000000, -0.0003748500000000 ] - [ -0.0062200600000000, -0.0065540300000000, 0.0000813900000000 ] - [ -0.0002880700000000, 0.0010457400000000, -0.0009868200000000 ] - [ -0.0019087900000000, 0.0007751900000000, 0.0007170700000000 ] - [ 0.0000764100000000, -0.0004863700000000, 0.0007538500000000 ] - [ -0.0006748700000000, 0.0002020000000000, 0.0006277400000000 ] - [ -0.0008380500000000, -0.0001847700000000, -0.0005574500000000 ] - [ -0.0008652900000000, -0.0003569500000000, -0.0007254800000000 ] - [ 0.0022047900000000, -0.0002088900000000, 0.0009624500000000 ] - [ 0.2130258100000000, -0.0096561200000000, -0.0121234700000000 ] - [ 0.0019633100000000, -0.0014878500000000, 0.0018696200000000 ] - [ 0.0034102600000000, -0.0031135700000000, 0.0039150500000000 ] - [ 0.0024635000000000, -0.0000120200000000, 0.0028057500000000 ] - [ -0.0019023400000000, -0.0003335600000000, 0.0008171900000000 ] - [ 0.0032156800000000, -0.0000319400000000, 0.0004117100000000 ] - [ 0.0015369200000000, -0.0004355600000000, -0.0006677600000000 ] - [ 0.0025334900000000, -0.0005838000000000, -0.0025442600000000 ] - [ 0.0044453900000000, -0.0048615200000000, -0.0064933000000000 ] - [ 0.0011471100000000, -0.0013790500000000, -0.0020174600000000 ] - [ 0.0018039100000000, 0.0016415800000000, 0.0006920800000000 ] - [ 0.0113058000000000, 0.0069900900000000, 0.0044879200000000 ] - [ 0.0010409900000000, 0.0194776300000000, 0.0000577900000000 ] - [ 0.0188951800000000, -0.0002201500000000, -0.0015699800000000 ] - [ 0.0089164800000000, 0.0048231900000000, -0.0022049700000000 ] - [ 0.0070346000000000, -0.0033841600000000, 0.0014404300000000 ] - [ -0.0032544500000000, 0.0013192400000000, 0.0015875400000000 ] - [ -0.0736224800000000, 0.0137719300000000, -0.0072008700000000 ] - [ 0.0044833500000000, 0.0016188200000000, 0.0002864700000000 ] - [ 0.0023940800000000, -0.0004848600000000, -0.0004251600000000 ] - [ -0.0041222000000000, 0.0020445900000000, -0.0015013600000000 ] - [ 0.0041508700000000, 0.0020904200000000, -0.0004028000000000 ] - [ -0.0020739700000000, 0.0001522100000000, -0.0010730800000000 ] - [ -0.0021286800000000, 0.0000271500000000, -0.0024152900000000 ] - [ -0.0043209800000000, 0.0004931000000000, 0.0004497700000000 ] - [ -0.0109081800000000, -0.0029746800000000, -0.0049845700000000 ] - [ -0.0020620200000000, -0.0031058500000000, -0.0012120200000000 ] - [ -0.0082985600000000, -0.0025399000000000, -0.0042838800000000 ] - [ 0.0013882700000000, 0.0000437300000000, -0.0054049700000000 ] - [ -0.0043036500000000, -0.0008378300000000, 0.0004776600000000 ] - [ -0.0024497600000000, -0.0004750700000000, 0.0024290300000000 ] - [ -0.0086545900000000, -0.0031586100000000, 0.0042144600000000 ] - [ -0.0028463900000000, -0.0030429700000000, 0.0006531800000000 ] - [ -0.0096264300000000, -0.0034178900000000, 0.0054513700000000 ] - [ -0.0039436600000000, 0.0020140100000000, 0.0000579400000000 ] - [ -0.0040495200000000, 0.0002307400000000, -0.0002983500000000 ] - [ -0.0106824300000000, 0.0058920300000000, -0.0000443500000000 ] - [ -0.0077020800000000, -0.0012995100000000, -0.0002135200000000 ] - [ -0.0040050800000000, -0.0003079200000000, -0.0000019700000000 ] - [ -0.0029211600000000, -0.0000007600000000, -0.0000227100000000 ] - [ -0.0052661900000000, 0.0350524900000000, -0.0466761800000000 ] - [ -0.0024184000000000, 0.0029467500000000, -0.0000159700000000 ] - [ -0.0063370100000000, 0.0005968800000000, 0.0012118500000000 ] - [ -0.0022839500000000, 0.0007051100000000, 0.0006454300000000 ] - [ -0.0150645000000000, 0.0360037500000000, 0.0403193700000000 ] - [ -0.0068838200000000, 0.0013736200000000, -0.0017140400000000 ] - [ -0.0002525800000000, 0.0003790600000000, 0.0069978200000000 ] - [ -0.0002876800000000, -0.0002483900000000, 0.0000121700000000 ] - [ -0.0045030100000000, -0.0000125600000000, 0.0002005700000000 ] - [ 0.0018738700000000, -0.0042694900000000, -0.0033630300000000 ] - [ -0.0009390900000000, -0.0002349400000000, -0.0001153600000000 ] - [ -0.0010335000000000, -0.0028170600000000, 0.0003187800000000 ] - [ -0.0002219800000000, -0.0007039200000000, 0.0011653900000000 ] - [ 0.0007031000000000, 0.0002709500000000, -0.0004788800000000 ] - [ 0.0017545100000000, -0.0007116500000000, 0.0008008600000000 ] - [ -0.0046914300000000, 0.0001013700000000, -0.0003141500000000 ] - [ -0.0012520800000000, 0.0003112300000000, 0.0003617200000000 ] - [ -0.0098056200000000, 0.0006141700000000, 0.0013302000000000 ] - [ -0.0182154400000000, -0.0042508300000000, -0.0037486200000000 ] - [ 0.0002367700000000, 0.0006869700000000, 0.0002216100000000 ] - [ 0.0019075200000000, -0.0003468700000000, 0.0002132100000000 ] - [ 0.0018541000000000, -0.0034384900000000, 0.0023291400000000 ] - [ -0.0025485100000000, -0.0010673400000000, -0.0004064500000000 ] - [ -0.0222822800000000, 0.0024880000000000, 0.0006085500000000 ] - [ -0.0023849400000000, -0.0017726200000000, 0.0006347000000000 ] - [ -0.0003486900000000, 0.0018062300000000, 0.0012779700000000 ] - [ 0.0016567800000000, -0.0000229200000000, -0.0001222200000000 ] - [ -0.0000851600000000, 0.0008567100000000, -0.0009830800000000 ] - [ 0.0009747200000000, 0.0001227000000000, 0.0004714200000000 ] - [ 0.0019540000000000, -0.0003013100000000, -0.0007430000000000 ] - [ 0.0001348700000000, -0.0001962900000000, 0.0000880100000000 ] - [ 0.0000223300000000, -0.0011836200000000, -0.0014903000000000 ] - [ 0.0001276500000000, 0.0006560300000000, -0.0013515400000000 ] - [ 0.0003615200000000, 0.0000215900000000, 0.0007683400000000 ] - [ -0.0013482500000000, -0.0021997700000000, -0.0004117800000000 ] - [ -0.0011121600000000, 0.0000962800000000, -0.0003859300000000 ] - [ 0.0011938800000000, 0.0001401500000000, -0.0002370900000000 ] - [ 0.0009282200000000, -0.0001090100000000, 0.0001762200000000 ] - [ -0.0119689600000000, -0.0019364700000000, -0.0001754600000000 ] - [ -0.0051427500000000, 0.0005168500000000, -0.0008935300000000 ] - [ -0.0015157600000000, 0.0006013800000000, -0.0001309500000000 ] - [ 0.0011236300000000, 0.0001298500000000, 0.0001501000000000 ] - [ -0.0023259900000000, 0.0037212600000000, 0.0003494800000000 ] - [ -0.0005131600000000, 0.0005817700000000, -0.0011922600000000 ] - [ -0.0018074800000000, -0.0001223800000000, 0.0001823400000000 ] - [ -0.0003932500000000, 0.0006228800000000, 0.0007370600000000 ] - [ -0.0000580600000000, 0.0001254600000000, 0.0000945500000000 ] - [ 0.0009310400000000, -0.0000036200000000, 0.0002348400000000 ] - [ -0.0026376800000000, -0.0004609100000000, -0.0001051000000000 ] - [ 0.0046588800000000, -0.0127354800000000, -0.0050518400000000 ] - [ 0.0004716000000000, 0.0003588300000000, -0.0008443700000000 ] - [ -0.0001334100000000, 0.0021730400000000, 0.0012944000000000 ] - [ -0.0031767700000000, -0.0006502500000000, 0.0002471500000000 ] - [ -0.0599775800000000, -0.0155501600000000, 0.0067932500000000 ] - [ 0.0002513900000000, 0.0006393300000000, -0.0006199900000000 ] - [ -0.0030312300000000, -0.0006256000000000, 0.0002081600000000 ] - [ -0.0070903700000000, 0.0009191800000000, -0.0015061100000000 ] - [ 0.0032515600000000, -0.0136624300000000, 0.0060151500000000 ] - [ 0.0003750300000000, -0.0001748000000000, -0.0000115000000000 ] - [ 0.0019839000000000, -0.0004311800000000, -0.0000605400000000 ] - [ -0.0025191400000000, -0.0024981200000000, -0.0006831000000000 ] - [ -0.0017789800000000, -0.0002382300000000, -0.0009445700000000 ] - [ 0.0026721500000000, -0.0033069300000000, -0.0001141600000000 ] - [ 0.0107252500000000, 0.0041349100000000, -0.0006199600000000 ] - [ 0.0069535300000000, 0.0005740300000000, -0.0003399500000000 ] - [ 0.0058184200000000, -0.0012112600000000, 0.0025187700000000 ] - [ 0.0017935200000000, 0.0004964700000000, 0.0000332300000000 ] - [ 0.0011672700000000, -0.0003926400000000, -0.0003610800000000 ] - [ 0.0007471600000000, -0.0014892000000000, -0.0003530600000000 ] - [ 0.0021422400000000, -0.0005179100000000, 0.0012866100000000 ] - [ -0.0032697300000000, -0.0047688300000000, -0.0082896200000000 ] - [ 0.0068587900000000, 0.0004016300000000, 0.0002005800000000 ] - [ 0.0024896600000000, -0.0000591200000000, -0.0025831800000000 ] - [ 0.0043738200000000, -0.0000882900000000, -0.0001249100000000 ] - [ 0.0010993700000000, 0.0006441700000000, -0.0001575500000000 ] - [ 0.0005941900000000, 0.0000448800000000, -0.0010972400000000 ] - [ -0.0209125600000000, 0.0023512900000000, 0.0036739500000000 ] - [ 0.0078893800000000, -0.0014633900000000, -0.0024231400000000 ] - [ 0.0036622500000000, 0.0002192100000000, -0.0005287500000000 ] - [ 0.0013693400000000, 0.0005513400000000, 0.0002479300000000 ] - [ 0.0015101700000000, 0.0000708000000000, 0.0002240300000000 ] - [ 0.0009680400000000, 0.0023959600000000, -0.0007373800000000 ] - [ -0.0248222200000000, -0.0025040200000000, 0.0021562800000000 ] - [ 0.0009319100000000, 0.0007360000000000, 0.0027971700000000 ] - [ 0.0030787200000000, -0.0006304300000000, -0.0013779000000000 ] - [ -0.0032922600000000, -0.0047858800000000, 0.0073192800000000 ] - [ 0.0009277200000000, -0.0015494600000000, -0.0005016800000000 ] - [ 0.0004236800000000, -0.0014759500000000, 0.0001465800000000 ] - [ 0.0021385700000000, 0.0015857000000000, 0.0020374700000000 ] - [ 0.0033113100000000, 0.0005221400000000, -0.0083772700000000 ] - [ 0.0010277700000000, 0.0002117000000000, 0.0003629600000000 ] - [ 0.0031213300000000, -0.0003201200000000, 0.0022413000000000 ] - [ -0.0039137900000000, 0.0006189500000000, 0.0007232800000000 ] - [ -0.0033244200000000, 0.0010176100000000, -0.0021807500000000 ] - [ 0.0085027800000000, -0.0005125500000000, -0.0000235900000000 ] - [ 0.0032105600000000, 0.0002638900000000, 0.0000341300000000 ] - [ 0.0008968600000000, -0.0003673300000000, -0.0001807600000000 ] - [ -0.0019980800000000, 0.0017826100000000, -0.0002813900000000 ] - [ 0.0029768100000000, 0.0016999200000000, 0.0000562300000000 ] - [ 0.0005916100000000, 0.0008486500000000, 0.0003868600000000 ] - [ 0.0019230100000000, 0.0003796700000000, -0.0002558700000000 ] - [ 0.0005795600000000, 0.0011162500000000, -0.0026986800000000 ] - [ 0.0000954700000000, 0.0001142000000000, 0.0000037800000000 ] - [ 0.0096503900000000, 0.0060034500000000, -0.0067554400000000 ] - [ 0.0018134100000000, 0.0000861300000000, 0.0003380600000000 ] - [ 0.0011935600000000, -0.0021432200000000, 0.0003700600000000 ] - [ 0.0026151000000000, 0.0008759400000000, 0.0083226100000000 ] - [ 0.0021260400000000, 0.0028128300000000, -0.0018700900000000 ] - [ 0.0040712600000000, -0.0007102600000000, 0.0000041100000000 ] - [ 0.0040559800000000, 0.0004309200000000, 0.0000471200000000 ] - [ 0.0004842800000000, -0.0004820600000000, 0.0015182000000000 ] - [ 0.0049161500000000, -0.0002758500000000, 0.0004807000000000 ] - [ 0.0036691300000000, -0.0003726500000000, 0.0000350100000000 ] - [ 0.0010234100000000, -0.0018895600000000, 0.0000263600000000 ] - [ 0.0102839700000000, 0.0100965800000000, 0.0097542300000000 ] - [ -0.0191968200000000, -0.0211762300000000, 0.0014468500000000 ] - [ 0.0012632800000000, -0.0005892000000000, -0.0002676600000000 ] - [ 0.0009881500000000, -0.0002414900000000, 0.0001063900000000 ] - [ 0.0035494800000000, -0.0087520300000000, 0.0008871100000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0124669800000000, 0.0158227300000000, -0.0027226900000000 ] - [ -0.0097049900000000, 0.0058240900000000, -0.0104982100000000 ] - [ 0.0004606300000000, 0.0014877700000000, 0.0002615800000000 ] - [ -0.0043172800000000, -0.0110764000000000, 0.0030517300000000 ] - [ 0.0003535600000000, -0.0004725500000000, -0.0004010500000000 ] - [ -0.0009472100000000, 0.0014315600000000, 0.0006729300000000 ] - [ -0.0004912900000000, -0.0010770900000000, -0.0000268600000000 ] - [ 0.0001008400000000, 0.0004440500000000, 0.0003085700000000 ] - [ -0.0004299900000000, -0.0005611700000000, -0.0007457800000000 ] - [ 0.0002551100000000, 0.0004639700000000, 0.0005293200000000 ] - [ -0.0004211200000000, -0.0002000100000000, -0.0004088600000000 ] - [ -0.0004079500000000, 0.0043858900000000, 0.0001378500000000 ] - [ 0.0001991000000000, 0.0003236600000000, 0.0007687600000000 ] - [ -0.0004884400000000, 0.0010922300000000, 0.0009567500000000 ] - [ 0.0055736800000000, -0.0018919500000000, 0.0063709700000000 ] - [ 0.0070139200000000, -0.0029819600000000, -0.0097146000000000 ] - [ -0.0003099800000000, 0.0017761100000000, -0.0005911100000000 ] - [ 0.0032509900000000, -0.0031422700000000, 0.0006185800000000 ] - [ -0.0000934900000000, 0.0017753200000000, -0.0007865600000000 ] - [ -0.0003265600000000, -0.0006397100000000, 0.0005999100000000 ] - [ 0.0002771300000000, -0.0008644500000000, 0.0006991700000000 ] - [ -0.0002589100000000, -0.0001270100000000, 0.0006646500000000 ] - [ -0.0002086200000000, 0.0003864800000000, -0.0006732200000000 ] - [ -0.0001421200000000, 0.0002472500000000, -0.0006350800000000 ] - [ 0.0014788000000000, 0.0019534700000000, -0.0030160100000000 ] - [ 0.0085265300000000, -0.2575183300000000, 0.0259513100000000 ] - [ 0.0106724500000000, 0.0085855200000000, -0.0062836300000000 ] - [ 0.0032154400000000, 0.0013534100000000, -0.0015099200000000 ] - [ -0.0017098500000000, 0.0045877400000000, 0.0011560900000000 ] - [ -0.0009369500000000, -0.0002021500000000, 0.0003397200000000 ] - [ -0.0001116100000000, 0.0008320100000000, 0.0004895200000000 ] - [ 0.0018630900000000, 0.0007600100000000, 0.0030818800000000 ] - [ -0.0005056600000000, 0.0058589700000000, -0.0011485200000000 ] - [ 0.0066442300000000, 0.0020838900000000, 0.0019913100000000 ] - [ 0.0091926900000000, 0.0061767400000000, 0.0055503600000000 ] - [ -0.0015560800000000, -0.0002543000000000, -0.0003233100000000 ] - [ 0.0069011800000000, 0.0256565600000000, 0.0263721800000000 ] - [ -0.0222295700000000, -0.0036790700000000, 0.0033701000000000 ] - [ -0.0008735200000000, 0.1091680700000000, 0.0058614100000000 ] - [ 0.0047171800000000, 0.0154624200000000, -0.0125931100000000 ] - [ 0.0039975600000000, -0.0121294900000000, 0.0016913800000000 ] - [ -0.0019585900000000, 0.0007273500000000, 0.0008155100000000 ] - [ 0.0137155000000000, -0.0109293400000000, 0.0001336100000000 ] - [ -0.0033227000000000, 0.0165321900000000, 0.0080675600000000 ] - [ -0.0005991100000000, -0.0036393500000000, 0.0006101000000000 ] - [ -0.0024616000000000, 0.0012769700000000, -0.0010682100000000 ] - [ -0.0021342900000000, 0.0186224000000000, -0.0058566100000000 ] - [ -0.0017169600000000, 0.0003687000000000, -0.0001938900000000 ] - [ 0.0006102500000000, -0.0004393500000000, 0.0007510500000000 ] - [ -0.0005765300000000, 0.0019955000000000, 0.0001610500000000 ] - [ 0.0009224800000000, 0.0002039100000000, 0.0001657100000000 ] - [ 0.0031622300000000, -0.0035499300000000, 0.0007440700000000 ] - [ -0.0032615400000000, -0.0051016300000000, -0.0019111600000000 ] - [ -0.0012398200000000, -0.0023794000000000, -0.0036581900000000 ] - [ -0.0009305700000000, 0.0006359200000000, 0.0003841000000000 ] - [ -0.0005005600000000, -0.0007541400000000, -0.0002263500000000 ] - [ -0.0030777200000000, -0.0063009400000000, 0.0020986100000000 ] - [ 0.0030814100000000, -0.0032403200000000, -0.0012304900000000 ] - [ -0.0003461500000000, -0.0002012100000000, -0.0006929700000000 ] - [ -0.0019275200000000, 0.0025114400000000, 0.0003763300000000 ] - [ -0.0000403000000000, -0.0009213400000000, -0.0004619300000000 ] - [ -0.0071786900000000, 0.0056747200000000, -0.0004931000000000 ] - [ -0.0017793200000000, 0.0015196500000000, -0.0002348000000000 ] - [ -0.0003930100000000, -0.0013104500000000, 0.0000509600000000 ] - [ -0.0001396100000000, 0.0007404300000000, 0.0002985900000000 ] - [ -0.0367706900000000, -0.0046931600000000, -0.0093087900000000 ] - [ 0.0029994000000000, 0.0062842900000000, 0.0003071500000000 ] - [ -0.0008263100000000, -0.0014539800000000, -0.0003280000000000 ] - [ 0.0009805900000000, 0.0026495300000000, 0.0003589400000000 ] - [ -0.0484795700000000, -0.0024895400000000, 0.0052621400000000 ] - [ -0.0014720400000000, -0.0013243100000000, -0.0000732800000000 ] - [ -0.0032648900000000, -0.0022643300000000, 0.0054440300000000 ] - [ -0.0030082900000000, -0.0037782900000000, 0.0000332400000000 ] - [ 0.0004233400000000, -0.0026846200000000, 0.0006248100000000 ] - [ 0.0027299500000000, -0.0032066900000000, -0.0031904000000000 ] - [ -0.0001622700000000, 0.0001415600000000, -0.0000689800000000 ] - [ 0.0002353500000000, -0.0082567800000000, 0.0009073800000000 ] - [ 0.0011160900000000, 0.0013570100000000, 0.0013755100000000 ] - [ 0.0008629900000000, -0.0002507700000000, 0.0000513400000000 ] - [ 0.0005599000000000, -0.0001582000000000, 0.0002067700000000 ] - [ 0.0022684200000000, -0.0011752600000000, -0.0008881600000000 ] - [ -0.0006257300000000, -0.0023245400000000, -0.0031410500000000 ] - [ -0.0095503000000000, -0.0024587800000000, -0.0027708300000000 ] - [ 0.0010943900000000, 0.0172667900000000, 0.0138581700000000 ] - [ -0.0012905700000000, -0.0001334800000000, -0.0008033700000000 ] - [ 0.0006601800000000, -0.0004360700000000, 0.0001765300000000 ] - [ 0.0029567400000000, -0.0028646400000000, 0.0021084200000000 ] - [ -0.0061165800000000, -0.0211241000000000, -0.0151787600000000 ] - [ 0.0014594500000000, 0.0845249000000000, -0.0625095900000000 ] - [ -0.0002181400000000, -0.0117231100000000, -0.0026097300000000 ] - [ -0.0003041000000000, -0.0022795000000000, -0.0001969700000000 ] - [ 0.0003059300000000, -0.0001263900000000, -0.0000412000000000 ] - [ -0.0036839200000000, -0.0018332100000000, 0.0033007000000000 ] - [ 0.0020623600000000, -0.0011517800000000, 0.0003811800000000 ] - [ 0.0007800100000000, 0.0000239400000000, -0.0003375600000000 ] - [ 0.0002671700000000, -0.0001924100000000, 0.0000003800000000 ] - [ 0.0001471100000000, 0.0003418200000000, -0.0002714700000000 ] - [ -0.0008661500000000, -0.0031092400000000, 0.0015978300000000 ] - [ -0.0000592900000000, -0.0006834100000000, 0.0004552400000000 ] - [ 0.0001529100000000, -0.0103614800000000, -0.0019508400000000 ] - [ 0.0001311400000000, -0.0035312700000000, 0.0030195700000000 ] - [ 0.0001615200000000, 0.0001359700000000, -0.0002411300000000 ] - [ 0.0001192800000000, -0.0000808300000000, 0.0000930800000000 ] - [ 0.0295222200000000, -0.0057163700000000, -0.0002970500000000 ] - [ -0.0010610900000000, 0.0012092700000000, -0.0005255200000000 ] - [ -0.0005203100000000, 0.0034915700000000, 0.0053572600000000 ] - [ 0.0003527600000000, -0.0000531500000000, 0.0001291700000000 ] - [ -0.0102358600000000, -0.0095661600000000, -0.0004052700000000 ] - [ -0.0002431800000000, -0.0023392300000000, -0.0001434400000000 ] - [ -0.0004917900000000, -0.0011043800000000, -0.0007351000000000 ] - [ -0.0035288100000000, -0.0007459700000000, -0.0027190700000000 ] - [ -0.0008290200000000, -0.0011962500000000, 0.0000150800000000 ] - [ -0.0035421200000000, -0.0005843000000000, -0.0002296800000000 ] - [ -0.0007194600000000, -0.0022165100000000, 0.0003854300000000 ] - [ 0.0008145600000000, 0.0077547500000000, 0.0002804900000000 ] - [ 0.0003902100000000, -0.0001396800000000, -0.0005626900000000 ] - [ -0.0012846000000000, -0.0024812700000000, -0.0013485900000000 ] - [ 0.0011240800000000, -0.0008584900000000, 0.0009474200000000 ] - [ 0.0082540100000000, 0.0231067800000000, -0.0024506300000000 ] - [ -0.0011265600000000, -0.0004311300000000, 0.0006400300000000 ] - [ -0.0048831900000000, -0.0172932700000000, 0.0115845500000000 ] - [ -0.0049882700000000, -0.0009171700000000, 0.0021205400000000 ] - [ 0.0013134600000000, 0.0074707400000000, -0.0012333800000000 ] - [ -0.0037333500000000, -0.0011963100000000, 0.0004274900000000 ] - [ 0.0008424800000000, -0.0005347000000000, 0.0000018800000000 ] - [ -0.0001719600000000, -0.0099928600000000, 0.0024102600000000 ] - [ 0.0000656200000000, 0.0019044800000000, -0.0035828000000000 ] - [ 0.0025663200000000, -0.0009085500000000, 0.0002131900000000 ] - [ -0.0016762600000000, 0.0005752900000000, 0.0004783000000000 ] - [ 0.0022178700000000, 0.0010001000000000, -0.0005411700000000 ] - [ 0.0058683200000000, 0.0012329000000000, 0.0013924300000000 ] - [ 0.0003356700000000, -0.0001980000000000, -0.0001811700000000 ] - [ 0.0003795100000000, 0.0003756800000000, -0.0002827900000000 ] - [ 0.0002501000000000, -0.0023077100000000, -0.0004960600000000 ] - [ 0.0019043600000000, 0.0002774100000000, 0.0004480900000000 ] - [ 0.0042448000000000, -0.0026650700000000, -0.0065125000000000 ] - [ 0.0018029300000000, 0.0007050500000000, 0.0002477300000000 ] - [ 0.0002787500000000, 0.0007799500000000, 0.0001979200000000 ] - [ -0.0007436100000000, -0.0000641400000000, -0.0000039500000000 ] - [ 0.0001369300000000, -0.0007537000000000, 0.0000343600000000 ] - [ 0.0008065900000000, 0.0010981900000000, 0.0001950200000000 ] - [ 0.0112324300000000, 0.0224826800000000, 0.0075178200000000 ] - [ 0.0099669700000000, 0.0013309300000000, -0.0011497300000000 ] - [ -0.0003110100000000, 0.0002561400000000, 0.0003460300000000 ] - [ 0.0004184800000000, -0.0006843300000000, 0.0003371900000000 ] - [ 0.0003074800000000, 0.0013752900000000, 0.0000883000000000 ] - [ 0.0000803200000000, 0.0032885600000000, -0.0001353400000000 ] - [ 0.0142120000000000, -0.0029276800000000, 0.0165398200000000 ] - [ -0.0009504200000000, -0.0003208400000000, -0.0004011600000000 ] - [ 0.0029102300000000, 0.0000785200000000, -0.0007563500000000 ] - [ 0.0024819900000000, -0.0028472500000000, 0.0057909000000000 ] - [ 0.0009021400000000, -0.0009421100000000, -0.0004960200000000 ] - [ -0.0000812500000000, -0.0021596700000000, 0.0000520300000000 ] - [ -0.0003163700000000, 0.0023822100000000, -0.0002175500000000 ] - [ 0.0017492200000000, 0.0060585200000000, -0.0043239400000000 ] - [ 0.0001673900000000, 0.0013661300000000, 0.0001272300000000 ] - [ 0.0003911400000000, 0.0005704400000000, -0.0002876000000000 ] - [ -0.0013907800000000, 0.0020100800000000, 0.0030752600000000 ] - [ -0.0009092100000000, 0.0048988400000000, -0.0080676500000000 ] - [ 0.0038220100000000, -0.0007433600000000, -0.0000988300000000 ] - [ -0.0001391600000000, 0.0000656600000000, 0.0000187700000000 ] - [ 0.0001552500000000, -0.0011183000000000, -0.0003363700000000 ] - [ -0.0009726200000000, 0.0025828500000000, -0.0003853300000000 ] - [ 0.0002057100000000, -0.0005499500000000, 0.0002510400000000 ] - [ -0.0001724100000000, 0.0019171600000000, -0.0003311800000000 ] - [ -0.0001422300000000, 0.0002428200000000, 0.0001303700000000 ] - [ -0.0005647500000000, -0.0001738000000000, 0.0003107000000000 ] - [ 0.0002506600000000, 0.0009152000000000, -0.0001135900000000 ] - [ -0.0002457500000000, 0.0006939200000000, 0.0006829100000000 ] - [ -0.0006474400000000, 0.0000112000000000, -0.0001578700000000 ] - [ 0.0003582700000000, -0.0033406100000000, 0.0001012300000000 ] - [ 0.0008119000000000, 0.0055123700000000, 0.0037807500000000 ] - [ -0.0005825300000000, 0.0036987300000000, 0.0005097500000000 ] - [ 0.0011812200000000, -0.0007440800000000, 0.0000065400000000 ] - [ -0.0006022100000000, 0.0000985500000000, -0.0000061200000000 ] - [ 0.0000733800000000, 0.0016290600000000, -0.0015827200000000 ] - [ -0.0004601300000000, -0.0000269700000000, -0.0002678200000000 ] - [ -0.0007521900000000, -0.0004106100000000, -0.0001379100000000 ] - [ 0.0002739200000000, -0.0031896900000000, 0.0005252900000000 ] - [ -0.0014109300000000, 0.0004358100000000, 0.0000000500000000 ] - [ -0.0066903900000000, 0.0234358800000000, -0.0015550300000000 ] - [ 0.0000845700000000, 0.0004410300000000, 0.0000141800000000 ] - [ 0.0002681400000000, -0.0010356600000000, 0.0000229700000000 ] - [ 0.0069722700000000, -0.0030208800000000, 0.0016238500000000 ]- atom: 26 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0122701700000000, -0.0146988900000000, 0.0022425800000000 ] - [ 0.0097416500000000, -0.0048479500000000, 0.0109704700000000 ] - [ -0.0004517500000000, -0.0024518100000000, -0.0007123400000000 ] - [ 0.0043099700000000, 0.0100977700000000, -0.0024985700000000 ] - [ -0.0003627500000000, 0.0014407300000000, -0.0000540200000000 ] - [ 0.0009343800000000, -0.0004630200000000, -0.0002173800000000 ] - [ 0.0004846900000000, 0.0001089700000000, -0.0004260300000000 ] - [ -0.0001075000000000, -0.0014099400000000, 0.0001447600000000 ] - [ 0.0006209800000000, 0.0003764600000000, -0.0005401800000000 ] - [ -0.0000546000000000, -0.0006526300000000, 0.0007514600000000 ] - [ 0.0006135100000000, 0.0003879300000000, -0.0008600300000000 ] - [ 0.0002010900000000, -0.0045549700000000, 0.0011333500000000 ] - [ -0.0000001000000000, -0.0001377500000000, 0.0005113500000000 ] - [ 0.0002894100000000, -0.0009043700000000, 0.0003225000000000 ] - [ -0.0057783600000000, 0.0020755800000000, -0.0076713200000000 ] - [ -0.0072271500000000, 0.0027934600000000, 0.0084695500000000 ] - [ 0.0005044300000000, -0.0019605400000000, -0.0006842200000000 ] - [ -0.0030581900000000, 0.0029693800000000, 0.0006595800000000 ] - [ 0.0002898600000000, -0.0015870400000000, -0.0004930300000000 ] - [ 0.0001216300000000, 0.0004583200000000, 0.0006779200000000 ] - [ -0.0000795600000000, 0.0010503700000000, 0.0005814700000000 ] - [ 0.0000596600000000, 0.0003140500000000, 0.0006132200000000 ] - [ 0.0000076900000000, -0.0002005800000000, -0.0006066200000000 ] - [ -0.0000575000000000, -0.0004352700000000, -0.0006458200000000 ] - [ -0.0004612400000000, -0.0019493400000000, 0.0030332100000000 ] - [ -0.0081856800000000, 0.2636528800000000, -0.0298056500000000 ] - [ -0.0107325900000000, -0.0077699900000000, 0.0062950200000000 ] - [ -0.0027947300000000, -0.0015902500000000, 0.0011698700000000 ] - [ 0.0012446400000000, -0.0051328200000000, -0.0015684700000000 ] - [ 0.0009318600000000, -0.0006107100000000, -0.0003361900000000 ] - [ -0.0002663000000000, -0.0010419300000000, -0.0001387100000000 ] - [ -0.0018600500000000, -0.0015732800000000, -0.0030838500000000 ] - [ 0.0009246200000000, -0.0056267800000000, 0.0007963600000000 ] - [ -0.0070801800000000, -0.0015553500000000, -0.0024381800000000 ] - [ -0.0102253600000000, -0.0061766200000000, -0.0055737200000000 ] - [ 0.0019567800000000, 0.0000425300000000, 0.0006714100000000 ] - [ -0.0063932400000000, -0.0250078200000000, -0.0266189600000000 ] - [ 0.0217713600000000, 0.0043202200000000, -0.0029588900000000 ] - [ 0.0013296500000000, -0.1101182800000000, -0.0056544500000000 ] - [ -0.0051018200000000, -0.0156566100000000, 0.0121879700000000 ] - [ -0.0034941800000000, 0.0115433200000000, -0.0012588400000000 ] - [ 0.0029607100000000, -0.0007184900000000, -0.0008064400000000 ] - [ -0.0136198900000000, 0.0111660700000000, 0.0001975200000000 ] - [ 0.0038200500000000, -0.0170839700000000, -0.0085160200000000 ] - [ 0.0001279900000000, 0.0030725000000000, -0.0001894600000000 ] - [ 0.0024451900000000, -0.0004515400000000, 0.0010581500000000 ] - [ 0.0017664900000000, -0.0183873200000000, 0.0055708900000000 ] - [ 0.0006918600000000, -0.0003659000000000, 0.0001895600000000 ] - [ 0.0004020600000000, 0.0004383000000000, -0.0007619800000000 ] - [ 0.0001646600000000, -0.0017734500000000, 0.0001848500000000 ] - [ -0.0009684800000000, 0.0005885000000000, -0.0001941200000000 ] - [ -0.0027790600000000, 0.0033296100000000, -0.0010899100000000 ] - [ 0.0027610400000000, 0.0045242300000000, 0.0014801300000000 ] - [ 0.0012375400000000, 0.0015664400000000, 0.0036467100000000 ] - [ 0.0005212100000000, -0.0008599600000000, -0.0000366900000000 ] - [ 0.0004934700000000, -0.0000644900000000, 0.0002331100000000 ] - [ 0.0034498900000000, 0.0065052500000000, -0.0024361400000000 ] - [ -0.0035775700000000, 0.0038042600000000, 0.0008084100000000 ] - [ -0.0006971200000000, 0.0001734500000000, 0.0007306300000000 ] - [ 0.0023096200000000, -0.0027315100000000, -0.0000306100000000 ] - [ 0.0005043600000000, 0.0014856800000000, 0.0000394300000000 ] - [ 0.0066618000000000, -0.0050955900000000, 0.0009148400000000 ] - [ 0.0022282500000000, -0.0009667700000000, 0.0006567900000000 ] - [ -0.0000142300000000, 0.0010922900000000, -0.0003959300000000 ] - [ 0.0006067300000000, -0.0013017400000000, 0.0001245000000000 ] - [ 0.0375260200000000, 0.0045757100000000, 0.0092601900000000 ] - [ -0.0026270000000000, -0.0060617500000000, 0.0000351000000000 ] - [ 0.0012838700000000, 0.0008925500000000, -0.0000879600000000 ] - [ -0.0014726200000000, -0.0032092700000000, 0.0000646100000000 ] - [ 0.0480869700000000, 0.0032137600000000, -0.0052141500000000 ] - [ 0.0010519000000000, 0.0015524100000000, -0.0002813700000000 ] - [ 0.0022348600000000, 0.0022656000000000, -0.0054214600000000 ] - [ 0.0025667400000000, 0.0040896400000000, -0.0000358900000000 ] - [ -0.0004585200000000, 0.0038072600000000, -0.0007748000000000 ] - [ -0.0019743500000000, 0.0031766400000000, 0.0031672600000000 ] - [ 0.0006166900000000, -0.0004558300000000, 0.0000546000000000 ] - [ 0.0001495400000000, 0.0073871600000000, -0.0012176200000000 ] - [ -0.0010632700000000, -0.0022409100000000, -0.0016280400000000 ] - [ -0.0001522800000000, 0.0006407600000000, 0.0001709700000000 ] - [ -0.0004680000000000, -0.0006213700000000, -0.0003856900000000 ] - [ -0.0022846100000000, 0.0018211000000000, 0.0008861800000000 ] - [ 0.0007062700000000, 0.0030998000000000, 0.0029629300000000 ] - [ 0.0095032500000000, 0.0018024000000000, 0.0027497300000000 ] - [ -0.0011826100000000, -0.0181297000000000, -0.0156725100000000 ] - [ 0.0020049400000000, 0.0005220300000000, 0.0005762100000000 ] - [ -0.0013629500000000, 0.0000456700000000, 0.0000501900000000 ] - [ -0.0022424100000000, 0.0024512700000000, -0.0023162300000000 ] - [ 0.0053655700000000, 0.0211398600000000, 0.0151518300000000 ] - [ -0.0012959300000000, -0.0881314300000000, 0.0671003300000000 ] - [ 0.0005976400000000, 0.0125347600000000, 0.0022531900000000 ] - [ 0.0003543100000000, 0.0031672600000000, 0.0004570600000000 ] - [ -0.0018372400000000, 0.0001265500000000, 0.0000397400000000 ] - [ 0.0036089600000000, 0.0010561300000000, -0.0034945100000000 ] - [ -0.0005197600000000, 0.0011488700000000, -0.0003793800000000 ] - [ -0.0003134700000000, -0.0003362500000000, 0.0003430600000000 ] - [ -0.0007255100000000, -0.0001188300000000, -0.0000105700000000 ] - [ -0.0005371000000000, -0.0012204000000000, 0.0005712200000000 ] - [ 0.0009105900000000, 0.0022188600000000, -0.0013302100000000 ] - [ -0.0003993200000000, 0.0009911700000000, -0.0004418700000000 ] - [ -0.0002178400000000, 0.0112582400000000, 0.0022024400000000 ] - [ 0.0003318500000000, 0.0038390600000000, -0.0030242300000000 ] - [ -0.0008674100000000, 0.0002558400000000, 0.0000169300000000 ] - [ -0.0008655500000000, 0.0000827100000000, -0.0000953100000000 ] - [ -0.0295076200000000, 0.0051025200000000, 0.0003076800000000 ] - [ 0.0010444000000000, -0.0005606400000000, 0.0005216900000000 ] - [ 0.0004607700000000, -0.0043675900000000, -0.0056202900000000 ] - [ -0.0002650400000000, 0.0008296600000000, 0.0000531000000000 ] - [ 0.0103179900000000, 0.0088125800000000, 0.0005971600000000 ] - [ -0.0001506600000000, 0.0014651200000000, -0.0001684700000000 ] - [ -0.0002239700000000, 0.0014935500000000, 0.0009645100000000 ] - [ 0.0030763300000000, 0.0004347100000000, 0.0027359500000000 ] - [ 0.0007458100000000, 0.0019730600000000, 0.0001639000000000 ] - [ 0.0050900800000000, 0.0005806200000000, 0.0002341600000000 ] - [ -0.0008257100000000, 0.0022080300000000, -0.0003977100000000 ] - [ -0.0007406600000000, -0.0069473200000000, -0.0005625600000000 ] - [ -0.0004744700000000, 0.0009150400000000, 0.0003761700000000 ] - [ 0.0008821000000000, 0.0033532800000000, 0.0010323700000000 ] - [ -0.0011376300000000, -0.0002686600000000, -0.0008021900000000 ] - [ -0.0082231700000000, -0.0223125200000000, 0.0026782400000000 ] - [ 0.0018808500000000, 0.0004289100000000, -0.0006392900000000 ] - [ 0.0042111800000000, 0.0169911200000000, -0.0118266100000000 ] - [ 0.0049540100000000, -0.0002108500000000, -0.0022507400000000 ] - [ -0.0017093300000000, -0.0066516400000000, 0.0015698400000000 ] - [ 0.0044592500000000, 0.0008030200000000, -0.0002060300000000 ] - [ -0.0003782500000000, 0.0008421700000000, -0.0000115200000000 ] - [ 0.0001131900000000, 0.0090885700000000, -0.0021185800000000 ] - [ 0.0003163200000000, -0.0027806900000000, 0.0038845400000000 ] - [ -0.0026352500000000, 0.0001166600000000, -0.0000294800000000 ] - [ 0.0012940900000000, -0.0002307300000000, -0.0005008200000000 ] - [ -0.0021901800000000, 0.0001269200000000, 0.0003944000000000 ] - [ -0.0050845800000000, -0.0012310600000000, -0.0013856400000000 ] - [ 0.0001285000000000, -0.0001096000000000, 0.0001718400000000 ] - [ 0.0000152500000000, -0.0012533100000000, -0.0000266100000000 ] - [ -0.0001927100000000, 0.0014274800000000, 0.0002373300000000 ] - [ -0.0011884600000000, 0.0001121500000000, -0.0002205100000000 ] - [ -0.0041481300000000, 0.0018997700000000, 0.0063239300000000 ] - [ -0.0017754700000000, -0.0000577800000000, -0.0002495200000000 ] - [ -0.0001853600000000, -0.0000016200000000, -0.0003923000000000 ] - [ 0.0007565700000000, -0.0005831000000000, 0.0000017800000000 ] - [ -0.0001864000000000, 0.0016358600000000, -0.0002918700000000 ] - [ -0.0000953600000000, -0.0007033700000000, -0.0004207900000000 ] - [ -0.0122319900000000, -0.0212449700000000, -0.0057016500000000 ] - [ -0.0092081900000000, -0.0017170400000000, 0.0009172700000000 ] - [ -0.0004247500000000, -0.0002508900000000, -0.0003470900000000 ] - [ -0.0000217500000000, 0.0015575400000000, -0.0000280700000000 ] - [ 0.0000888200000000, -0.0005059200000000, -0.0003955300000000 ] - [ -0.0000219400000000, -0.0024012300000000, 0.0003915700000000 ] - [ -0.0157128000000000, 0.0033509400000000, -0.0167428600000000 ] - [ 0.0008665900000000, -0.0004493400000000, 0.0002334900000000 ] - [ -0.0013606000000000, -0.0000806000000000, 0.0007507800000000 ] - [ -0.0020178100000000, 0.0025393800000000, -0.0057847700000000 ] - [ -0.0013549300000000, 0.0006299200000000, 0.0004829900000000 ] - [ -0.0003076600000000, 0.0012877900000000, 0.0002568300000000 ] - [ 0.0003718900000000, -0.0032605000000000, 0.0004725600000000 ] - [ -0.0021800200000000, -0.0057386500000000, 0.0043219300000000 ] - [ -0.0002177800000000, -0.0004881700000000, 0.0001307300000000 ] - [ 0.0000772700000000, -0.0002615400000000, 0.0003081300000000 ] - [ 0.0006752100000000, -0.0016144700000000, -0.0032852900000000 ] - [ 0.0001589300000000, -0.0048947800000000, 0.0080359900000000 ] - [ -0.0037909300000000, 0.0000964600000000, 0.0001014300000000 ] - [ 0.0001591200000000, 0.0005810300000000, -0.0000173200000000 ] - [ -0.0002062100000000, 0.0002333100000000, 0.0000767600000000 ] - [ 0.0010531100000000, -0.0018011300000000, 0.0005649400000000 ] - [ -0.0001092300000000, -0.0002168000000000, -0.0000708100000000 ] - [ -0.0002160600000000, -0.0027861500000000, 0.0000220000000000 ] - [ -0.0005618800000000, 0.0001514400000000, 0.0000899200000000 ] - [ 0.0001041200000000, -0.0001298300000000, -0.0003121900000000 ] - [ -0.0003358000000000, -0.0001374200000000, 0.0002968300000000 ] - [ 0.0017945100000000, -0.0006604400000000, -0.0007034100000000 ] - [ -0.0008851100000000, -0.0000096200000000, 0.0001604300000000 ] - [ -0.0002989700000000, 0.0042214400000000, -0.0003580600000000 ] - [ -0.0008899800000000, -0.0047213800000000, -0.0039549700000000 ] - [ 0.0001925300000000, -0.0028209800000000, -0.0008146300000000 ] - [ -0.0011703300000000, -0.0003816700000000, 0.0001382100000000 ] - [ 0.0006259300000000, 0.0010258100000000, 0.0001521100000000 ] - [ 0.0006743400000000, -0.0016266700000000, 0.0015853000000000 ] - [ -0.0002278700000000, -0.0003618000000000, 0.0000450400000000 ] - [ 0.0007623000000000, -0.0007155400000000, -0.0000072700000000 ] - [ -0.0006590100000000, 0.0040625000000000, -0.0002170500000000 ] - [ 0.0021647200000000, -0.0007616300000000, 0.0002758900000000 ] - [ 0.0074248500000000, -0.0232710200000000, 0.0016449900000000 ] - [ -0.0001338400000000, -0.0013278200000000, 0.0002413400000000 ] - [ 0.0001261100000000, 0.0001593600000000, 0.0002859500000000 ] - [ -0.0070268000000000, 0.0022701200000000, -0.0014363100000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002665700000000, -0.0013194200000000, -0.0078969200000000 ] - [ 0.0074321100000000, -0.0056421700000000, 0.0055279500000000 ] - [ 0.0002794300000000, -0.0004067700000000, 0.0021503500000000 ] - [ -0.0139803200000000, -0.0010842600000000, 0.0168492000000000 ] - [ -0.0001418200000000, 0.0004341900000000, -0.0009790300000000 ] - [ -0.0007094300000000, 0.0010425100000000, 0.0003334300000000 ] - [ -0.0002044200000000, -0.0005019800000000, 0.0007389400000000 ] - [ 0.0000198100000000, -0.0003679300000000, 0.0002505000000000 ] - [ 0.0002392100000000, -0.0000908200000000, -0.0008289900000000 ] - [ 0.0001059300000000, -0.0001441700000000, 0.0002605300000000 ] - [ -0.0002975500000000, 0.0002312500000000, -0.0003647000000000 ] - [ -0.0001571700000000, 0.0000787900000000, -0.0012039600000000 ] - [ 0.0001301700000000, 0.0000664100000000, 0.0010934900000000 ] - [ -0.0002130700000000, 0.0001637800000000, 0.0021534400000000 ] - [ 0.0038367100000000, 0.0024222700000000, 0.0055332200000000 ] - [ -0.0058642500000000, -0.0035259500000000, 0.0075946300000000 ] - [ -0.0006109500000000, 0.0006187100000000, -0.0006776200000000 ] - [ 0.0005499500000000, 0.0000585200000000, -0.0010840800000000 ] - [ 0.0007314600000000, -0.0004831000000000, -0.0006961900000000 ] - [ -0.0002885500000000, -0.0000086600000000, 0.0004661900000000 ] - [ 0.0000541100000000, 0.0000614400000000, 0.0013112800000000 ] - [ -0.0001274200000000, 0.0001100000000000, 0.0007909800000000 ] - [ -0.0002586600000000, 0.0000070800000000, -0.0006298300000000 ] - [ -0.0000260300000000, -0.0000771100000000, -0.0006600200000000 ] - [ -0.0005414300000000, -0.0006358500000000, 0.0026896300000000 ] - [ 0.0130240700000000, 0.0297675500000000, -0.1801431000000000 ] - [ -0.0015972600000000, -0.0010900500000000, -0.0034363800000000 ] - [ -0.0038696000000000, -0.0014511600000000, 0.0008188800000000 ] - [ -0.0016358400000000, -0.0008786100000000, -0.0000527600000000 ] - [ -0.0003160100000000, -0.0004254700000000, 0.0007907700000000 ] - [ -0.0004417100000000, -0.0004544400000000, 0.0056916200000000 ] - [ 0.0008122100000000, 0.0002003800000000, 0.0027205300000000 ] - [ 0.0025665400000000, 0.0010870300000000, -0.0012095600000000 ] - [ 0.0070442100000000, 0.0003883800000000, 0.0000306800000000 ] - [ 0.0019953200000000, 0.0016872800000000, -0.0017909400000000 ] - [ 0.0007303000000000, 0.0003764100000000, 0.0022603300000000 ] - [ 0.0053861300000000, 0.0212703500000000, 0.0213720900000000 ] - [ -0.0021896000000000, 0.0020534100000000, -0.0019195900000000 ] - [ -0.0033268900000000, 0.0118094400000000, -0.0661574300000000 ] - [ -0.0022035500000000, -0.0124261400000000, 0.0124146900000000 ] - [ 0.0016242000000000, -0.0011326000000000, 0.0103195600000000 ] - [ -0.0001062600000000, 0.0002401600000000, -0.0001982300000000 ] - [ -0.0073240000000000, 0.0001007300000000, -0.0038799400000000 ] - [ 0.0004390900000000, -0.0027210900000000, 0.0011410400000000 ] - [ 0.0003443800000000, -0.0004882500000000, 0.0029346200000000 ] - [ -0.0000243700000000, 0.0007730300000000, -0.0010169300000000 ] - [ -0.0004114700000000, 0.0058231800000000, -0.0010162600000000 ] - [ 0.0001094400000000, 0.0001577700000000, 0.0004796900000000 ] - [ 0.0010164700000000, -0.0001633900000000, 0.0006740400000000 ] - [ -0.0004794600000000, 0.0001059800000000, -0.0001541900000000 ] - [ -0.0002384500000000, -0.0002273700000000, -0.0017127500000000 ] - [ 0.0012264700000000, 0.0007929700000000, 0.0001593300000000 ] - [ 0.0032175400000000, 0.0004756000000000, 0.0004982400000000 ] - [ 0.0023602800000000, -0.0009322600000000, 0.0094211100000000 ] - [ -0.0005077200000000, -0.0003252200000000, 0.0007309400000000 ] - [ -0.0008604300000000, -0.0002276300000000, 0.0012913100000000 ] - [ -0.0041830500000000, -0.0021560500000000, 0.0007852700000000 ] - [ -0.0017016700000000, -0.0011465800000000, -0.0002543400000000 ] - [ -0.0020018100000000, -0.0002719100000000, -0.0003326600000000 ] - [ 0.0000759000000000, -0.0003127200000000, 0.0024271300000000 ] - [ -0.0005307100000000, 0.0000557000000000, -0.0002032200000000 ] - [ -0.0003413200000000, 0.0003879200000000, -0.0039086600000000 ] - [ -0.0003719800000000, 0.0000107100000000, -0.0004381100000000 ] - [ -0.0000330900000000, 0.0001073300000000, 0.0000164300000000 ] - [ 0.0000536200000000, -0.0003148700000000, 0.0006304600000000 ] - [ 0.0430113400000000, -0.0070984400000000, -0.0066826200000000 ] - [ 0.0000057400000000, 0.0002572200000000, -0.0008560700000000 ] - [ 0.0007970800000000, -0.0001103200000000, -0.0002011000000000 ] - [ -0.0005642200000000, -0.0003200600000000, 0.0014440900000000 ] - [ -0.0433678700000000, 0.0056912500000000, -0.0131475100000000 ] - [ -0.0017481600000000, 0.0000153400000000, -0.0005124400000000 ] - [ -0.0038864400000000, 0.0005712300000000, 0.0091453000000000 ] - [ -0.0002712600000000, -0.0000366300000000, 0.0014522700000000 ] - [ -0.0021447900000000, 0.0008773300000000, 0.0000594400000000 ] - [ 0.0007219500000000, -0.0000228400000000, 0.0002907800000000 ] - [ 0.0002220200000000, -0.0001238400000000, -0.0015915400000000 ] - [ -0.0000832700000000, 0.0040208600000000, -0.0030361800000000 ] - [ -0.0006965900000000, -0.0007201400000000, -0.0015753700000000 ] - [ 0.0005431200000000, 0.0006133600000000, -0.0005636900000000 ] - [ 0.0001523600000000, -0.0003652900000000, 0.0001202000000000 ] - [ 0.0012481700000000, 0.0004334400000000, -0.0002476100000000 ] - [ -0.0005629100000000, 0.0011173000000000, -0.0000291600000000 ] - [ -0.0093518900000000, -0.0024622500000000, -0.0014672900000000 ] - [ 0.0009456600000000, -0.0038359400000000, 0.0563129200000000 ] - [ 0.0000635000000000, -0.0004179500000000, -0.0008996800000000 ] - [ -0.0001931800000000, -0.0000403400000000, 0.0003909500000000 ] - [ 0.0003024100000000, -0.0013033000000000, 0.0014500100000000 ] - [ 0.0001461600000000, -0.0000330600000000, 0.0031895800000000 ] - [ -0.0011591900000000, -0.0454259700000000, 0.0843758200000000 ] - [ -0.0006391700000000, -0.0057239800000000, 0.0007057500000000 ] - [ -0.0005426200000000, -0.0005493600000000, -0.0003862000000000 ] - [ -0.0005193700000000, -0.0001222400000000, 0.0001503200000000 ] - [ 0.0015854600000000, 0.0019071500000000, -0.0006091000000000 ] - [ -0.0001801200000000, 0.0000059400000000, -0.0007124200000000 ] - [ 0.0003477800000000, -0.0003130500000000, -0.0001427800000000 ] - [ -0.0002266400000000, -0.0001940900000000, -0.0004761300000000 ] - [ 0.0007278300000000, -0.0013093300000000, -0.0021172000000000 ] - [ 0.0001639700000000, -0.0000231900000000, 0.0007471100000000 ] - [ -0.0007139800000000, -0.0002601900000000, 0.0002194600000000 ] - [ 0.0002757200000000, -0.0063242000000000, -0.0028801400000000 ] - [ 0.0009276100000000, -0.0010965400000000, 0.0005017600000000 ] - [ -0.0002728800000000, -0.0000215300000000, -0.0004044400000000 ] - [ -0.0003769200000000, 0.0001995500000000, -0.0002441100000000 ] - [ 0.0031050200000000, 0.0004290900000000, 0.0056110400000000 ] - [ -0.0012824300000000, 0.0003651500000000, -0.0019591200000000 ] - [ -0.0002782900000000, 0.0002217500000000, -0.0062621900000000 ] - [ 0.0000675100000000, 0.0003745600000000, -0.0003814100000000 ] - [ -0.0007462700000000, -0.0007233800000000, 0.0055983300000000 ] - [ 0.0000639200000000, 0.0004935200000000, -0.0009754400000000 ] - [ -0.0007984700000000, 0.0016142200000000, -0.0019159000000000 ] - [ -0.0016300900000000, -0.0018998100000000, -0.0006954100000000 ] - [ 0.0000553700000000, 0.0003551200000000, -0.0014331600000000 ] - [ 0.0002093000000000, -0.0003998900000000, 0.0005203100000000 ] - [ -0.0000584100000000, -0.0009091200000000, -0.0015587500000000 ] - [ 0.0015076100000000, -0.0006389500000000, 0.0012840800000000 ] - [ 0.0003354400000000, 0.0006079800000000, -0.0002474700000000 ] - [ -0.0004651300000000, 0.0001925300000000, 0.0008392500000000 ] - [ -0.0002805600000000, -0.0005785300000000, -0.0011724100000000 ] - [ -0.0037691800000000, -0.0029125500000000, 0.0172776800000000 ] - [ 0.0008078800000000, 0.0007336900000000, -0.0008436600000000 ] - [ -0.0005632700000000, -0.0011006300000000, 0.0066694800000000 ] - [ 0.0047321600000000, 0.0017658100000000, -0.0016469600000000 ] - [ -0.0004828500000000, -0.0014454500000000, 0.0026832400000000 ] - [ 0.0006667900000000, 0.0003284700000000, 0.0008865100000000 ] - [ 0.0003559600000000, 0.0000712400000000, 0.0003586300000000 ] - [ 0.0004101000000000, 0.0037493000000000, 0.0003448300000000 ] - [ 0.0000822500000000, -0.0013789000000000, -0.0057169300000000 ] - [ 0.0006268700000000, -0.0008088000000000, 0.0005595300000000 ] - [ 0.0012159700000000, 0.0008519200000000, 0.0006950000000000 ] - [ 0.0024824900000000, 0.0004633500000000, -0.0004502600000000 ] - [ -0.0039920500000000, 0.0009164000000000, 0.0019763800000000 ] - [ 0.0003377700000000, -0.0000697300000000, -0.0006037600000000 ] - [ 0.0002129900000000, -0.0005267700000000, -0.0003965800000000 ] - [ 0.0002893700000000, -0.0005754600000000, -0.0008436000000000 ] - [ -0.0011122100000000, 0.0011491000000000, -0.0016078000000000 ] - [ 0.0050303200000000, -0.0016744000000000, -0.0038899700000000 ] - [ -0.0015332700000000, 0.0003760600000000, -0.0003233100000000 ] - [ 0.0002416200000000, 0.0003965800000000, -0.0004229900000000 ] - [ 0.0011237600000000, -0.0001538400000000, 0.0000943600000000 ] - [ 0.0000768200000000, 0.0004778400000000, 0.0000272100000000 ] - [ 0.0012929900000000, -0.0002912700000000, -0.0014934300000000 ] - [ 0.0104627300000000, 0.0051133500000000, 0.0191256200000000 ] - [ 0.0073431300000000, -0.0003946600000000, 0.0017077900000000 ] - [ 0.0000053200000000, 0.0003299800000000, 0.0003583000000000 ] - [ 0.0002755500000000, 0.0004373400000000, 0.0003962700000000 ] - [ 0.0003653500000000, 0.0006149500000000, 0.0001316800000000 ] - [ 0.0005676900000000, 0.0014227700000000, -0.0004433400000000 ] - [ -0.0183055400000000, 0.0122224100000000, -0.0008984400000000 ] - [ -0.0010114700000000, 0.0001221700000000, 0.0002708600000000 ] - [ 0.0027371100000000, -0.0006559700000000, -0.0015844800000000 ] - [ -0.0031206600000000, 0.0012769600000000, -0.0042423800000000 ] - [ -0.0001360400000000, -0.0001814400000000, -0.0040186300000000 ] - [ -0.0003494300000000, -0.0004438900000000, -0.0004328000000000 ] - [ -0.0005148800000000, -0.0010922500000000, 0.0003839500000000 ] - [ 0.0050678600000000, -0.0008818600000000, -0.0029551200000000 ] - [ 0.0001153700000000, 0.0005189200000000, -0.0000286100000000 ] - [ 0.0004589100000000, 0.0000549200000000, 0.0002326000000000 ] - [ -0.0011961800000000, -0.0015258500000000, -0.0058627300000000 ] - [ 0.0004141500000000, 0.0031812300000000, -0.0077619900000000 ] - [ 0.0005768000000000, -0.0004501400000000, 0.0005917500000000 ] - [ 0.0002787900000000, 0.0003131900000000, -0.0001742900000000 ] - [ 0.0000460600000000, -0.0004286200000000, -0.0003608600000000 ] - [ 0.0000968500000000, 0.0002893400000000, -0.0043515900000000 ] - [ 0.0002891500000000, -0.0001543200000000, 0.0007683700000000 ] - [ -0.0005488200000000, -0.0008958300000000, -0.0006671000000000 ] - [ -0.0000759900000000, 0.0004643100000000, -0.0003063900000000 ] - [ 0.0006638100000000, -0.0003491700000000, -0.0002812400000000 ] - [ -0.0001394100000000, 0.0003126400000000, -0.0006496100000000 ] - [ 0.0025066300000000, 0.0004638500000000, 0.0004835400000000 ] - [ -0.0006953400000000, -0.0001157700000000, -0.0002454600000000 ] - [ -0.0000707100000000, 0.0003215700000000, 0.0005040200000000 ] - [ -0.0040316400000000, 0.0010237200000000, -0.0047712800000000 ] - [ 0.0002909100000000, 0.0015825600000000, 0.0004799100000000 ] - [ 0.0002485300000000, -0.0005847800000000, -0.0002968100000000 ] - [ 0.0002895500000000, 0.0005488400000000, 0.0002376900000000 ] - [ -0.0004299400000000, 0.0010777800000000, -0.0012914100000000 ] - [ 0.0000688200000000, -0.0004037500000000, 0.0003415400000000 ] - [ -0.0004785600000000, -0.0007717900000000, -0.0000307900000000 ] - [ 0.0000157300000000, 0.0001074300000000, 0.0008753000000000 ] - [ 0.0004946100000000, 0.0017867100000000, 0.0024891000000000 ] - [ 0.0063151900000000, -0.0017488400000000, 0.0257118800000000 ] - [ 0.0000208600000000, -0.0006767600000000, 0.0002561300000000 ] - [ 0.0002661600000000, -0.0004031600000000, -0.0000297200000000 ] - [ 0.0002445300000000, -0.0002624600000000, 0.0114743100000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002516700000000, 0.0022152600000000, 0.0074910300000000 ] - [ -0.0074044700000000, 0.0065729600000000, -0.0050840200000000 ] - [ -0.0002759600000000, -0.0005633300000000, -0.0026168000000000 ] - [ 0.0142568800000000, 0.0001171400000000, -0.0166072800000000 ] - [ 0.0001354800000000, 0.0005305100000000, 0.0005285800000000 ] - [ 0.0007015900000000, -0.0000752200000000, 0.0001191300000000 ] - [ 0.0001983200000000, -0.0004674700000000, -0.0011979900000000 ] - [ -0.0000244200000000, -0.0005978900000000, 0.0002058500000000 ] - [ -0.0000469200000000, -0.0000938600000000, -0.0004566500000000 ] - [ 0.0000897700000000, -0.0000436200000000, 0.0010224500000000 ] - [ 0.0004935000000000, -0.0000457200000000, -0.0009023800000000 ] - [ -0.0000373800000000, -0.0002535100000000, 0.0024915500000000 ] - [ 0.0000665000000000, 0.0001195100000000, 0.0001832800000000 ] - [ 0.0000201900000000, 0.0000253900000000, -0.0008852100000000 ] - [ -0.0041040500000000, -0.0022741000000000, -0.0068919100000000 ] - [ 0.0056234900000000, 0.0032915800000000, -0.0088218200000000 ] - [ 0.0008115100000000, -0.0008040300000000, -0.0005995800000000 ] - [ -0.0003504100000000, -0.0002488600000000, 0.0023730600000000 ] - [ -0.0005385800000000, 0.0006767400000000, -0.0005810700000000 ] - [ 0.0000859200000000, -0.0001739200000000, 0.0008125000000000 ] - [ 0.0001404700000000, 0.0001224900000000, -0.0000346000000000 ] - [ -0.0000705300000000, 0.0000766600000000, 0.0004855500000000 ] - [ 0.0000607900000000, 0.0001791100000000, -0.0006491300000000 ] - [ -0.0001731400000000, -0.0001103700000000, -0.0006209300000000 ] - [ 0.0015681600000000, 0.0006293700000000, -0.0027061000000000 ] - [ -0.0126296300000000, -0.0259834900000000, 0.1786450800000000 ] - [ 0.0016276700000000, 0.0019070800000000, 0.0034343800000000 ] - [ 0.0043169100000000, 0.0012394000000000, -0.0011540300000000 ] - [ 0.0011695400000000, 0.0003312900000000, -0.0003500800000000 ] - [ 0.0003150800000000, -0.0003910400000000, -0.0007865000000000 ] - [ 0.0000524600000000, 0.0001852700000000, -0.0053731200000000 ] - [ -0.0008162200000000, -0.0010273200000000, -0.0027279000000000 ] - [ -0.0021738300000000, -0.0008688600000000, 0.0008559700000000 ] - [ -0.0075192900000000, 0.0001542100000000, -0.0004922500000000 ] - [ -0.0030010100000000, -0.0016992800000000, 0.0018117500000000 ] - [ -0.0003204100000000, -0.0006096800000000, -0.0019236100000000 ] - [ -0.0049285700000000, -0.0207173400000000, -0.0218510400000000 ] - [ 0.0016875000000000, -0.0014332900000000, 0.0023426800000000 ] - [ 0.0038308000000000, -0.0112181500000000, 0.0670912100000000 ] - [ 0.0018260100000000, 0.0123656200000000, -0.0128815800000000 ] - [ -0.0011407100000000, 0.0005953500000000, -0.0099485400000000 ] - [ 0.0011123500000000, -0.0002329600000000, 0.0002105100000000 ] - [ 0.0073989300000000, 0.0001539600000000, 0.0042250200000000 ] - [ 0.0000429900000000, 0.0022115500000000, -0.0015332200000000 ] - [ -0.0007964700000000, -0.0000658600000000, -0.0025322000000000 ] - [ 0.0000074700000000, 0.0000494700000000, 0.0010095700000000 ] - [ 0.0000238400000000, -0.0056147100000000, 0.0006607500000000 ] - [ -0.0011360200000000, -0.0001598500000000, -0.0004908900000000 ] - [ 0.0000000300000000, 0.0001656000000000, -0.0006921000000000 ] - [ 0.0000736600000000, 0.0001183500000000, 0.0005007400000000 ] - [ 0.0001905100000000, 0.0010276900000000, 0.0016949500000000 ] - [ -0.0008469100000000, -0.0010298600000000, -0.0005029600000000 ] - [ -0.0037491100000000, -0.0010598800000000, -0.0009343800000000 ] - [ -0.0023929500000000, 0.0001383200000000, -0.0094905600000000 ] - [ 0.0001001400000000, 0.0001047800000000, -0.0003876300000000 ] - [ 0.0008641600000000, -0.0005903900000000, -0.0012891000000000 ] - [ 0.0045631200000000, 0.0023702800000000, -0.0011323200000000 ] - [ 0.0012191900000000, 0.0017062500000000, -0.0001737400000000 ] - [ 0.0009659400000000, 0.0002503500000000, 0.0003709200000000 ] - [ 0.0003025400000000, 0.0001025800000000, -0.0020958700000000 ] - [ 0.0009998400000000, 0.0005076300000000, -0.0002216000000000 ] - [ -0.0001681900000000, 0.0001979300000000, 0.0043597000000000 ] - [ 0.0008255800000000, 0.0005462300000000, 0.0008657100000000 ] - [ -0.0003755400000000, -0.0003302900000000, -0.0003601500000000 ] - [ 0.0004148200000000, -0.0002457500000000, -0.0002098300000000 ] - [ -0.0425153800000000, 0.0072200800000000, 0.0067917600000000 ] - [ 0.0003861300000000, -0.0000255600000000, 0.0012062500000000 ] - [ -0.0003458300000000, -0.0004524200000000, -0.0002134200000000 ] - [ 0.0000795900000000, -0.0002359300000000, -0.0010276800000000 ] - [ 0.0433684100000000, -0.0047889700000000, 0.0131528200000000 ] - [ 0.0013363400000000, 0.0002117000000000, 0.0001594400000000 ] - [ 0.0028717200000000, -0.0005530800000000, -0.0091702000000000 ] - [ -0.0001943200000000, 0.0003443400000000, -0.0014685100000000 ] - [ 0.0021442600000000, 0.0002520500000000, -0.0002013300000000 ] - [ 0.0000375100000000, -0.0000033400000000, -0.0003148200000000 ] - [ 0.0002403200000000, -0.0001794700000000, 0.0015888800000000 ] - [ 0.0004697300000000, -0.0049284100000000, 0.0027398700000000 ] - [ 0.0007482100000000, -0.0001621800000000, 0.0013269000000000 ] - [ 0.0001648600000000, -0.0002170100000000, 0.0007825200000000 ] - [ -0.0000623700000000, -0.0004131100000000, -0.0002974800000000 ] - [ -0.0012652700000000, 0.0002105200000000, 0.0002412300000000 ] - [ 0.0006446600000000, -0.0003454600000000, -0.0001637500000000 ] - [ 0.0093660100000000, 0.0018069800000000, 0.0014670400000000 ] - [ -0.0009846400000000, 0.0031047500000000, -0.0581769900000000 ] - [ 0.0006509000000000, 0.0008116700000000, 0.0006765100000000 ] - [ -0.0005103800000000, -0.0003498300000000, -0.0001643400000000 ] - [ 0.0004166200000000, 0.0009022200000000, -0.0016653600000000 ] - [ -0.0009265800000000, -0.0000355300000000, -0.0032800900000000 ] - [ 0.0013716200000000, 0.0428388500000000, -0.0821176700000000 ] - [ 0.0010300500000000, 0.0066109900000000, -0.0010228300000000 ] - [ 0.0005967500000000, 0.0014392500000000, 0.0006518400000000 ] - [ -0.0010122600000000, 0.0001241400000000, -0.0001536400000000 ] - [ -0.0016686200000000, -0.0026785100000000, 0.0004323700000000 ] - [ 0.0017224500000000, 0.0000002400000000, 0.0007207800000000 ] - [ 0.0001180500000000, 0.0000029000000000, 0.0001466700000000 ] - [ -0.0002366000000000, -0.0001128300000000, 0.0004685800000000 ] - [ -0.0011330500000000, 0.0004435100000000, 0.0024411300000000 ] - [ -0.0001115000000000, -0.0008677300000000, -0.0004990400000000 ] - [ 0.0002601900000000, 0.0005726300000000, -0.0002041800000000 ] - [ -0.0003395500000000, 0.0072403600000000, 0.0031625900000000 ] - [ -0.0004781100000000, 0.0014132900000000, -0.0004868600000000 ] - [ -0.0004343400000000, 0.0004145900000000, 0.0001812700000000 ] - [ -0.0003706300000000, -0.0001993300000000, 0.0002447000000000 ] - [ -0.0030679000000000, -0.0010640800000000, -0.0056373400000000 ] - [ 0.0012568200000000, 0.0002805500000000, 0.0019703000000000 ] - [ 0.0002229900000000, -0.0010931800000000, 0.0060029200000000 ] - [ 0.0000191000000000, 0.0004029200000000, 0.0005659100000000 ] - [ 0.0008178400000000, -0.0000411400000000, -0.0054466200000000 ] - [ -0.0004586200000000, -0.0013780100000000, 0.0006661600000000 ] - [ 0.0000903300000000, -0.0012163100000000, 0.0021381500000000 ] - [ 0.0011853700000000, 0.0016111500000000, 0.0007051500000000 ] - [ -0.0001408000000000, 0.0004229000000000, 0.0016235100000000 ] - [ 0.0013285900000000, 0.0004017100000000, -0.0005234300000000 ] - [ -0.0014869300000000, 0.0009229100000000, 0.0015716500000000 ] - [ -0.0014373400000000, 0.0014624000000000, -0.0015899400000000 ] - [ -0.0004196100000000, 0.0001673600000000, 0.0000589100000000 ] - [ 0.0000726600000000, 0.0006851100000000, -0.0011475900000000 ] - [ 0.0002644300000000, -0.0005415600000000, 0.0013222200000000 ] - [ 0.0034651900000000, 0.0038272500000000, -0.0169786700000000 ] - [ -0.0000585600000000, -0.0007389400000000, 0.0008510600000000 ] - [ -0.0001631400000000, 0.0006705200000000, -0.0068982700000000 ] - [ -0.0047948600000000, -0.0029274700000000, 0.0015187100000000 ] - [ 0.0000931900000000, 0.0022835300000000, -0.0023436400000000 ] - [ 0.0000386600000000, -0.0007228300000000, -0.0006642700000000 ] - [ 0.0001076900000000, 0.0002372300000000, -0.0003699200000000 ] - [ -0.0004737500000000, -0.0046856600000000, -0.0000836300000000 ] - [ 0.0003037100000000, 0.0005247200000000, 0.0060927900000000 ] - [ -0.0006976000000000, 0.0000191300000000, -0.0003768400000000 ] - [ -0.0016156400000000, -0.0005148500000000, -0.0007182700000000 ] - [ -0.0024657000000000, 0.0006634500000000, 0.0003066100000000 ] - [ 0.0048066700000000, -0.0009306600000000, -0.0019865500000000 ] - [ 0.0001252400000000, -0.0002395600000000, 0.0005984600000000 ] - [ 0.0001812300000000, -0.0003485700000000, 0.0000877400000000 ] - [ -0.0002337800000000, -0.0003077900000000, 0.0005913300000000 ] - [ 0.0018427700000000, -0.0007683200000000, 0.0018475000000000 ] - [ -0.0049574900000000, 0.0008953300000000, 0.0037310700000000 ] - [ 0.0015749500000000, 0.0002706100000000, 0.0003235500000000 ] - [ -0.0001499300000000, 0.0003817400000000, 0.0002285500000000 ] - [ -0.0011192900000000, -0.0004924500000000, -0.0000961600000000 ] - [ -0.0001276500000000, 0.0004027000000000, -0.0002858400000000 ] - [ -0.0005942700000000, 0.0006802900000000, 0.0012730700000000 ] - [ -0.0115929000000000, -0.0040126000000000, -0.0174828600000000 ] - [ -0.0066363800000000, 0.0000031200000000, -0.0019458700000000 ] - [ -0.0007449700000000, -0.0003296200000000, -0.0003631600000000 ] - [ 0.0001201400000000, 0.0004338200000000, -0.0000875800000000 ] - [ 0.0000295600000000, 0.0002547200000000, -0.0004396800000000 ] - [ -0.0005107900000000, -0.0005351200000000, 0.0007044500000000 ] - [ 0.0168822000000000, -0.0119699200000000, 0.0005367500000000 ] - [ 0.0009342600000000, -0.0008967000000000, -0.0004378900000000 ] - [ -0.0011932500000000, 0.0006544800000000, 0.0015876200000000 ] - [ 0.0036015400000000, -0.0016032500000000, 0.0042613800000000 ] - [ -0.0003151600000000, -0.0001380200000000, 0.0040300000000000 ] - [ -0.0000387800000000, -0.0004322600000000, 0.0007432800000000 ] - [ 0.0005755700000000, 0.0002251400000000, -0.0001300500000000 ] - [ -0.0055063800000000, 0.0011606000000000, 0.0029789900000000 ] - [ -0.0001671600000000, 0.0003602100000000, 0.0002885500000000 ] - [ 0.0000074300000000, 0.0002535400000000, -0.0002116000000000 ] - [ 0.0004951800000000, 0.0019078200000000, 0.0056912000000000 ] - [ -0.0011690800000000, -0.0032293200000000, 0.0078226800000000 ] - [ -0.0005526400000000, -0.0001971600000000, -0.0005931500000000 ] - [ -0.0002631600000000, 0.0003330100000000, 0.0001769900000000 ] - [ -0.0000979700000000, -0.0004575300000000, 0.0001036900000000 ] - [ -0.0000107100000000, 0.0004884300000000, 0.0045589000000000 ] - [ -0.0001942000000000, -0.0006159000000000, -0.0005928800000000 ] - [ 0.0001637300000000, 0.0000348000000000, 0.0003597100000000 ] - [ -0.0006309800000000, -0.0000721100000000, 0.0005290300000000 ] - [ -0.0011302500000000, 0.0000447600000000, 0.0002801400000000 ] - [ 0.0000505100000000, 0.0004627000000000, 0.0008376100000000 ] - [ -0.0009663200000000, -0.0004458100000000, -0.0005131400000000 ] - [ -0.0008389700000000, 0.0001179200000000, 0.0002502300000000 ] - [ 0.0001282600000000, 0.0005538400000000, -0.0007654300000000 ] - [ 0.0039967600000000, -0.0002523300000000, 0.0046241300000000 ] - [ -0.0006820000000000, -0.0007040900000000, -0.0007874600000000 ] - [ -0.0002375300000000, -0.0005414000000000, 0.0004438900000000 ] - [ -0.0002768400000000, 0.0005762000000000, -0.0000938300000000 ] - [ 0.0011786600000000, -0.0010912500000000, 0.0013087600000000 ] - [ -0.0007587800000000, 0.0000144700000000, -0.0005659000000000 ] - [ 0.0004905100000000, -0.0003516600000000, -0.0001151800000000 ] - [ -0.0004043700000000, 0.0007613100000000, -0.0005700000000000 ] - [ 0.0002695400000000, -0.0021282600000000, -0.0022152200000000 ] - [ -0.0054222400000000, 0.0019953000000000, -0.0256544100000000 ] - [ -0.0000709700000000, -0.0002071500000000, -0.0000025500000000 ] - [ 0.0001270000000000, -0.0004748700000000, 0.0003391200000000 ] - [ -0.0003188400000000, -0.0005243100000000, -0.0113738200000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0017616500000000, -0.0012581300000000, -0.0021556100000000 ] - [ 0.0070106500000000, 0.0050046100000000, 0.0057771100000000 ] - [ 0.0011790400000000, -0.0000539700000000, 0.0019721900000000 ] - [ 0.0009696100000000, 0.0006503200000000, -0.0012012100000000 ] - [ 0.0069655100000000, -0.0040197500000000, 0.0052872000000000 ] - [ 0.0017585300000000, 0.0022212700000000, -0.0016968000000000 ] - [ 0.0009679300000000, -0.0016134800000000, -0.0016478400000000 ] - [ 0.0011816400000000, -0.0009030200000000, 0.0024212300000000 ] - [ 0.0011843700000000, -0.0000267000000000, -0.0004378900000000 ] - [ 0.0011597300000000, -0.0000662000000000, 0.0003755500000000 ] - [ 0.0009294100000000, 0.0000769200000000, -0.0008977800000000 ] - [ -0.0042191100000000, -0.0021184100000000, -0.0020560500000000 ] - [ 0.0009072800000000, 0.0000536800000000, 0.0009028900000000 ] - [ -0.0016319800000000, -0.0000726600000000, 0.0016498000000000 ] - [ -0.0017306500000000, 0.0001098600000000, -0.0016013100000000 ] - [ -0.0031439800000000, 0.0020611600000000, 0.0015845000000000 ] - [ -0.0039892800000000, 0.0019368000000000, -0.0033289900000000 ] - [ -0.0029088900000000, -0.0022698500000000, 0.0028527500000000 ] - [ -0.0014250100000000, 0.0002671900000000, 0.0003687200000000 ] - [ 0.0009872600000000, -0.0001611700000000, 0.0008386800000000 ] - [ -0.0015227300000000, 0.0000703100000000, -0.0003180200000000 ] - [ 0.0007313200000000, 0.0001104100000000, 0.0003797600000000 ] - [ 0.0007093400000000, 0.0001337400000000, -0.0003769200000000 ] - [ 0.0009628200000000, -0.0001211900000000, -0.0009043600000000 ] - [ -0.0202640700000000, 0.0075229600000000, 0.0058471300000000 ] - [ -0.0021288500000000, 0.0108397700000000, -0.0014387500000000 ] - [ -0.2034293700000000, 0.0007025600000000, -0.0032192600000000 ] - [ 0.0020914900000000, -0.0010500000000000, -0.0004896000000000 ] - [ 0.0025608800000000, -0.0006601500000000, -0.0010245500000000 ] - [ 0.0034350200000000, -0.0004057500000000, 0.0002966600000000 ] - [ -0.0015975300000000, 0.0011173800000000, 0.0025482900000000 ] - [ -0.0059232400000000, -0.0004066900000000, 0.0011863500000000 ] - [ 0.0111100100000000, -0.0008258100000000, -0.0003864500000000 ] - [ 0.0042537900000000, -0.0021263200000000, 0.0004909500000000 ] - [ -0.0212439100000000, -0.0074730000000000, 0.0062024600000000 ] - [ 0.0026384700000000, -0.0006147100000000, 0.0010365700000000 ] - [ -0.0021291100000000, -0.0108858100000000, 0.0018953200000000 ] - [ 0.0106917900000000, 0.0005270700000000, -0.0019067200000000 ] - [ 0.0124723100000000, 0.0353824200000000, -0.0441606800000000 ] - [ -0.0017225200000000, -0.0019724600000000, -0.0009902800000000 ] - [ -0.0009821800000000, 0.0001992700000000, 0.0018589200000000 ] - [ 0.0055306300000000, -0.0007980400000000, 0.0001474100000000 ] - [ 0.0043105000000000, 0.0025697100000000, 0.0001879100000000 ] - [ -0.0006731000000000, -0.0039596700000000, -0.0051033700000000 ] - [ 0.0016817600000000, 0.0005374200000000, 0.0009056300000000 ] - [ 0.0074673200000000, 0.0004054100000000, -0.0002769500000000 ] - [ 0.0148628900000000, -0.0483770700000000, 0.0434195500000000 ] - [ 0.0045019900000000, 0.0007982500000000, 0.0001495900000000 ] - [ 0.0042220600000000, -0.0004737100000000, -0.0001003700000000 ] - [ 0.0107109300000000, 0.0010651100000000, -0.0000426300000000 ] - [ 0.0048998500000000, 0.0004055300000000, 0.0002087800000000 ] - [ -0.0011610900000000, -0.0013606400000000, 0.0022046400000000 ] - [ -0.0014653900000000, -0.0007709100000000, 0.0014394000000000 ] - [ -0.0041737500000000, -0.0004074000000000, -0.0002641500000000 ] - [ 0.0016998300000000, 0.0008196500000000, -0.0001416200000000 ] - [ 0.0030515800000000, -0.0004069600000000, -0.0001549400000000 ] - [ -0.0017174300000000, -0.0105670100000000, -0.0017861500000000 ] - [ 0.0119212700000000, -0.0344688000000000, -0.0441557600000000 ] - [ 0.0031912200000000, 0.0004721200000000, -0.0001033500000000 ] - [ -0.0013231500000000, 0.0017506200000000, -0.0006383800000000 ] - [ 0.0111717200000000, 0.0000151100000000, -0.0023215000000000 ] - [ -0.0026079900000000, 0.0114045000000000, 0.0023298800000000 ] - [ 0.0047363300000000, 0.0026744200000000, 0.0009073000000000 ] - [ 0.0022501200000000, 0.0003796700000000, 0.0006873000000000 ] - [ 0.0030573200000000, 0.0001143100000000, -0.0006047900000000 ] - [ -0.0058654400000000, 0.0014483300000000, -0.0002249100000000 ] - [ 0.0151050400000000, 0.0481922100000000, 0.0433216300000000 ] - [ 0.0021725300000000, -0.0010852200000000, 0.0004868100000000 ] - [ -0.0011303400000000, 0.0034081200000000, -0.0046658700000000 ] - [ -0.0095781700000000, 0.0004062400000000, 0.0003320900000000 ] - [ 0.0039051800000000, -0.0023357500000000, -0.0001568500000000 ] - [ -0.0068895800000000, -0.0014493400000000, -0.0002240400000000 ] - [ 0.0236021300000000, 0.0103702500000000, 0.0036140000000000 ] - [ -0.0131679000000000, 0.0027542800000000, -0.0037792200000000 ] - [ -0.0022688400000000, 0.0014512300000000, 0.0015104500000000 ] - [ 0.0030546700000000, -0.0007860200000000, -0.0015224800000000 ] - [ 0.0008265800000000, 0.0004517600000000, -0.0001909600000000 ] - [ -0.0012676400000000, -0.0010739300000000, -0.0014191300000000 ] - [ -0.0015423900000000, 0.0002625200000000, 0.0000769900000000 ] - [ -0.0028975900000000, -0.0012212400000000, 0.0001026400000000 ] - [ -0.0016760900000000, 0.0006354300000000, 0.0002363100000000 ] - [ 0.0027585800000000, 0.0006562500000000, -0.0007280800000000 ] - [ -0.0035013200000000, 0.0004897200000000, -0.0003559000000000 ] - [ 0.0015321900000000, -0.0088838400000000, 0.0045844900000000 ] - [ 0.0030309600000000, 0.0002288200000000, 0.0000735500000000 ] - [ -0.0052700300000000, 0.0001893600000000, 0.0003625300000000 ] - [ -0.0045614000000000, -0.0005756800000000, 0.0001353700000000 ] - [ 0.0052048100000000, 0.0053753800000000, 0.0097068500000000 ] - [ -0.0002720300000000, -0.0105869000000000, 0.0019836400000000 ] - [ 0.0005130300000000, 0.0133462400000000, 0.0006421600000000 ] - [ -0.0013450500000000, 0.0017809900000000, -0.0005794800000000 ] - [ -0.0042335300000000, 0.0005847000000000, -0.0009337500000000 ] - [ 0.0213637300000000, -0.0103815600000000, -0.0068000500000000 ] - [ -0.0026988800000000, -0.0005834800000000, -0.0009342900000000 ] - [ -0.0013776200000000, -0.0003024800000000, -0.0001923800000000 ] - [ -0.0018346500000000, -0.0000023000000000, -0.0002030800000000 ] - [ -0.0007830300000000, -0.0004593200000000, 0.0001534600000000 ] - [ -0.0007464800000000, -0.0001605200000000, 0.0005734100000000 ] - [ -0.0033575700000000, -0.0007199000000000, -0.0000469400000000 ] - [ 0.0011603500000000, 0.0090847600000000, -0.0059403900000000 ] - [ 0.0237375200000000, -0.0098561600000000, 0.0032985100000000 ] - [ -0.0022523300000000, 0.0001303000000000, -0.0001450400000000 ] - [ -0.0030210800000000, -0.0014452400000000, 0.0015036400000000 ] - [ -0.0121633700000000, -0.0031001300000000, 0.0033902200000000 ] - [ -0.0007405600000000, 0.0003371700000000, -0.0000122600000000 ] - [ 0.0009176600000000, -0.0012772600000000, -0.0015466000000000 ] - [ -0.0014709800000000, 0.0005890300000000, -0.0000669400000000 ] - [ 0.0210996000000000, 0.0093644000000000, -0.0062636000000000 ] - [ -0.0008931900000000, 0.0000384200000000, -0.0003388600000000 ] - [ 0.0023427000000000, 0.0001585400000000, 0.0003044600000000 ] - [ 0.0025878600000000, 0.0004951100000000, -0.0015558800000000 ] - [ 0.0026503900000000, 0.0001006100000000, -0.0004958900000000 ] - [ 0.0077672300000000, 0.0020484100000000, -0.0075473400000000 ] - [ 0.0063149300000000, -0.0020560500000000, -0.0075762000000000 ] - [ -0.0012177300000000, -0.0010746100000000, 0.0006322200000000 ] - [ -0.0015529600000000, 0.0001827500000000, -0.0002472900000000 ] - [ -0.0014634000000000, 0.0016603400000000, 0.0002737000000000 ] - [ -0.0009393400000000, -0.0010495400000000, -0.0008259200000000 ] - [ -0.0031345000000000, -0.0001463100000000, 0.0002701100000000 ] - [ 0.0059110900000000, -0.0053815200000000, 0.0096800600000000 ] - [ 0.0475822200000000, 0.0038146600000000, -0.0017716400000000 ] - [ -0.0006252800000000, -0.0007038800000000, 0.0002880700000000 ] - [ -0.0017397200000000, -0.0008673500000000, 0.0004424500000000 ] - [ 0.0429531200000000, -0.0043925200000000, -0.0015549400000000 ] - [ -0.0029025600000000, 0.0010247700000000, -0.0000568800000000 ] - [ 0.0008099000000000, 0.0010030500000000, 0.0013577900000000 ] - [ 0.0007408100000000, -0.0009665800000000, 0.0000662200000000 ] - [ -0.0029830400000000, 0.0004511100000000, 0.0002841700000000 ] - [ -0.0023543200000000, -0.0005448000000000, -0.0000562400000000 ] - [ -0.0031189500000000, 0.0012675600000000, 0.0001252900000000 ] - [ 0.0033806300000000, -0.0032506700000000, -0.0025013900000000 ] - [ -0.0011429600000000, -0.0003188500000000, 0.0000941700000000 ] - [ -0.0003921800000000, -0.0004155500000000, -0.0001554600000000 ] - [ 0.0008555700000000, -0.0018895300000000, 0.0010927600000000 ] - [ 0.0024458000000000, 0.0000216400000000, 0.0000636600000000 ] - [ 0.0036852500000000, 0.0013926700000000, -0.0003096200000000 ] - [ -0.0007398200000000, 0.0003097700000000, -0.0000143300000000 ] - [ -0.0012850600000000, 0.0006249000000000, 0.0000123700000000 ] - [ -0.0122038800000000, 0.0024302900000000, 0.0033560300000000 ] - [ -0.0013974800000000, -0.0009021800000000, -0.0008409400000000 ] - [ -0.0013064500000000, 0.0002096700000000, -0.0001384400000000 ] - [ 0.0040578400000000, -0.0004462500000000, 0.0000520800000000 ] - [ 0.0047604000000000, 0.0000478400000000, -0.0001695000000000 ] - [ -0.0022189900000000, -0.0008237900000000, -0.0007651200000000 ] - [ -0.0010698200000000, -0.0007946900000000, 0.0005859100000000 ] - [ -0.0013460900000000, 0.0017379800000000, 0.0001296300000000 ] - [ 0.0015919600000000, 0.0097204900000000, 0.0048365800000000 ] - [ 0.0026063300000000, -0.0018344700000000, 0.0013717300000000 ] - [ -0.0019869600000000, 0.0003034400000000, -0.0002057900000000 ] - [ 0.0041346900000000, 0.0018203900000000, 0.0013631000000000 ] - [ 0.0023088800000000, -0.0002061900000000, 0.0002140900000000 ] - [ 0.0018529400000000, -0.0001021900000000, 0.0002024100000000 ] - [ 0.0004296700000000, -0.0013306900000000, 0.0001211200000000 ] - [ 0.0009567300000000, 0.0004101600000000, -0.0012880700000000 ] - [ 0.0036561600000000, 0.0018813500000000, -0.0000942700000000 ] - [ -0.0012706200000000, 0.0019606600000000, 0.0008937700000000 ] - [ -0.0018968400000000, 0.0008484200000000, -0.0000471400000000 ] - [ 0.0017367800000000, 0.0003677900000000, -0.0001620500000000 ] - [ 0.0026318900000000, 0.0032610700000000, -0.0025074300000000 ] - [ -0.0034995700000000, -0.0011340300000000, -0.0003555200000000 ] - [ -0.0016838800000000, 0.0000108900000000, 0.0002376900000000 ] - [ -0.0008011900000000, -0.0007299300000000, 0.0003090700000000 ] - [ 0.0020028400000000, 0.0003549300000000, 0.0002718200000000 ] - [ -0.0019011000000000, -0.0010756400000000, -0.0000241900000000 ] - [ 0.0003456400000000, 0.0001074900000000, -0.0002484900000000 ] - [ -0.0020166000000000, 0.0001828300000000, 0.0000830600000000 ] - [ -0.0015999300000000, 0.0000131200000000, 0.0001048300000000 ] - [ -0.0013678500000000, 0.0001478800000000, 0.0001932100000000 ] - [ -0.0015676900000000, -0.0003902500000000, 0.0004522800000000 ] - [ -0.0031031600000000, 0.0003896400000000, 0.0004515900000000 ] - [ 0.0012245900000000, -0.0081498000000000, -0.0061695800000000 ] - [ 0.0019181200000000, 0.0004216600000000, 0.0000922700000000 ] - [ -0.0006674100000000, 0.0113997500000000, 0.0016426400000000 ] - [ -0.0006348400000000, -0.0004233800000000, 0.0004319100000000 ] - [ -0.0131924900000000, -0.0016015000000000, -0.0036214700000000 ] - [ -0.0014656400000000, 0.0008280800000000, -0.0007702100000000 ] - [ -0.0030802900000000, -0.0000133900000000, -0.0001916200000000 ] - [ -0.0009610900000000, -0.0000769300000000, -0.0009671700000000 ] - [ 0.0001120100000000, -0.0124607700000000, 0.0009893900000000 ] - [ -0.0023724100000000, -0.0003767900000000, 0.0000338200000000 ] - [ 0.0041269400000000, -0.0015690200000000, -0.0001051600000000 ] - [ -0.0013207100000000, 0.0001843800000000, -0.0011514000000000 ] - [ -0.0005022700000000, -0.0009176900000000, -0.0000308900000000 ] - [ 0.0035948500000000, -0.0021724500000000, -0.0001290200000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008403500000000, 0.0016705500000000, 0.0008015400000000 ] - [ 0.0015183500000000, -0.0007503800000000, 0.0012020700000000 ] - [ -0.0003216500000000, -0.0008318600000000, -0.0012249400000000 ] - [ 0.0003873300000000, -0.0000397800000000, -0.0005219200000000 ] - [ -0.0015183500000000, -0.0007503800000000, -0.0012020700000000 ] - [ 0.0008403500000000, 0.0016705500000000, -0.0008015400000000 ] - [ -0.0003873300000000, -0.0000397800000000, 0.0005219200000000 ] - [ 0.0003216500000000, -0.0008318600000000, 0.0012249400000000 ] - [ 0.0001246400000000, -0.0000857000000000, -0.0005350500000000 ] - [ 0.0000677500000000, -0.0000899900000000, 0.0007922400000000 ] - [ 0.0002027200000000, 0.0000884900000000, -0.0007539800000000 ] - [ -0.0044841800000000, 0.0069878500000000, 0.0044528300000000 ] - [ 0.0000054700000000, 0.0001008000000000, 0.0005178000000000 ] - [ -0.0000514900000000, 0.0003494500000000, -0.0006124500000000 ] - [ -0.0000717300000000, 0.0004187300000000, -0.0021038500000000 ] - [ 0.0044615900000000, 0.0074944800000000, 0.0029306000000000 ] - [ 0.0044841800000000, 0.0069878500000000, -0.0044528300000000 ] - [ -0.0044615900000000, 0.0074944800000000, -0.0029306000000000 ] - [ 0.0000514900000000, 0.0003494500000000, 0.0006124500000000 ] - [ -0.0001246400000000, -0.0000857000000000, 0.0005350500000000 ] - [ 0.0000717300000000, 0.0004187300000000, 0.0021038500000000 ] - [ -0.0002027200000000, 0.0000884900000000, 0.0007539800000000 ] - [ -0.0000054700000000, 0.0001008000000000, -0.0005178000000000 ] - [ -0.0000677500000000, -0.0000899900000000, -0.0007922400000000 ] - [ 0.0082550300000000, -0.0555683400000000, -0.0029388900000000 ] - [ 0.0017194100000000, 0.0083025000000000, -0.0013414800000000 ] - [ 0.0000000000000000, -0.1544289100000000, 0.0000000000000000 ] - [ 0.0001235400000000, 0.0000916700000000, -0.0001923500000000 ] - [ -0.0001521600000000, -0.0008147000000000, -0.0004826500000000 ] - [ 0.0000000000000000, -0.0004389500000000, 0.0000000000000000 ] - [ 0.0002482600000000, -0.0021044000000000, 0.0007069800000000 ] - [ 0.0000000000000000, 0.0011551400000000, 0.0000000000000000 ] - [ -0.0031707200000000, -0.0000743900000000, 0.0004518600000000 ] - [ -0.0019629000000000, 0.0013012600000000, -0.0004247800000000 ] - [ -0.0082550300000000, -0.0555683400000000, 0.0029388900000000 ] - [ 0.0002598000000000, -0.0004598700000000, -0.0000066700000000 ] - [ -0.0005540300000000, 0.0079900900000000, -0.0012751300000000 ] - [ 0.0028497000000000, -0.0003140200000000, 0.0001306600000000 ] - [ 0.0312815600000000, -0.0087464000000000, -0.0024158100000000 ] - [ -0.0002262400000000, 0.0010568900000000, 0.0004352600000000 ] - [ 0.0003891300000000, 0.0017722800000000, 0.0004801400000000 ] - [ 0.0012676600000000, -0.0004389600000000, 0.0001235100000000 ] - [ 0.0018371900000000, 0.0009766300000000, 0.0005350600000000 ] - [ 0.0001879300000000, -0.0031633600000000, -0.0003352100000000 ] - [ 0.0000072100000000, 0.0001081500000000, -0.0000646000000000 ] - [ 0.0000000000000000, -0.0004694700000000, 0.0000000000000000 ] - [ -0.0353570100000000, -0.0026520200000000, -0.0053764700000000 ] - [ -0.0012676600000000, -0.0004389600000000, -0.0001235100000000 ] - [ 0.0001015200000000, 0.0003346100000000, 0.0000032500000000 ] - [ 0.0031707200000000, -0.0000743900000000, -0.0004518600000000 ] - [ 0.0000000000000000, 0.0010312700000000, 0.0000000000000000 ] - [ -0.0002482600000000, -0.0021044000000000, -0.0007069800000000 ] - [ -0.0003891300000000, 0.0017722800000000, -0.0004801400000000 ] - [ 0.0000000000000000, 0.0001680800000000, 0.0000000000000000 ] - [ -0.0001235400000000, 0.0000916700000000, 0.0001923500000000 ] - [ 0.0000000000000000, -0.0003403500000000, 0.0000000000000000 ] - [ -0.0017194100000000, 0.0083025000000000, 0.0013414800000000 ] - [ -0.0312815600000000, -0.0087464000000000, 0.0024158100000000 ] - [ -0.0001015200000000, 0.0003346100000000, -0.0000032500000000 ] - [ 0.0002262400000000, 0.0010568900000000, -0.0004352600000000 ] - [ -0.0028497000000000, -0.0003140200000000, -0.0001306600000000 ] - [ 0.0005540300000000, 0.0079900900000000, 0.0012751300000000 ] - [ 0.0019629000000000, 0.0013012600000000, 0.0004247800000000 ] - [ -0.0002598000000000, -0.0004598700000000, 0.0000066700000000 ] - [ 0.0001521600000000, -0.0008147000000000, 0.0004826500000000 ] - [ -0.0007986000000000, 0.0034206300000000, -0.0003115000000000 ] - [ 0.0353570100000000, -0.0026520200000000, 0.0053764700000000 ] - [ -0.0000072100000000, 0.0001081500000000, 0.0000646000000000 ] - [ -0.0001879300000000, -0.0031633600000000, 0.0003352100000000 ] - [ 0.0000000000000000, 0.0074653800000000, 0.0000000000000000 ] - [ -0.0018371900000000, 0.0009766300000000, -0.0005350600000000 ] - [ 0.0007986000000000, 0.0034206300000000, 0.0003115000000000 ] - [ -0.0029233100000000, 0.0440040000000000, 0.0026839600000000 ] - [ 0.0070302300000000, 0.0026603400000000, 0.0006990200000000 ] - [ -0.0000929300000000, 0.0006829000000000, 0.0005659700000000 ] - [ -0.0001477400000000, 0.0034942000000000, 0.0013374700000000 ] - [ 0.0000266900000000, 0.0000472800000000, 0.0002589200000000 ] - [ -0.0000398800000000, -0.0004896700000000, -0.0002595800000000 ] - [ 0.0003507900000000, 0.0002575800000000, 0.0001825100000000 ] - [ 0.0005876300000000, 0.0000622500000000, 0.0000069100000000 ] - [ -0.0001893500000000, 0.0005526600000000, 0.0002167400000000 ] - [ -0.0008653000000000, 0.0036141400000000, 0.0003756300000000 ] - [ 0.0021231200000000, -0.0011056600000000, 0.0000456100000000 ] - [ -0.0027215300000000, -0.0008265700000000, 0.0006895700000000 ] - [ 0.0003740000000000, 0.0004192500000000, 0.0002053700000000 ] - [ -0.0004076500000000, 0.0009024400000000, 0.0010082300000000 ] - [ 0.0004076500000000, 0.0009024400000000, -0.0010082300000000 ] - [ -0.0017643800000000, 0.0076884900000000, 0.0038211900000000 ] - [ -0.0046994500000000, -0.0029985500000000, 0.0026775500000000 ] - [ 0.0044824900000000, -0.0036602700000000, 0.0009883700000000 ] - [ 0.0003085000000000, 0.0002116800000000, 0.0003230000000000 ] - [ -0.0013380200000000, 0.0004985000000000, -0.0003428700000000 ] - [ 0.0018475800000000, 0.0494767800000000, 0.0142394100000000 ] - [ 0.0013380200000000, 0.0004985000000000, 0.0003428700000000 ] - [ 0.0001409000000000, -0.0000415000000000, -0.0000550500000000 ] - [ -0.0001409000000000, -0.0000415000000000, 0.0000550500000000 ] - [ -0.0002625400000000, -0.0003529600000000, 0.0003631000000000 ] - [ 0.0000920200000000, -0.0002816300000000, -0.0000862600000000 ] - [ 0.0003583900000000, 0.0006255600000000, 0.0000440500000000 ] - [ 0.0022245100000000, -0.0022245800000000, 0.0011043400000000 ] - [ 0.0029233100000000, 0.0440040000000000, -0.0026839600000000 ] - [ -0.0003507900000000, 0.0002575800000000, -0.0001825100000000 ] - [ 0.0000929300000000, 0.0006829000000000, -0.0005659700000000 ] - [ -0.0068911300000000, 0.0010059200000000, -0.0012392500000000 ] - [ -0.0003181300000000, 0.0001582000000000, 0.0000645600000000 ] - [ -0.0013274300000000, -0.0010880500000000, -0.0024218300000000 ] - [ 0.0001455700000000, 0.0004525800000000, 0.0001087400000000 ] - [ -0.0018475800000000, 0.0494767800000000, -0.0142394100000000 ] - [ -0.0001560300000000, -0.0004160100000000, 0.0000362600000000 ] - [ -0.0003740000000000, 0.0004192500000000, -0.0002053700000000 ] - [ 0.0001477400000000, 0.0034942000000000, -0.0013374700000000 ] - [ 0.0008653000000000, 0.0036141400000000, -0.0003756300000000 ] - [ 0.0005384200000000, 0.0066267700000000, -0.0031839700000000 ] - [ -0.0005384200000000, 0.0066267700000000, 0.0031839700000000 ] - [ -0.0002472600000000, 0.0001377800000000, 0.0000328200000000 ] - [ -0.0001455700000000, 0.0004525800000000, -0.0001087400000000 ] - [ 0.0001306600000000, -0.0000261800000000, -0.0004308100000000 ] - [ -0.0000835500000000, -0.0001924600000000, 0.0001780800000000 ] - [ -0.0023933100000000, -0.0005172000000000, 0.0002109700000000 ] - [ 0.0017643800000000, 0.0076884900000000, -0.0038211900000000 ] - [ -0.0030811500000000, 0.0188909900000000, -0.0092207000000000 ] - [ 0.0001215200000000, -0.0008324300000000, -0.0001635400000000 ] - [ -0.0004948400000000, 0.0002444800000000, -0.0000178700000000 ] - [ 0.0030811500000000, 0.0188909900000000, 0.0092207000000000 ] - [ -0.0003583900000000, 0.0006255600000000, -0.0000440500000000 ] - [ 0.0009814200000000, -0.0003671300000000, -0.0020549400000000 ] - [ 0.0002964700000000, -0.0000155800000000, 0.0004599100000000 ] - [ -0.0005876300000000, 0.0000622500000000, -0.0000069100000000 ] - [ -0.0005726400000000, -0.0002010000000000, -0.0000094600000000 ] - [ 0.0023933100000000, -0.0005172000000000, -0.0002109700000000 ] - [ 0.0009134200000000, -0.0021626000000000, -0.0014980300000000 ] - [ 0.0002819700000000, -0.0002335100000000, -0.0000004500000000 ] - [ 0.0002625400000000, -0.0003529600000000, -0.0003631000000000 ] - [ -0.0009814200000000, -0.0003671300000000, 0.0020549400000000 ] - [ 0.0003980000000000, -0.0001794000000000, 0.0003333300000000 ] - [ -0.0002314500000000, -0.0050404200000000, 0.0001441300000000 ] - [ 0.0003181300000000, 0.0001582000000000, -0.0000645600000000 ] - [ 0.0000068700000000, 0.0003016300000000, -0.0001075000000000 ] - [ 0.0068911300000000, 0.0010059200000000, 0.0012392500000000 ] - [ -0.0003085000000000, 0.0002116800000000, -0.0003230000000000 ] - [ 0.0003098300000000, 0.0001009600000000, -0.0000880400000000 ] - [ -0.0002890500000000, -0.0035410900000000, -0.0018342400000000 ] - [ 0.0002890500000000, -0.0035410900000000, 0.0018342400000000 ] - [ -0.0006495000000000, -0.0005778900000000, -0.0004724000000000 ] - [ -0.0001306600000000, -0.0000261800000000, 0.0004308100000000 ] - [ 0.0004948400000000, 0.0002444800000000, 0.0000178700000000 ] - [ 0.0027215300000000, -0.0008265700000000, -0.0006895700000000 ] - [ -0.0003750300000000, -0.0012485100000000, 0.0007283300000000 ] - [ 0.0002519500000000, -0.0007393900000000, -0.0000872900000000 ] - [ 0.0003750300000000, -0.0012485100000000, -0.0007283300000000 ] - [ 0.0003593900000000, -0.0008784200000000, -0.0000407900000000 ] - [ -0.0003593900000000, -0.0008784200000000, 0.0000407900000000 ] - [ -0.0000266900000000, 0.0000472800000000, -0.0002589200000000 ] - [ 0.0013274300000000, -0.0010880500000000, 0.0024218300000000 ] - [ -0.0002431700000000, -0.0046161600000000, -0.0003562000000000 ] - [ 0.0002472600000000, 0.0001377800000000, -0.0000328200000000 ] - [ 0.0005726400000000, -0.0002010000000000, 0.0000094600000000 ] - [ -0.0003980000000000, -0.0001794000000000, -0.0003333300000000 ] - [ -0.0009134200000000, -0.0021626000000000, 0.0014980300000000 ] - [ -0.0021231200000000, -0.0011056600000000, -0.0000456100000000 ] - [ 0.0001893500000000, 0.0005526600000000, -0.0002167400000000 ] - [ -0.0000920200000000, -0.0002816300000000, 0.0000862600000000 ] - [ -0.0001036800000000, -0.0003081300000000, -0.0001238100000000 ] - [ -0.0002519500000000, -0.0007393900000000, 0.0000872900000000 ] - [ -0.0002964700000000, -0.0000155800000000, -0.0004599100000000 ] - [ -0.0003098300000000, 0.0001009600000000, 0.0000880400000000 ] - [ -0.0002819700000000, -0.0002335100000000, 0.0000004500000000 ] - [ -0.0000068700000000, 0.0003016300000000, 0.0001075000000000 ] - [ 0.0005341200000000, -0.0003524600000000, 0.0001098900000000 ] - [ -0.0005341200000000, -0.0003524600000000, -0.0001098900000000 ] - [ -0.0022245100000000, -0.0022245800000000, -0.0011043400000000 ] - [ 0.0001036800000000, -0.0003081300000000, 0.0001238100000000 ] - [ 0.0046994500000000, -0.0029985500000000, -0.0026775500000000 ] - [ -0.0001215200000000, -0.0008324300000000, 0.0001635400000000 ] - [ -0.0070302300000000, 0.0026603400000000, -0.0006990200000000 ] - [ 0.0006495000000000, -0.0005778900000000, 0.0004724000000000 ] - [ -0.0003459300000000, -0.0010039100000000, 0.0004593100000000 ] - [ 0.0000835500000000, -0.0001924600000000, -0.0001780800000000 ] - [ -0.0044824900000000, -0.0036602700000000, -0.0009883700000000 ] - [ 0.0003459300000000, -0.0010039100000000, -0.0004593100000000 ] - [ 0.0002431700000000, -0.0046161600000000, 0.0003562000000000 ] - [ 0.0000398800000000, -0.0004896700000000, 0.0002595800000000 ] - [ 0.0001560300000000, -0.0004160100000000, -0.0000362600000000 ] - [ 0.0002314500000000, -0.0050404200000000, -0.0001441300000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008451800000000, -0.0007035300000000, -0.0012618000000000 ] - [ -0.0015361600000000, 0.0017021400000000, -0.0007447900000000 ] - [ 0.0003125100000000, -0.0001229300000000, 0.0007759700000000 ] - [ -0.0003892600000000, -0.0009280400000000, 0.0009718900000000 ] - [ 0.0015361600000000, 0.0017021400000000, 0.0007447900000000 ] - [ -0.0008451800000000, -0.0007035300000000, 0.0012618000000000 ] - [ 0.0003892600000000, -0.0009280400000000, -0.0009718900000000 ] - [ -0.0003125100000000, -0.0001229300000000, -0.0007759700000000 ] - [ 0.0000711100000000, -0.0001018200000000, -0.0007418000000000 ] - [ 0.0001293700000000, -0.0000969300000000, 0.0004870100000000 ] - [ -0.0000056700000000, 0.0000980700000000, -0.0005243500000000 ] - [ 0.0043587600000000, -0.0072522700000000, -0.0032184400000000 ] - [ 0.0001925200000000, 0.0000863000000000, 0.0007628700000000 ] - [ -0.0001488200000000, -0.0001539400000000, 0.0018989400000000 ] - [ -0.0001282800000000, -0.0002404100000000, 0.0008224000000000 ] - [ -0.0046280300000000, -0.0076312900000000, -0.0041556800000000 ] - [ -0.0043587600000000, -0.0072522700000000, 0.0032184400000000 ] - [ 0.0046280300000000, -0.0076312900000000, 0.0041556800000000 ] - [ 0.0001488200000000, -0.0001539400000000, -0.0018989400000000 ] - [ -0.0000711100000000, -0.0001018200000000, 0.0007418000000000 ] - [ 0.0001282800000000, -0.0002404100000000, -0.0008224000000000 ] - [ 0.0000056700000000, 0.0000980700000000, 0.0005243500000000 ] - [ -0.0001925200000000, 0.0000863000000000, -0.0007628700000000 ] - [ -0.0001293700000000, -0.0000969300000000, -0.0004870100000000 ] - [ -0.0072701100000000, 0.0557594800000000, 0.0028777000000000 ] - [ -0.0020979400000000, -0.0080545900000000, 0.0016560200000000 ] - [ 0.0000000000000000, 0.1547655500000000, 0.0000000000000000 ] - [ 0.0002689700000000, -0.0003153600000000, -0.0001570100000000 ] - [ -0.0003425800000000, 0.0002654100000000, 0.0000598000000000 ] - [ 0.0000000000000000, -0.0003741900000000, 0.0000000000000000 ] - [ -0.0006786200000000, 0.0018432200000000, -0.0003646300000000 ] - [ 0.0000000000000000, -0.0019800700000000, 0.0000000000000000 ] - [ 0.0035846900000000, 0.0003069500000000, -0.0008018100000000 ] - [ 0.0014894500000000, -0.0007517000000000, 0.0000075600000000 ] - [ 0.0072701100000000, 0.0557594800000000, -0.0028777000000000 ] - [ 0.0001244100000000, 0.0002319100000000, 0.0003556800000000 ] - [ 0.0010575200000000, -0.0074627000000000, 0.0008562900000000 ] - [ -0.0033380600000000, 0.0008638900000000, 0.0002866700000000 ] - [ -0.0307375500000000, 0.0091560100000000, 0.0028207800000000 ] - [ -0.0001650800000000, -0.0012742900000000, -0.0007916700000000 ] - [ 0.0000969500000000, -0.0023474700000000, -0.0000541700000000 ] - [ -0.0002438500000000, 0.0004407600000000, -0.0001289200000000 ] - [ -0.0014336100000000, -0.0007536700000000, -0.0001893100000000 ] - [ 0.0002588500000000, 0.0026497300000000, -0.0000875200000000 ] - [ -0.0004916100000000, -0.0006684000000000, 0.0004860200000000 ] - [ 0.0000000000000000, 0.0012865600000000, 0.0000000000000000 ] - [ 0.0353315300000000, 0.0030501400000000, 0.0051055000000000 ] - [ 0.0002438500000000, 0.0004407600000000, 0.0001289200000000 ] - [ 0.0009269800000000, -0.0003367800000000, 0.0000014800000000 ] - [ -0.0035846900000000, 0.0003069500000000, 0.0008018100000000 ] - [ 0.0000000000000000, -0.0002200000000000, 0.0000000000000000 ] - [ 0.0006786200000000, 0.0018432200000000, 0.0003646300000000 ] - [ -0.0000969500000000, -0.0023474700000000, 0.0000541700000000 ] - [ 0.0000000000000000, -0.0009840700000000, 0.0000000000000000 ] - [ -0.0002689700000000, -0.0003153600000000, 0.0001570100000000 ] - [ 0.0000000000000000, -0.0004750000000000, 0.0000000000000000 ] - [ 0.0020979400000000, -0.0080545900000000, -0.0016560200000000 ] - [ 0.0307375500000000, 0.0091560100000000, -0.0028207800000000 ] - [ -0.0009269800000000, -0.0003367800000000, -0.0000014800000000 ] - [ 0.0001650800000000, -0.0012742900000000, 0.0007916700000000 ] - [ 0.0033380600000000, 0.0008638900000000, -0.0002866700000000 ] - [ -0.0010575200000000, -0.0074627000000000, -0.0008562900000000 ] - [ -0.0014894500000000, -0.0007517000000000, -0.0000075600000000 ] - [ -0.0001244100000000, 0.0002319100000000, -0.0003556800000000 ] - [ 0.0003425800000000, 0.0002654100000000, -0.0000598000000000 ] - [ 0.0018298300000000, -0.0034297100000000, 0.0002784300000000 ] - [ -0.0353315300000000, 0.0030501400000000, -0.0051055000000000 ] - [ 0.0004916100000000, -0.0006684000000000, -0.0004860200000000 ] - [ -0.0002588500000000, 0.0026497300000000, 0.0000875200000000 ] - [ 0.0000000000000000, -0.0066735800000000, 0.0000000000000000 ] - [ 0.0014336100000000, -0.0007536700000000, 0.0001893100000000 ] - [ -0.0018298300000000, -0.0034297100000000, -0.0002784300000000 ] - [ 0.0023515300000000, -0.0448217200000000, -0.0041983600000000 ] - [ -0.0070791300000000, -0.0015386000000000, -0.0008714300000000 ] - [ 0.0008473600000000, -0.0006772300000000, -0.0005592200000000 ] - [ 0.0006158100000000, -0.0037914400000000, -0.0013244000000000 ] - [ 0.0003692100000000, -0.0009306600000000, -0.0005692700000000 ] - [ 0.0000976400000000, -0.0003955100000000, -0.0000011900000000 ] - [ 0.0003600500000000, 0.0001345400000000, 0.0000398600000000 ] - [ -0.0005028300000000, -0.0008338100000000, -0.0001895700000000 ] - [ 0.0002006300000000, 0.0000908900000000, -0.0002201800000000 ] - [ 0.0009751800000000, -0.0028760800000000, -0.0006037800000000 ] - [ -0.0021327900000000, 0.0004637100000000, -0.0000475400000000 ] - [ 0.0026435300000000, 0.0017437900000000, -0.0009517500000000 ] - [ 0.0003147000000000, -0.0000300000000000, -0.0004341500000000 ] - [ -0.0003004300000000, -0.0012942100000000, -0.0007833100000000 ] - [ 0.0003004300000000, -0.0012942100000000, 0.0007833100000000 ] - [ 0.0010177700000000, -0.0077121500000000, -0.0038363600000000 ] - [ 0.0050358100000000, 0.0038844600000000, -0.0023246300000000 ] - [ -0.0041343100000000, 0.0044877400000000, -0.0013339000000000 ] - [ -0.0002558600000000, 0.0006697800000000, -0.0000646400000000 ] - [ -0.0001961700000000, -0.0005012300000000, 0.0003456700000000 ] - [ -0.0020394800000000, -0.0489595400000000, -0.0124500000000000 ] - [ 0.0001961700000000, -0.0005012300000000, -0.0003456700000000 ] - [ 0.0003154800000000, -0.0002634400000000, 0.0000667100000000 ] - [ -0.0003154800000000, -0.0002634400000000, -0.0000667100000000 ] - [ -0.0001277000000000, -0.0005210300000000, -0.0000532100000000 ] - [ -0.0000368200000000, -0.0006112900000000, 0.0003516800000000 ] - [ -0.0008158200000000, -0.0003229300000000, -0.0000351600000000 ] - [ -0.0023249300000000, 0.0031139700000000, -0.0008451400000000 ] - [ -0.0023515300000000, -0.0448217200000000, 0.0041983600000000 ] - [ -0.0003600500000000, 0.0001345400000000, -0.0000398600000000 ] - [ -0.0008473600000000, -0.0006772300000000, 0.0005592200000000 ] - [ 0.0069082600000000, -0.0016589000000000, 0.0012575800000000 ] - [ 0.0003105700000000, 0.0004881300000000, -0.0000625600000000 ] - [ 0.0012716600000000, 0.0002246500000000, 0.0021532000000000 ] - [ -0.0000647300000000, 0.0003188100000000, 0.0000707000000000 ] - [ 0.0020394800000000, -0.0489595400000000, 0.0124500000000000 ] - [ -0.0002339100000000, -0.0004652400000000, -0.0003444000000000 ] - [ -0.0003147000000000, -0.0000300000000000, 0.0004341500000000 ] - [ -0.0006158100000000, -0.0037914400000000, 0.0013244000000000 ] - [ -0.0009751800000000, -0.0028760800000000, 0.0006037800000000 ] - [ 0.0009626200000000, -0.0066572700000000, 0.0031970500000000 ] - [ -0.0009626200000000, -0.0066572700000000, -0.0031970500000000 ] - [ 0.0003016300000000, 0.0007468600000000, -0.0002936900000000 ] - [ 0.0000647300000000, 0.0003188100000000, -0.0000707000000000 ] - [ -0.0005239200000000, 0.0008951700000000, 0.0001213500000000 ] - [ 0.0001044900000000, -0.0009329700000000, -0.0000346200000000 ] - [ 0.0023738100000000, 0.0016400400000000, -0.0000633600000000 ] - [ -0.0010177700000000, -0.0077121500000000, 0.0038363600000000 ] - [ 0.0016847300000000, -0.0193035100000000, 0.0090440700000000 ] - [ -0.0001150300000000, -0.0002943700000000, 0.0000210200000000 ] - [ 0.0001057300000000, 0.0006295300000000, 0.0003263700000000 ] - [ -0.0016847300000000, -0.0193035100000000, -0.0090440700000000 ] - [ 0.0008158200000000, -0.0003229300000000, 0.0000351600000000 ] - [ -0.0010436300000000, -0.0005286700000000, 0.0023362900000000 ] - [ 0.0000959000000000, -0.0008397400000000, -0.0001473400000000 ] - [ 0.0005028300000000, -0.0008338100000000, 0.0001895700000000 ] - [ 0.0001161000000000, 0.0005055100000000, 0.0000001800000000 ] - [ -0.0023738100000000, 0.0016400400000000, 0.0000633600000000 ] - [ -0.0001570800000000, 0.0021670500000000, 0.0015048500000000 ] - [ 0.0001749900000000, -0.0000714100000000, -0.0000108000000000 ] - [ 0.0001277000000000, -0.0005210300000000, 0.0000532100000000 ] - [ 0.0010436300000000, -0.0005286700000000, -0.0023362900000000 ] - [ 0.0003143200000000, 0.0005683400000000, -0.0001074300000000 ] - [ 0.0003088700000000, 0.0043048100000000, -0.0003356900000000 ] - [ -0.0003105700000000, 0.0004881300000000, 0.0000625600000000 ] - [ 0.0000752900000000, 0.0004716800000000, -0.0000726400000000 ] - [ -0.0069082600000000, -0.0016589000000000, -0.0012575800000000 ] - [ 0.0002558600000000, 0.0006697800000000, 0.0000646400000000 ] - [ 0.0004002900000000, 0.0002925500000000, -0.0001326900000000 ] - [ -0.0004268900000000, 0.0031498300000000, 0.0020584600000000 ] - [ 0.0004268900000000, 0.0031498300000000, -0.0020584600000000 ] - [ -0.0001029500000000, 0.0005852200000000, 0.0004797800000000 ] - [ 0.0005239200000000, 0.0008951700000000, -0.0001213500000000 ] - [ -0.0001057300000000, 0.0006295300000000, -0.0003263700000000 ] - [ -0.0026435300000000, 0.0017437900000000, 0.0009517500000000 ] - [ -0.0011678700000000, 0.0012451600000000, -0.0007198300000000 ] - [ -0.0003386300000000, -0.0000312500000000, -0.0000943600000000 ] - [ 0.0011678700000000, 0.0012451600000000, 0.0007198300000000 ] - [ 0.0000929300000000, 0.0005687100000000, 0.0000595600000000 ] - [ -0.0000929300000000, 0.0005687100000000, -0.0000595600000000 ] - [ -0.0003692100000000, -0.0009306600000000, 0.0005692700000000 ] - [ -0.0012716600000000, 0.0002246500000000, -0.0021532000000000 ] - [ -0.0002096700000000, 0.0049163300000000, 0.0003550400000000 ] - [ -0.0003016300000000, 0.0007468600000000, 0.0002936900000000 ] - [ -0.0001161000000000, 0.0005055100000000, -0.0000001800000000 ] - [ -0.0003143200000000, 0.0005683400000000, 0.0001074300000000 ] - [ 0.0001570800000000, 0.0021670500000000, -0.0015048500000000 ] - [ 0.0021327900000000, 0.0004637100000000, 0.0000475400000000 ] - [ -0.0002006300000000, 0.0000908900000000, 0.0002201800000000 ] - [ 0.0000368200000000, -0.0006112900000000, -0.0003516800000000 ] - [ 0.0001853600000000, 0.0010870900000000, 0.0002975900000000 ] - [ 0.0003386300000000, -0.0000312500000000, 0.0000943600000000 ] - [ -0.0000959000000000, -0.0008397400000000, 0.0001473400000000 ] - [ -0.0004002900000000, 0.0002925500000000, 0.0001326900000000 ] - [ -0.0001749900000000, -0.0000714100000000, 0.0000108000000000 ] - [ -0.0000752900000000, 0.0004716800000000, 0.0000726400000000 ] - [ 0.0010011600000000, 0.0003527500000000, -0.0001092600000000 ] - [ -0.0010011600000000, 0.0003527500000000, 0.0001092600000000 ] - [ 0.0023249300000000, 0.0031139700000000, 0.0008451400000000 ] - [ -0.0001853600000000, 0.0010870900000000, -0.0002975900000000 ] - [ -0.0050358100000000, 0.0038844600000000, 0.0023246300000000 ] - [ 0.0001150300000000, -0.0002943700000000, -0.0000210200000000 ] - [ 0.0070791300000000, -0.0015386000000000, 0.0008714300000000 ] - [ 0.0001029500000000, 0.0005852200000000, -0.0004797800000000 ] - [ -0.0003612800000000, 0.0006162900000000, -0.0006861400000000 ] - [ -0.0001044900000000, -0.0009329700000000, 0.0000346200000000 ] - [ 0.0041343100000000, 0.0044877400000000, 0.0013339000000000 ] - [ 0.0003612800000000, 0.0006162900000000, 0.0006861400000000 ] - [ 0.0002096700000000, 0.0049163300000000, -0.0003550400000000 ] - [ -0.0000976400000000, -0.0003955100000000, 0.0000011900000000 ] - [ 0.0002339100000000, -0.0004652400000000, 0.0003444000000000 ] - [ -0.0003088700000000, 0.0043048100000000, 0.0003356900000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002428500000000, 0.0001370600000000, -0.0021670100000000 ] - [ 0.0026282200000000, 0.0023080200000000, -0.0026779100000000 ] - [ 0.0019083200000000, -0.0015587000000000, 0.0028427600000000 ] - [ -0.0004808800000000, -0.0007102100000000, 0.0020881600000000 ] - [ 0.0026407900000000, -0.0013523800000000, -0.0031151600000000 ] - [ -0.0002413800000000, 0.0008284000000000, -0.0017215800000000 ] - [ -0.0004809300000000, -0.0002546700000000, 0.0016270100000000 ] - [ 0.0019034500000000, 0.0005874500000000, 0.0033031700000000 ] - [ 0.0000366200000000, -0.0000389000000000, -0.0009314300000000 ] - [ 0.0002949200000000, -0.0000108600000000, 0.0003019600000000 ] - [ 0.0001251000000000, 0.0000394700000000, -0.0003078100000000 ] - [ -0.0055675700000000, 0.0070618400000000, -0.0011300200000000 ] - [ 0.0001728100000000, 0.0000453900000000, 0.0009338900000000 ] - [ 0.0007720600000000, -0.0014714000000000, 0.0028505900000000 ] - [ -0.0012434500000000, -0.0014570600000000, 0.0020276400000000 ] - [ 0.0052906600000000, 0.0080272300000000, -0.0022954800000000 ] - [ -0.0053954000000000, -0.0072799300000000, -0.0024195700000000 ] - [ 0.0054614100000000, -0.0081708700000000, -0.0010117600000000 ] - [ 0.0009587600000000, 0.0016488900000000, 0.0015804600000000 ] - [ -0.0001589200000000, -0.0001487300000000, 0.0003466900000000 ] - [ -0.0010558500000000, 0.0016551600000000, 0.0033030200000000 ] - [ -0.0000706200000000, 0.0001481300000000, 0.0009686300000000 ] - [ -0.0000237700000000, 0.0001415400000000, -0.0003448900000000 ] - [ 0.0000987000000000, -0.0001768000000000, -0.0009795900000000 ] - [ 0.0087629900000000, -0.0037896400000000, 0.1016217400000000 ] - [ -0.0020702300000000, -0.0061760900000000, -0.0032614400000000 ] - [ -0.0032196400000000, -0.0004337600000000, -0.2829012900000000 ] - [ -0.0006173500000000, 0.0002201900000000, 0.0006155600000000 ] - [ -0.0027243700000000, 0.0004086700000000, 0.0007513600000000 ] - [ 0.0002964200000000, -0.0004067200000000, 0.0018479000000000 ] - [ 0.0051946800000000, 0.0035417400000000, 0.0096262900000000 ] - [ -0.0011848000000000, -0.0004091600000000, 0.0285093200000000 ] - [ 0.0051807600000000, -0.0000622600000000, -0.0018790300000000 ] - [ 0.0019377700000000, -0.0008787300000000, -0.0005456200000000 ] - [ 0.0075985200000000, 0.0037080500000000, 0.1000494800000000 ] - [ 0.0026370200000000, 0.0001156200000000, 0.0014624600000000 ] - [ 0.0018386600000000, -0.0067467900000000, -0.0028633000000000 ] - [ -0.0053086000000000, 0.0001066000000000, -0.0004491900000000 ] - [ -0.0437589100000000, -0.0041021800000000, -0.0087896900000000 ] - [ -0.0008665400000000, 0.0029566900000000, 0.0025512600000000 ] - [ 0.0010970300000000, 0.0031408500000000, 0.0032501700000000 ] - [ 0.0007863400000000, -0.0000129200000000, 0.0002614600000000 ] - [ -0.0013020500000000, -0.0009457000000000, -0.0008391400000000 ] - [ -0.0069995200000000, 0.0044403000000000, 0.0100444000000000 ] - [ 0.0010465500000000, 0.0000641200000000, 0.0008362200000000 ] - [ 0.0002744500000000, 0.0004066600000000, -0.0023710300000000 ] - [ 0.0398727700000000, -0.0050973500000000, -0.0133926700000000 ] - [ -0.0002432500000000, 0.0000124000000000, 0.0002568300000000 ] - [ 0.0007649900000000, 0.0000277200000000, 0.0000990300000000 ] - [ 0.0047889600000000, 0.0002967700000000, -0.0015293500000000 ] - [ 0.0002073600000000, 0.0004060000000000, -0.0013380000000000 ] - [ 0.0055457600000000, -0.0037628400000000, 0.0092859700000000 ] - [ 0.0006112600000000, -0.0036677200000000, 0.0028391100000000 ] - [ -0.0002625100000000, -0.0004068700000000, 0.0051188300000000 ] - [ -0.0010185500000000, -0.0004546500000000, 0.0009612200000000 ] - [ 0.0001531100000000, -0.0004079100000000, 0.0011325000000000 ] - [ -0.0016766900000000, 0.0064003100000000, -0.0036084400000000 ] - [ -0.0444198100000000, 0.0046657000000000, -0.0093355200000000 ] - [ -0.0002656600000000, -0.0000295700000000, 0.0001028200000000 ] - [ -0.0004734400000000, -0.0032075900000000, 0.0028956900000000 ] - [ -0.0048239100000000, 0.0004441100000000, -0.0008696600000000 ] - [ 0.0013510800000000, 0.0073261600000000, -0.0024358300000000 ] - [ 0.0024320000000000, 0.0014284100000000, -0.0001238200000000 ] - [ 0.0022270400000000, -0.0003434700000000, 0.0011173200000000 ] - [ -0.0022508800000000, -0.0009578600000000, 0.0011626100000000 ] - [ -0.0000665300000000, -0.0002987200000000, 0.0020094800000000 ] - [ 0.0402214000000000, 0.0053761100000000, -0.0129064600000000 ] - [ 0.0015234300000000, -0.0006113900000000, 0.0004253500000000 ] - [ -0.0075263600000000, -0.0050020500000000, 0.0104630800000000 ] - [ -0.0003311000000000, 0.0004085100000000, -0.0092906100000000 ] - [ -0.0016963500000000, 0.0011799700000000, -0.0011866900000000 ] - [ -0.0010963600000000, 0.0002999500000000, 0.0019986200000000 ] - [ -0.0099117100000000, 0.0131823200000000, 0.0189573500000000 ] - [ -0.0097734900000000, -0.0010904300000000, 0.0001795400000000 ] - [ 0.0009770400000000, -0.0004750000000000, -0.0004726600000000 ] - [ -0.0014607400000000, -0.0026169100000000, -0.0184117500000000 ] - [ 0.0005425300000000, -0.0018417800000000, -0.0029757700000000 ] - [ -0.0002659300000000, -0.0006638800000000, -0.0001816800000000 ] - [ 0.0001416800000000, 0.0010086000000000, -0.0010969100000000 ] - [ 0.0007663800000000, -0.0000781300000000, 0.0007009400000000 ] - [ 0.0042581100000000, 0.0001645000000000, -0.0013845600000000 ] - [ 0.0037608200000000, -0.0022357300000000, -0.0190231400000000 ] - [ -0.0026684200000000, 0.0003514500000000, 0.0004416300000000 ] - [ 0.0039382200000000, 0.0051258600000000, -0.0000934000000000 ] - [ 0.0007966200000000, -0.0032632600000000, -0.0068847300000000 ] - [ -0.0005891800000000, 0.0013432500000000, 0.0019810700000000 ] - [ 0.0001219500000000, -0.0017314000000000, 0.0017532800000000 ] - [ 0.0106582900000000, -0.0039491600000000, -0.0068457600000000 ] - [ 0.0017884400000000, 0.0033733200000000, 0.0056228800000000 ] - [ -0.0014074000000000, 0.0054590400000000, 0.0056540200000000 ] - [ -0.0004446200000000, 0.0008762600000000, 0.0000692800000000 ] - [ -0.0016991200000000, 0.0002972900000000, -0.0002942900000000 ] - [ 0.0049027700000000, 0.0316373500000000, 0.0385468300000000 ] - [ -0.0001632900000000, -0.0002948300000000, -0.0002904900000000 ] - [ -0.0002436700000000, -0.0003336300000000, -0.0006330900000000 ] - [ -0.0007031400000000, 0.0000291500000000, -0.0006409800000000 ] - [ -0.0003408900000000, -0.0008793900000000, -0.0006356900000000 ] - [ 0.0001578300000000, -0.0009839600000000, 0.0002792000000000 ] - [ -0.0011162800000000, -0.0002556100000000, 0.0006188600000000 ] - [ -0.0038453200000000, 0.0058597100000000, 0.0005804100000000 ] - [ -0.0092149200000000, -0.0143755500000000, 0.0206102100000000 ] - [ -0.0005650800000000, -0.0006159700000000, -0.0013195500000000 ] - [ 0.0002253400000000, 0.0004745800000000, -0.0004717400000000 ] - [ 0.0111132700000000, -0.0013157900000000, 0.0027943800000000 ] - [ -0.0016938700000000, 0.0000333300000000, -0.0004912300000000 ] - [ -0.0023276900000000, -0.0036398200000000, -0.0028182400000000 ] - [ 0.0003101500000000, 0.0002943800000000, -0.0006376900000000 ] - [ 0.0052681000000000, -0.0300890600000000, 0.0362533700000000 ] - [ -0.0002556100000000, -0.0005247600000000, -0.0011141900000000 ] - [ 0.0000668500000000, 0.0036536700000000, -0.0066587900000000 ] - [ -0.0018891100000000, 0.0023262600000000, -0.0183447800000000 ] - [ 0.0036973000000000, 0.0030064100000000, -0.0188891000000000 ] - [ -0.0139406300000000, 0.0021658400000000, -0.0056455700000000 ] - [ -0.0155064700000000, -0.0021716500000000, -0.0056097200000000 ] - [ 0.0003659200000000, 0.0013031200000000, -0.0003434400000000 ] - [ 0.0002251100000000, 0.0004775700000000, -0.0008206100000000 ] - [ -0.0005780100000000, 0.0012859600000000, 0.0007807400000000 ] - [ -0.0036302800000000, -0.0008454900000000, -0.0009756100000000 ] - [ 0.0020454000000000, 0.0014316200000000, 0.0003574300000000 ] - [ 0.0114628400000000, 0.0039304600000000, -0.0067990200000000 ] - [ 0.0002987200000000, -0.0132137000000000, 0.0246389300000000 ] - [ 0.0011699800000000, -0.0008639800000000, -0.0002858300000000 ] - [ -0.0000578700000000, 0.0007554800000000, 0.0011919400000000 ] - [ 0.0016770000000000, 0.0128991200000000, 0.0248566900000000 ] - [ -0.0006628600000000, 0.0005623900000000, 0.0006067300000000 ] - [ 0.0019234400000000, -0.0032347900000000, -0.0015465700000000 ] - [ 0.0001086000000000, -0.0028872200000000, -0.0028115500000000 ] - [ 0.0006808900000000, -0.0006937100000000, 0.0008804500000000 ] - [ 0.0000523100000000, 0.0004231500000000, 0.0003745300000000 ] - [ 0.0020439400000000, -0.0003067300000000, 0.0002142700000000 ] - [ 0.0005559400000000, -0.0006229800000000, -0.0005902400000000 ] - [ 0.0003229100000000, -0.0000083700000000, -0.0003791700000000 ] - [ 0.0000508700000000, 0.0000012800000000, -0.0009434200000000 ] - [ 0.0019888300000000, 0.0023677500000000, -0.0018079200000000 ] - [ 0.0004169700000000, 0.0022641900000000, -0.0022231900000000 ] - [ 0.0003102600000000, 0.0031838300000000, 0.0019446400000000 ] - [ -0.0016796700000000, 0.0006092600000000, -0.0004940900000000 ] - [ -0.0002511500000000, 0.0005654400000000, -0.0005149900000000 ] - [ 0.0111064900000000, 0.0006613400000000, 0.0027812900000000 ] - [ -0.0004989500000000, 0.0000063100000000, -0.0001939100000000 ] - [ 0.0003182600000000, -0.0003802100000000, -0.0008765900000000 ] - [ -0.0002780100000000, 0.0030191500000000, 0.0033692500000000 ] - [ 0.0004337300000000, -0.0034158100000000, 0.0031488600000000 ] - [ -0.0008357100000000, -0.0002760900000000, -0.0002376100000000 ] - [ -0.0001873800000000, -0.0004178700000000, 0.0010914100000000 ] - [ 0.0003318000000000, 0.0001142500000000, 0.0008827500000000 ] - [ 0.0040051300000000, -0.0042057400000000, 0.0001959000000000 ] - [ -0.0002288700000000, 0.0003756700000000, -0.0002386200000000 ] - [ -0.0005322300000000, -0.0001127600000000, 0.0003249100000000 ] - [ 0.0013115700000000, -0.0003693900000000, -0.0002327600000000 ] - [ 0.0003438500000000, -0.0010579200000000, -0.0018530500000000 ] - [ -0.0001123900000000, 0.0007572800000000, -0.0018588500000000 ] - [ 0.0001563800000000, 0.0009827100000000, -0.0026655200000000 ] - [ -0.0022589300000000, 0.0027395900000000, -0.0025540700000000 ] - [ 0.0001682100000000, -0.0036695600000000, 0.0019265100000000 ] - [ 0.0003109800000000, -0.0004204700000000, -0.0000805100000000 ] - [ 0.0005076700000000, -0.0001179200000000, 0.0003860600000000 ] - [ -0.0002921300000000, -0.0018753400000000, -0.0024495100000000 ] - [ -0.0001998700000000, 0.0006009100000000, -0.0005708900000000 ] - [ -0.0026867700000000, -0.0009978700000000, 0.0004430600000000 ] - [ 0.0042818500000000, 0.0004815300000000, -0.0013828500000000 ] - [ 0.0001037600000000, 0.0000978900000000, 0.0000201500000000 ] - [ 0.0002013600000000, -0.0007457300000000, -0.0019227700000000 ] - [ -0.0004483500000000, -0.0006603500000000, 0.0005042900000000 ] - [ -0.0002768400000000, 0.0020063500000000, -0.0031220200000000 ] - [ -0.0003901700000000, 0.0007732100000000, -0.0006550000000000 ] - [ -0.0001359400000000, -0.0002960600000000, -0.0003706100000000 ] - [ -0.0003358600000000, 0.0002069100000000, -0.0003318800000000 ] - [ 0.0008474800000000, 0.0001763300000000, -0.0000539700000000 ] - [ -0.0006894000000000, -0.0001743900000000, -0.0000508100000000 ] - [ -0.0037866000000000, -0.0050019300000000, 0.0002843400000000 ] - [ 0.0001162900000000, 0.0015115900000000, -0.0021086300000000 ] - [ 0.0014180700000000, -0.0024714600000000, 0.0053150900000000 ] - [ 0.0011719100000000, -0.0002591200000000, -0.0001401500000000 ] - [ -0.0097789700000000, 0.0022242700000000, 0.0003322600000000 ] - [ -0.0000822100000000, 0.0002744200000000, -0.0002357400000000 ] - [ -0.0004259000000000, -0.0012123100000000, 0.0009316200000000 ] - [ -0.0036147400000000, -0.0002785000000000, -0.0011228100000000 ] - [ -0.0017912200000000, -0.0046396300000000, 0.0059730000000000 ] - [ 0.0002844100000000, 0.0008221800000000, 0.0011569500000000 ] - [ 0.0006196100000000, 0.0039625100000000, 0.0019124300000000 ] - [ -0.0003216200000000, -0.0002240800000000, 0.0000745100000000 ] - [ 0.0001366900000000, -0.0003513500000000, -0.0008064700000000 ] - [ 0.0002312000000000, -0.0039508600000000, 0.0021214800000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0041027300000000, 0.0045877100000000, -0.0045941600000000 ] - [ -0.0029507200000000, 0.0004997100000000, 0.0003804600000000 ] - [ -0.0031558300000000, -0.0003032000000000, 0.0178400000000000 ] - [ -0.0031660800000000, -0.0003260000000000, 0.0000329100000000 ] - [ 0.0032342800000000, 0.0009823900000000, 0.0003081000000000 ] - [ 0.0018520600000000, 0.0001035200000000, 0.0002981400000000 ] - [ 0.0019997600000000, -0.0000940800000000, -0.0004597400000000 ] - [ 0.0046941700000000, -0.0010500100000000, 0.0000838800000000 ] - [ -0.0003490300000000, 0.0004678500000000, -0.0005714900000000 ] - [ -0.0012963700000000, -0.0027847700000000, 0.0038295900000000 ] - [ -0.0010105400000000, 0.0021740200000000, -0.0007703000000000 ] - [ 0.0015922100000000, 0.0003666600000000, -0.0017723500000000 ] - [ -0.0017957500000000, -0.0018290600000000, -0.0006936300000000 ] - [ 0.0012335800000000, 0.0005105500000000, 0.0025037100000000 ] - [ 0.0003874900000000, -0.0007234500000000, -0.0006071100000000 ] - [ 0.0001476200000000, -0.0002555100000000, -0.0006255200000000 ] - [ 0.0007041000000000, 0.0000613600000000, -0.0006347000000000 ] - [ 0.0009005500000000, -0.0003739700000000, 0.0005480900000000 ] - [ 0.0019928700000000, 0.0008310400000000, -0.0006152500000000 ] - [ 0.0004213900000000, 0.0010942200000000, 0.0009822300000000 ] - [ 0.0008925400000000, -0.0002129200000000, 0.0007603800000000 ] - [ 0.0002720900000000, 0.0011131500000000, 0.0001756800000000 ] - [ 0.0048694900000000, -0.0060521100000000, -0.0008072300000000 ] - [ -0.0000862000000000, -0.0006529200000000, -0.0005763000000000 ] - [ 0.0026947000000000, 0.0000588300000000, 0.0025295400000000 ] - [ -0.0028992700000000, -0.0013611400000000, -0.0012286100000000 ] - [ 0.0028157200000000, 0.0005031000000000, -0.0024856100000000 ] - [ -0.0184672700000000, -0.0009668500000000, -0.0036801800000000 ] - [ -0.2330213300000000, -0.0143984500000000, -0.0156516200000000 ] - [ 0.0122996400000000, 0.0308298300000000, -0.0443764300000000 ] - [ -0.0048929200000000, -0.0069614300000000, 0.0074530300000000 ] - [ 0.0109309600000000, -0.0035048600000000, 0.0050696200000000 ] - [ -0.0065954300000000, -0.0036601800000000, 0.0011972800000000 ] - [ -0.0041820300000000, 0.0005963700000000, -0.0001227600000000 ] - [ 0.0107663500000000, -0.0030271900000000, -0.0045828200000000 ] - [ -0.0108703800000000, 0.0065615200000000, -0.0049859300000000 ] - [ -0.0018733700000000, 0.0019560900000000, 0.0004073500000000 ] - [ -0.0147683400000000, 0.0111862700000000, 0.0105384500000000 ] - [ -0.0068419600000000, -0.0092219200000000, -0.0107134400000000 ] - [ -0.0015029500000000, 0.0218609500000000, 0.0017821500000000 ] - [ -0.0028089800000000, -0.0006409000000000, 0.0020481700000000 ] - [ 0.0192040700000000, 0.0283609600000000, 0.0352216300000000 ] - [ -0.0040510600000000, 0.0036729000000000, -0.0000262500000000 ] - [ 0.0906526500000000, 0.0087840700000000, -0.0126701500000000 ] - [ -0.0045699400000000, 0.0026296900000000, 0.0010739000000000 ] - [ -0.0009248200000000, 0.0004311300000000, 0.0072926100000000 ] - [ -0.0028345000000000, -0.0002638700000000, -0.0007470400000000 ] - [ -0.0027350500000000, 0.0002174000000000, -0.0054242400000000 ] - [ -0.0005224800000000, -0.0000198300000000, -0.0005226700000000 ] - [ 0.0078530900000000, -0.0029117500000000, 0.0036675600000000 ] - [ -0.0012390500000000, 0.0002609700000000, 0.0008495800000000 ] - [ 0.0081424900000000, -0.0021060500000000, -0.0007730200000000 ] - [ 0.0045644800000000, -0.0000287900000000, 0.0000635900000000 ] - [ 0.0045052600000000, 0.0013205200000000, 0.0021875600000000 ] - [ 0.0024127500000000, -0.0034593800000000, -0.0012898200000000 ] - [ -0.0024035600000000, -0.0012086000000000, -0.0015872300000000 ] - [ 0.0033601800000000, 0.0004848000000000, -0.0003557400000000 ] - [ 0.0045024700000000, -0.0004189400000000, 0.0001868200000000 ] - [ -0.0028335700000000, -0.0011149700000000, 0.0012455100000000 ] - [ 0.0044903400000000, -0.0003846100000000, 0.0009388700000000 ] - [ 0.0048964200000000, 0.0025511700000000, -0.0003955500000000 ] - [ 0.0044143100000000, 0.0002081900000000, -0.0005863400000000 ] - [ 0.0031646200000000, -0.0030862000000000, 0.0017569200000000 ] - [ 0.0102437100000000, 0.0068342900000000, -0.0000835100000000 ] - [ 0.0079336300000000, -0.0028792300000000, -0.0033021500000000 ] - [ 0.0044173700000000, 0.0020201600000000, -0.0022237700000000 ] - [ 0.0067753500000000, 0.0011591300000000, -0.0003940200000000 ] - [ 0.0031912700000000, 0.0028237800000000, -0.0006523000000000 ] - [ 0.0065069500000000, 0.0006481300000000, 0.0007700200000000 ] - [ 0.0019353800000000, 0.0006563600000000, -0.0012858500000000 ] - [ 0.0018429300000000, 0.0013433800000000, 0.0001464000000000 ] - [ 0.0014676300000000, 0.0001147400000000, 0.0011072300000000 ] - [ -0.0033024900000000, -0.0002828700000000, 0.0021957500000000 ] - [ 0.0050424400000000, 0.0008115500000000, -0.0010282400000000 ] - [ 0.0203901700000000, 0.0047236800000000, 0.0059773400000000 ] - [ -0.0009124900000000, 0.0012125500000000, -0.0026237000000000 ] - [ -0.0045627100000000, -0.0133593600000000, -0.0046788200000000 ] - [ 0.0015169100000000, -0.0031127500000000, 0.0008870900000000 ] - [ 0.0222802600000000, 0.0002995900000000, -0.0010818200000000 ] - [ -0.0011351500000000, -0.0015549100000000, -0.0006461400000000 ] - [ 0.0832557700000000, -0.0204191300000000, 0.0134492800000000 ] - [ -0.0107946500000000, 0.0039919700000000, -0.0002620200000000 ] - [ 0.0039674800000000, -0.0004092100000000, 0.0001871300000000 ] - [ 0.0004979200000000, 0.0028875300000000, 0.0005932100000000 ] - [ -0.0050277700000000, 0.0007724900000000, -0.0005244100000000 ] - [ -0.0023988400000000, -0.0010473100000000, -0.0015344100000000 ] - [ 0.0036662900000000, 0.0012039600000000, -0.0028039400000000 ] - [ -0.0100699300000000, 0.0151439300000000, 0.0156333200000000 ] - [ 0.0007194900000000, 0.0019324900000000, 0.0015088500000000 ] - [ 0.0004888400000000, 0.0001155400000000, 0.0012603100000000 ] - [ 0.0020672000000000, 0.0009372400000000, -0.0011783900000000 ] - [ -0.0099581600000000, -0.0013710300000000, -0.0020942900000000 ] - [ -0.0016200100000000, 0.0002601500000000, -0.0001211900000000 ] - [ 0.0049043600000000, 0.0006679800000000, 0.0010200300000000 ] - [ -0.0040065000000000, -0.0076750000000000, 0.0007554000000000 ] - [ 0.0038583300000000, -0.0043533000000000, 0.0063508300000000 ] - [ 0.0016765300000000, -0.0033921400000000, -0.0001271800000000 ] - [ 0.0216693500000000, 0.0000647200000000, 0.0024115200000000 ] - [ 0.0019322400000000, 0.0017627600000000, -0.0003399000000000 ] - [ -0.0001848900000000, -0.0003763200000000, -0.0015890500000000 ] - [ 0.0000566400000000, -0.0002677000000000, -0.0000921200000000 ] - [ -0.0077441800000000, -0.0017322700000000, 0.0026446300000000 ] - [ -0.0019233000000000, -0.0008701700000000, 0.0014675000000000 ] - [ 0.0132032100000000, 0.0006481000000000, 0.0008001200000000 ] - [ 0.0052806500000000, 0.0000164700000000, -0.0003321600000000 ] - [ 0.0004919600000000, 0.0008100100000000, -0.0015127600000000 ] - [ -0.0019213800000000, 0.0015432700000000, 0.0081207500000000 ] - [ -0.0010929100000000, 0.0007223600000000, 0.0027565100000000 ] - [ 0.0188760600000000, -0.0077598600000000, -0.0048237000000000 ] - [ -0.0101606700000000, 0.0098324700000000, -0.0106601700000000 ] - [ -0.0038124500000000, 0.0018269800000000, 0.0000156000000000 ] - [ -0.0026367200000000, -0.0001285200000000, -0.0022392500000000 ] - [ -0.0051645800000000, 0.0001773500000000, 0.0004239200000000 ] - [ -0.0009413500000000, 0.0000760000000000, -0.0012306100000000 ] - [ 0.0019690000000000, -0.0036150900000000, 0.0001353600000000 ] - [ -0.0000401000000000, -0.0209777900000000, 0.0017090000000000 ] - [ 0.0013410100000000, 0.0016908900000000, 0.0000212200000000 ] - [ 0.0093156000000000, 0.0011686900000000, -0.0008651700000000 ] - [ 0.0050187500000000, -0.0001729100000000, 0.0003727300000000 ] - [ -0.0016477000000000, 0.0001567200000000, -0.0003995600000000 ] - [ -0.0005127100000000, -0.0005250100000000, 0.0016329000000000 ] - [ 0.0121193700000000, -0.0029362200000000, 0.0000105100000000 ] - [ 0.0012654100000000, -0.0024738600000000, -0.0010673100000000 ] - [ -0.0021230200000000, -0.0001416400000000, 0.0004588800000000 ] - [ -0.0029024100000000, 0.0009692200000000, -0.0081584400000000 ] - [ -0.0042979000000000, -0.0181187800000000, 0.0058624700000000 ] - [ 0.0006768900000000, 0.0012775100000000, -0.0004409700000000 ] - [ 0.0030510100000000, -0.0042954900000000, -0.0073776800000000 ] - [ 0.0008296000000000, -0.0001558100000000, -0.0003578600000000 ] - [ -0.0030644800000000, 0.0005353800000000, -0.0000428400000000 ] - [ -0.0015934600000000, -0.0000348900000000, 0.0002160200000000 ] - [ 0.0004558900000000, 0.0005495400000000, 0.0004107800000000 ] - [ -0.0009436500000000, -0.0035512200000000, 0.0005926800000000 ] - [ -0.0009915500000000, -0.0005301300000000, -0.0002993400000000 ] - [ -0.0021036000000000, 0.0002292200000000, -0.0001169200000000 ] - [ -0.0002444800000000, -0.0004997200000000, 0.0000000200000000 ] - [ -0.0049074200000000, 0.0001220400000000, -0.0000319600000000 ] - [ 0.0000996300000000, -0.0003506900000000, -0.0000506200000000 ] - [ -0.0048632600000000, -0.0004456900000000, -0.0000755200000000 ] - [ -0.0023792100000000, 0.0031684500000000, -0.0021655000000000 ] - [ 0.0030133000000000, -0.0010471900000000, -0.0005572100000000 ] - [ -0.0006279300000000, 0.0001218700000000, 0.0005277700000000 ] - [ -0.0013229200000000, -0.0003592400000000, 0.0001305800000000 ] - [ -0.0002620400000000, -0.0000056800000000, -0.0001357700000000 ] - [ -0.0005859100000000, 0.0024416900000000, -0.0008035600000000 ] - [ -0.0005636600000000, -0.0005486900000000, -0.0004718300000000 ] - [ -0.0008579500000000, 0.0005097500000000, 0.0000411700000000 ] - [ -0.0021303400000000, -0.0029146900000000, 0.0018404800000000 ] - [ 0.0010062300000000, -0.0004408800000000, -0.0002074700000000 ] - [ -0.0010723100000000, -0.0000990500000000, -0.0001916600000000 ] - [ -0.0031411700000000, -0.0035654100000000, -0.0002886000000000 ] - [ -0.0021528300000000, -0.0003125200000000, -0.0009616800000000 ] - [ -0.0017076700000000, -0.0005234500000000, -0.0001116800000000 ] - [ -0.0012845900000000, -0.0000508200000000, 0.0002660200000000 ] - [ -0.0014595900000000, -0.0001687800000000, 0.0000078400000000 ] - [ -0.0006958300000000, -0.0006115500000000, 0.0002307400000000 ] - [ 0.0001719400000000, -0.0000260600000000, -0.0000062100000000 ] - [ -0.0022056700000000, -0.0042642200000000, -0.0030540300000000 ] - [ -0.0006277900000000, 0.0002427800000000, -0.0005940200000000 ] - [ -0.0047021300000000, -0.0001206400000000, -0.0000139800000000 ] - [ -0.0070401900000000, 0.0004557500000000, 0.0002132200000000 ] - [ -0.0008252100000000, 0.0011787200000000, 0.0005885900000000 ] - [ -0.0004284000000000, 0.0002479500000000, -0.0011233200000000 ] - [ 0.0000552200000000, 0.0007409600000000, -0.0004293900000000 ] - [ -0.0013400000000000, 0.0000530500000000, -0.0002096900000000 ] - [ -0.0002253600000000, 0.0002140100000000, 0.0003668500000000 ] - [ 0.0025196100000000, 0.0033098400000000, 0.0005068200000000 ] - [ 0.0010811700000000, 0.0001423100000000, 0.0004989100000000 ] - [ 0.0036792800000000, -0.0009105600000000, 0.0004525600000000 ] - [ -0.0008865300000000, 0.0002779400000000, 0.0002812100000000 ] - [ -0.0015133400000000, 0.0001364900000000, 0.0002130600000000 ] - [ -0.0017922800000000, -0.0003215300000000, -0.0001047800000000 ] - [ -0.0011844600000000, 0.0003562300000000, -0.0002443600000000 ] - [ -0.0041394300000000, -0.0003847400000000, 0.0000725000000000 ] - [ -0.0067864600000000, 0.0006594600000000, -0.0001755200000000 ] - [ 0.0014407900000000, -0.0006004500000000, 0.0002596700000000 ] - [ -0.0003884100000000, 0.0001954100000000, -0.0006381500000000 ] - [ -0.0084389100000000, -0.0007616300000000, -0.0000850600000000 ] - [ -0.0011666800000000, 0.0001123900000000, 0.0003288400000000 ] - [ 0.0017758700000000, -0.0010816800000000, -0.0002548700000000 ] - [ -0.0002160800000000, -0.0000793500000000, 0.0011019100000000 ] - [ -0.0013838500000000, -0.0034692800000000, -0.0001556000000000 ] - [ -0.0021142200000000, 0.0020624800000000, 0.0023072800000000 ] - [ -0.0018988100000000, -0.0007467300000000, 0.0012725800000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0041490100000000, -0.0036127100000000, 0.0040977600000000 ] - [ 0.0029529600000000, 0.0004783000000000, 0.0000663300000000 ] - [ 0.0031796800000000, -0.0007121000000000, -0.0183848000000000 ] - [ 0.0031749800000000, -0.0006237000000000, 0.0004270400000000 ] - [ -0.0032249300000000, -0.0000079000000000, -0.0007580700000000 ] - [ -0.0018497200000000, 0.0008615900000000, 0.0001545100000000 ] - [ -0.0019953700000000, -0.0008714200000000, 0.0000053600000000 ] - [ -0.0046762800000000, 0.0000769000000000, 0.0003708300000000 ] - [ 0.0005363500000000, -0.0006455000000000, -0.0007108500000000 ] - [ 0.0014346800000000, 0.0025916400000000, -0.0025684900000000 ] - [ 0.0011898100000000, -0.0019771900000000, -0.0005013600000000 ] - [ -0.0017897600000000, -0.0005559400000000, 0.0030531400000000 ] - [ 0.0019576300000000, 0.0020044600000000, 0.0019789000000000 ] - [ -0.0014310800000000, -0.0003267600000000, -0.0012274800000000 ] - [ -0.0005862000000000, 0.0009127200000000, -0.0006722000000000 ] - [ -0.0003461200000000, 0.0000710200000000, -0.0006550700000000 ] - [ -0.0005015300000000, -0.0002478500000000, -0.0006430400000000 ] - [ -0.0006987900000000, 0.0001897800000000, 0.0007326700000000 ] - [ -0.0017899500000000, -0.0006483800000000, -0.0006628400000000 ] - [ -0.0006195500000000, -0.0012653800000000, 0.0002957700000000 ] - [ -0.0006909300000000, 0.0004000800000000, 0.0005195900000000 ] - [ -0.0004682400000000, -0.0009113400000000, 0.0011006600000000 ] - [ -0.0049897800000000, 0.0061419700000000, -0.0004722700000000 ] - [ -0.0001169400000000, 0.0004607600000000, -0.0007049300000000 ] - [ -0.0016791300000000, -0.0000581600000000, -0.0025330900000000 ] - [ 0.0025273200000000, 0.0015863300000000, 0.0015692900000000 ] - [ -0.0028034700000000, 0.0003124300000000, 0.0024883700000000 ] - [ 0.0188303700000000, 0.0012407800000000, 0.0034814700000000 ] - [ 0.2418081700000000, 0.0116374900000000, 0.0164290000000000 ] - [ -0.0120970500000000, -0.0311975800000000, 0.0438069900000000 ] - [ 0.0044820600000000, 0.0067671800000000, -0.0071151500000000 ] - [ -0.0109277800000000, 0.0026818200000000, -0.0050643500000000 ] - [ 0.0069658000000000, 0.0038316400000000, -0.0015646500000000 ] - [ 0.0036994900000000, -0.0000194400000000, -0.0003178800000000 ] - [ -0.0117672400000000, 0.0030209100000000, 0.0045794900000000 ] - [ 0.0111996100000000, -0.0067305500000000, 0.0053248600000000 ] - [ 0.0023594700000000, -0.0013826300000000, -0.0008482200000000 ] - [ 0.0142576100000000, -0.0106732400000000, -0.0101888600000000 ] - [ 0.0073040200000000, 0.0098201800000000, 0.0111606500000000 ] - [ 0.0011829700000000, -0.0221374600000000, -0.0020916600000000 ] - [ 0.0032937100000000, 0.0000793700000000, -0.0016119200000000 ] - [ -0.0181270600000000, -0.0279630600000000, -0.0347531500000000 ] - [ 0.0044335400000000, -0.0034749900000000, 0.0003633600000000 ] - [ -0.0907197300000000, -0.0094151400000000, 0.0122186900000000 ] - [ 0.0040972000000000, -0.0031653900000000, -0.0006172100000000 ] - [ 0.0008794300000000, 0.0003620100000000, -0.0072335500000000 ] - [ 0.0024462300000000, 0.0004607900000000, 0.0003974400000000 ] - [ 0.0016932600000000, -0.0002414000000000, 0.0053530100000000 ] - [ 0.0015062600000000, 0.0000187900000000, 0.0005250800000000 ] - [ -0.0082069500000000, 0.0031069000000000, -0.0033052100000000 ] - [ 0.0012042700000000, 0.0005547700000000, -0.0008622200000000 ] - [ -0.0077331800000000, 0.0019044700000000, 0.0004293500000000 ] - [ -0.0050248100000000, -0.0005397600000000, -0.0004939200000000 ] - [ -0.0044826000000000, -0.0021337700000000, -0.0021809400000000 ] - [ -0.0028120900000000, 0.0032052000000000, 0.0016248600000000 ] - [ 0.0023324900000000, 0.0004023500000000, 0.0016037300000000 ] - [ -0.0029590000000000, -0.0002659700000000, 0.0000113500000000 ] - [ -0.0049569200000000, 0.0009991700000000, -0.0006182700000000 ] - [ 0.0017575000000000, 0.0011293100000000, -0.0012539700000000 ] - [ -0.0040852300000000, 0.0001641100000000, -0.0005968300000000 ] - [ -0.0044035400000000, -0.0019540300000000, -0.0000393800000000 ] - [ -0.0048740800000000, 0.0003659100000000, 0.0010172900000000 ] - [ -0.0026998200000000, 0.0036257100000000, -0.0013161000000000 ] - [ -0.0105821500000000, -0.0070044300000000, -0.0002515800000000 ] - [ -0.0074229400000000, 0.0022829500000000, 0.0037167000000000 ] - [ -0.0033874200000000, -0.0020182800000000, 0.0022212100000000 ] - [ -0.0063664300000000, -0.0009557700000000, 0.0007420500000000 ] - [ -0.0027320100000000, -0.0033765700000000, 0.0002192400000000 ] - [ -0.0069570900000000, -0.0012245000000000, -0.0003456500000000 ] - [ -0.0019159400000000, 0.0001582200000000, 0.0012820700000000 ] - [ -0.0022420900000000, -0.0011148500000000, -0.0004916300000000 ] - [ -0.0024627400000000, -0.0001162400000000, -0.0011089000000000 ] - [ 0.0028358800000000, 0.0005974500000000, -0.0022066200000000 ] - [ -0.0050428500000000, 0.0003160500000000, 0.0008859100000000 ] - [ -0.0199817500000000, -0.0047866800000000, -0.0060942400000000 ] - [ 0.0013677900000000, -0.0015289200000000, 0.0026131500000000 ] - [ 0.0049913100000000, 0.0125254800000000, 0.0043615100000000 ] - [ -0.0014534200000000, 0.0022220800000000, -0.0011505100000000 ] - [ -0.0217749200000000, -0.0001040400000000, 0.0016153300000000 ] - [ 0.0012184100000000, 0.0007648100000000, 0.0004658500000000 ] - [ -0.0928554800000000, 0.0224093700000000, -0.0145165600000000 ] - [ 0.0108559000000000, -0.0032029400000000, 0.0000798300000000 ] - [ -0.0039720200000000, -0.0002376500000000, -0.0001805100000000 ] - [ -0.0005555200000000, -0.0020133600000000, -0.0008494600000000 ] - [ 0.0057336600000000, -0.0003821700000000, 0.0002966100000000 ] - [ 0.0016787400000000, 0.0006539400000000, 0.0017515300000000 ] - [ -0.0029117500000000, -0.0016023300000000, 0.0026042800000000 ] - [ 0.0093763800000000, -0.0151197300000000, -0.0156137700000000 ] - [ -0.0003292800000000, -0.0010625000000000, -0.0011962100000000 ] - [ -0.0001069400000000, 0.0007750500000000, -0.0015562800000000 ] - [ -0.0020107600000000, -0.0000441900000000, 0.0014279700000000 ] - [ 0.0084144800000000, 0.0013543400000000, 0.0020754800000000 ] - [ 0.0015285900000000, -0.0010417900000000, -0.0000621000000000 ] - [ -0.0033226300000000, -0.0006634200000000, -0.0010124300000000 ] - [ 0.0044619100000000, 0.0072742800000000, -0.0007511900000000 ] - [ -0.0043155200000000, 0.0039682800000000, -0.0062571700000000 ] - [ -0.0020636800000000, 0.0024992500000000, 0.0004339700000000 ] - [ -0.0220051000000000, -0.0006870500000000, -0.0023918800000000 ] - [ -0.0023697800000000, -0.0014304000000000, 0.0003548600000000 ] - [ 0.0001304600000000, 0.0012644800000000, 0.0018458100000000 ] - [ 0.0003985700000000, 0.0005855700000000, 0.0001025400000000 ] - [ 0.0070127000000000, 0.0021018200000000, -0.0028500500000000 ] - [ 0.0011640800000000, 0.0008662900000000, -0.0014558500000000 ] - [ -0.0132285000000000, -0.0013126900000000, -0.0008129200000000 ] - [ -0.0052895800000000, 0.0006249900000000, 0.0003300200000000 ] - [ -0.0005472900000000, -0.0016975000000000, 0.0012586900000000 ] - [ 0.0020062500000000, -0.0007548900000000, -0.0078637300000000 ] - [ 0.0011712100000000, -0.0015075100000000, -0.0025734500000000 ] - [ -0.0196169700000000, 0.0070531600000000, 0.0046340200000000 ] - [ 0.0094997300000000, -0.0094254500000000, 0.0108785800000000 ] - [ 0.0033477800000000, -0.0021414000000000, -0.0000063600000000 ] - [ 0.0025437400000000, 0.0009087800000000, 0.0024241400000000 ] - [ 0.0066998200000000, -0.0001771800000000, -0.0004230700000000 ] - [ -0.0006108400000000, -0.0000742800000000, 0.0012329000000000 ] - [ -0.0019093300000000, 0.0045239100000000, -0.0004032400000000 ] - [ 0.0018294000000000, 0.0216228400000000, -0.0019869000000000 ] - [ -0.0017259500000000, -0.0007995900000000, -0.0002926700000000 ] - [ -0.0093048400000000, -0.0023009000000000, 0.0010250300000000 ] - [ -0.0050370700000000, 0.0012874100000000, -0.0002245100000000 ] - [ 0.0023884500000000, -0.0001598200000000, 0.0004033900000000 ] - [ -0.0002067700000000, 0.0001318100000000, -0.0018573300000000 ] - [ -0.0122792500000000, 0.0017978000000000, -0.0001744900000000 ] - [ -0.0016457800000000, 0.0033837300000000, 0.0014107900000000 ] - [ 0.0028263500000000, -0.0002505900000000, -0.0002348200000000 ] - [ 0.0033709900000000, -0.0006488500000000, 0.0080759200000000 ] - [ 0.0042771600000000, 0.0172252600000000, -0.0055881500000000 ] - [ -0.0002874000000000, -0.0021638800000000, 0.0007491000000000 ] - [ -0.0031159300000000, 0.0034619700000000, 0.0074636700000000 ] - [ -0.0012714200000000, 0.0004666200000000, 0.0003581900000000 ] - [ 0.0030588000000000, 0.0005895200000000, -0.0001024500000000 ] - [ 0.0023312400000000, 0.0000339000000000, -0.0002164000000000 ] - [ 0.0000192500000000, -0.0008526300000000, -0.0004255400000000 ] - [ 0.0013294900000000, 0.0026529200000000, -0.0009002300000000 ] - [ 0.0010414700000000, -0.0003416700000000, 0.0000492900000000 ] - [ 0.0028044200000000, 0.0001622000000000, 0.0003411400000000 ] - [ 0.0003242000000000, -0.0002820200000000, -0.0001834100000000 ] - [ 0.0049005100000000, 0.0005228900000000, 0.0000295500000000 ] - [ 0.0000004100000000, 0.0011170200000000, -0.0001368100000000 ] - [ 0.0048457900000000, -0.0002032900000000, 0.0000742500000000 ] - [ 0.0023038500000000, -0.0022633700000000, 0.0018869400000000 ] - [ -0.0022479900000000, 0.0013531600000000, 0.0002718600000000 ] - [ -0.0001015700000000, -0.0005178800000000, -0.0002981200000000 ] - [ 0.0020263400000000, -0.0000327900000000, -0.0003547700000000 ] - [ -0.0004673300000000, 0.0000065900000000, 0.0001368500000000 ] - [ 0.0009769300000000, -0.0015513300000000, 0.0011053000000000 ] - [ 0.0009519800000000, 0.0014103600000000, 0.0001611000000000 ] - [ 0.0009088400000000, 0.0003660900000000, 0.0002112900000000 ] - [ 0.0005635000000000, 0.0029069400000000, -0.0018388300000000 ] - [ -0.0010835900000000, -0.0003392700000000, 0.0000267100000000 ] - [ 0.0026065000000000, 0.0000990600000000, 0.0001920600000000 ] - [ 0.0035830900000000, 0.0032493900000000, 0.0002964800000000 ] - [ 0.0016857500000000, 0.0000010300000000, 0.0009510800000000 ] - [ 0.0013112100000000, -0.0003438400000000, 0.0004197900000000 ] - [ 0.0013343400000000, -0.0008332400000000, -0.0000125100000000 ] - [ 0.0009922400000000, 0.0004819600000000, 0.0000024200000000 ] - [ 0.0006390000000000, 0.0014778800000000, 0.0000239200000000 ] - [ 0.0002982400000000, 0.0003364400000000, 0.0000182000000000 ] - [ 0.0014732000000000, 0.0046421000000000, 0.0028153800000000 ] - [ -0.0001261100000000, -0.0002449600000000, 0.0005952800000000 ] - [ 0.0046910100000000, -0.0005242300000000, 0.0000152300000000 ] - [ 0.0070177800000000, 0.0001931900000000, -0.0002106800000000 ] - [ 0.0007687500000000, -0.0020431900000000, -0.0008374700000000 ] - [ 0.0005076900000000, 0.0005328300000000, 0.0013050700000000 ] - [ 0.0000504400000000, -0.0015170000000000, 0.0006212200000000 ] - [ 0.0009446200000000, -0.0009317300000000, -0.0000980000000000 ] - [ -0.0004647500000000, 0.0001802600000000, -0.0001452100000000 ] - [ -0.0028966600000000, -0.0036267100000000, -0.0005077600000000 ] - [ -0.0011534800000000, 0.0006282200000000, -0.0003268700000000 ] - [ -0.0020877200000000, 0.0008698600000000, -0.0004290200000000 ] - [ -0.0006455800000000, -0.0002750800000000, -0.0002791000000000 ] - [ 0.0015625200000000, 0.0007495000000000, -0.0004681400000000 ] - [ 0.0016982800000000, 0.0010997700000000, -0.0000805000000000 ] - [ 0.0007889200000000, 0.0005144700000000, -0.0000657100000000 ] - [ 0.0041292700000000, -0.0007380600000000, 0.0000735100000000 ] - [ 0.0067651100000000, 0.0004668800000000, 0.0003203700000000 ] - [ -0.0006842200000000, 0.0005991700000000, -0.0002623800000000 ] - [ -0.0003104600000000, -0.0005854700000000, 0.0004116800000000 ] - [ 0.0084139500000000, -0.0003661800000000, -0.0000625200000000 ] - [ 0.0007717400000000, 0.0007673700000000, -0.0000205900000000 ] - [ -0.0010449100000000, 0.0007002700000000, 0.0004914800000000 ] - [ 0.0006682700000000, 0.0003952900000000, -0.0011096200000000 ] - [ 0.0013237100000000, 0.0025649200000000, 0.0004085100000000 ] - [ 0.0024829800000000, -0.0029085900000000, -0.0019717900000000 ] - [ 0.0018050900000000, -0.0000326100000000, -0.0010865500000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0091152100000000, 0.0061028800000000, -0.0108091700000000 ] - [ -0.0013341500000000, 0.0005450900000000, 0.0010674900000000 ] - [ 0.0040104600000000, -0.0110301900000000, 0.0038790800000000 ] - [ -0.0003589100000000, 0.0072291500000000, -0.0005005400000000 ] - [ 0.0008688200000000, 0.0012835100000000, 0.0001943700000000 ] - [ -0.0000576800000000, 0.0000061900000000, 0.0003291200000000 ] - [ -0.0000877000000000, 0.0004205300000000, -0.0001702100000000 ] - [ 0.0008074500000000, -0.0018169100000000, 0.0000462400000000 ] - [ 0.0006657500000000, 0.0009022300000000, -0.0004204700000000 ] - [ -0.0067852400000000, -0.0025952900000000, -0.0083663700000000 ] - [ 0.0021277400000000, 0.0050205500000000, -0.0011870200000000 ] - [ 0.0004400300000000, -0.0005250600000000, 0.0004218300000000 ] - [ -0.0051483700000000, -0.0016670100000000, 0.0073091000000000 ] - [ 0.0004312500000000, -0.0001521400000000, 0.0010221200000000 ] - [ -0.0003375800000000, 0.0005525600000000, -0.0007609200000000 ] - [ -0.0002648400000000, 0.0001322900000000, -0.0005406800000000 ] - [ 0.0002200600000000, -0.0002783400000000, -0.0006192300000000 ] - [ 0.0001044900000000, 0.0002124600000000, 0.0006415400000000 ] - [ 0.0003990000000000, -0.0003841700000000, -0.0006784100000000 ] - [ 0.0003494600000000, 0.0016044300000000, 0.0007166200000000 ] - [ 0.0001638400000000, 0.0003679700000000, 0.0006212500000000 ] - [ 0.0001759200000000, 0.0017665300000000, 0.0004656500000000 ] - [ -0.0035664400000000, -0.0024607600000000, -0.0005940000000000 ] - [ -0.0002188500000000, -0.0009647400000000, -0.0005929800000000 ] - [ 0.0007505400000000, -0.0004765400000000, -0.0001968000000000 ] - [ -0.0004545400000000, 0.0049484600000000, -0.0004400000000000 ] - [ -0.0003805600000000, -0.0001310600000000, 0.0006755500000000 ] - [ 0.0010014300000000, 0.1085670000000000, 0.0112616400000000 ] - [ -0.0139257200000000, -0.2292835000000000, 0.0014632500000000 ] - [ 0.0349542600000000, -0.0093722500000000, -0.0044291300000000 ] - [ -0.0053488100000000, 0.0017000800000000, 0.0000639200000000 ] - [ -0.0002317300000000, -0.0010072400000000, -0.0001528300000000 ] - [ -0.0028930100000000, -0.0117222700000000, 0.0006995200000000 ] - [ -0.0005563300000000, 0.0020668900000000, 0.0001159300000000 ] - [ -0.0013210100000000, -0.0005407500000000, -0.0002348400000000 ] - [ -0.0065400000000000, 0.0252276500000000, -0.0208541800000000 ] - [ 0.0018982700000000, 0.0005332200000000, -0.0007282200000000 ] - [ -0.0111801700000000, 0.0344496400000000, 0.0345840400000000 ] - [ -0.0092971200000000, 0.0018957300000000, -0.0003571200000000 ] - [ 0.0189798700000000, -0.0040387400000000, 0.0015731000000000 ] - [ 0.0005872800000000, 0.0037876100000000, 0.0017415600000000 ] - [ 0.0354499400000000, -0.0072470900000000, 0.0024959000000000 ] - [ 0.0020297700000000, 0.0168837400000000, -0.0022784900000000 ] - [ -0.0085981200000000, -0.0105761800000000, 0.0001788100000000 ] - [ 0.0026428800000000, 0.0158899300000000, 0.0066286200000000 ] - [ 0.0036817100000000, -0.0024974400000000, 0.0047249300000000 ] - [ -0.0000025600000000, -0.0032513800000000, 0.0000430700000000 ] - [ 0.0013174500000000, -0.0025640100000000, -0.0037953900000000 ] - [ -0.0007787400000000, 0.0011976100000000, 0.0035293700000000 ] - [ 0.0020679900000000, -0.0047111900000000, 0.0009342900000000 ] - [ -0.0004840500000000, 0.0024670200000000, -0.0033894700000000 ] - [ 0.0017878900000000, 0.0011369500000000, -0.0004319700000000 ] - [ 0.0000304700000000, 0.0013105900000000, -0.0003366200000000 ] - [ 0.0024072800000000, 0.0006216100000000, 0.0011575600000000 ] - [ -0.0034805600000000, -0.0036163100000000, 0.0015875600000000 ] - [ -0.0111054000000000, 0.0073032600000000, 0.0070122500000000 ] - [ 0.0004718000000000, 0.0011185200000000, -0.0001309200000000 ] - [ 0.0004823200000000, 0.0009029500000000, 0.0000231700000000 ] - [ -0.0097099900000000, 0.0092793000000000, -0.0080886700000000 ] - [ 0.0002448900000000, -0.0013000200000000, 0.0003918900000000 ] - [ 0.0024953800000000, 0.0024771300000000, -0.0000333500000000 ] - [ -0.0001488300000000, -0.0007497900000000, 0.0000426900000000 ] - [ -0.0031013000000000, -0.0025439900000000, -0.0009759000000000 ] - [ 0.0054128200000000, 0.0052894000000000, -0.0000667400000000 ] - [ 0.0028278700000000, -0.0048278900000000, -0.0008756200000000 ] - [ 0.0027109800000000, 0.0011842900000000, -0.0014297500000000 ] - [ 0.0010819000000000, -0.0010725100000000, 0.0003326700000000 ] - [ -0.0028445100000000, 0.0052809100000000, -0.0004680400000000 ] - [ 0.0007127000000000, -0.0013548400000000, -0.0000348000000000 ] - [ 0.0008156300000000, 0.0007967700000000, -0.0003410400000000 ] - [ -0.0011575500000000, 0.0030248200000000, -0.0001250300000000 ] - [ 0.0001109600000000, 0.0002250800000000, 0.0004867500000000 ] - [ -0.0003445900000000, 0.0005813400000000, -0.0000968500000000 ] - [ 0.0008664100000000, 0.0018360600000000, -0.0006337100000000 ] - [ 0.0047361100000000, 0.0341753500000000, 0.0210378000000000 ] - [ 0.0008170300000000, 0.0000001900000000, 0.0002621000000000 ] - [ -0.0008167200000000, 0.0047701100000000, -0.0003936800000000 ] - [ 0.0000057800000000, -0.0095095100000000, 0.0018469300000000 ] - [ -0.0081504300000000, 0.0058232300000000, 0.0074337100000000 ] - [ -0.0011570100000000, -0.0010434300000000, -0.0003782300000000 ] - [ -0.0114777200000000, 0.0191930900000000, -0.0016115700000000 ] - [ 0.0004705000000000, 0.0013920400000000, 0.0001457100000000 ] - [ -0.0008571300000000, -0.0004408100000000, 0.0008612000000000 ] - [ 0.0004287700000000, -0.0022581700000000, 0.0003953700000000 ] - [ 0.0002959900000000, 0.0003767300000000, 0.0000664100000000 ] - [ -0.0023790200000000, 0.0002772600000000, -0.0003048200000000 ] - [ -0.0000639800000000, 0.0045100200000000, -0.0076807600000000 ] - [ 0.0010866400000000, 0.0019172900000000, 0.0012905300000000 ] - [ 0.0009592900000000, -0.0020422100000000, 0.0002234300000000 ] - [ -0.0008933100000000, 0.0021583400000000, 0.0014935000000000 ] - [ 0.0001654300000000, 0.0026301300000000, -0.0036622600000000 ] - [ -0.0088820700000000, 0.0006421400000000, -0.0006936000000000 ] - [ -0.0000850700000000, -0.0003981600000000, -0.0002638900000000 ] - [ 0.0011955300000000, 0.0019319800000000, 0.0034923900000000 ] - [ -0.0070261100000000, -0.0009311300000000, 0.0003529400000000 ] - [ -0.0044084400000000, -0.0019878900000000, 0.0050264700000000 ] - [ -0.0000576000000000, -0.0110719100000000, 0.0005029000000000 ] - [ -0.0007786000000000, 0.0536679600000000, -0.0380793900000000 ] - [ 0.0005825900000000, 0.0026065500000000, -0.0002896900000000 ] - [ -0.0003408900000000, 0.0011429300000000, -0.0004275000000000 ] - [ -0.0000167000000000, 0.0007142700000000, -0.0001760500000000 ] - [ -0.0068992600000000, 0.0007247400000000, 0.0006792800000000 ] - [ -0.0018217500000000, 0.0003334200000000, 0.0002049200000000 ] - [ 0.0130849200000000, -0.0018823500000000, -0.0028274200000000 ] - [ -0.0007110000000000, -0.0014813300000000, -0.0007208600000000 ] - [ 0.0004593700000000, -0.0026701700000000, -0.0004263300000000 ] - [ -0.0011919000000000, 0.0055109700000000, 0.0029183000000000 ] - [ 0.0010792700000000, -0.0001259600000000, -0.0001316900000000 ] - [ -0.0014093300000000, 0.0035309900000000, -0.0016823600000000 ] - [ 0.0005889900000000, 0.0013295000000000, 0.0000678100000000 ] - [ -0.0003065000000000, -0.0001752700000000, 0.0001183700000000 ] - [ -0.0002691900000000, 0.0008331500000000, 0.0002010500000000 ] - [ 0.0008562000000000, 0.0001165900000000, -0.0000663200000000 ] - [ -0.0009697600000000, 0.0010237800000000, 0.0001356000000000 ] - [ 0.0002670000000000, -0.0136411000000000, -0.0004469400000000 ] - [ 0.0024657100000000, 0.0200269300000000, -0.0011727400000000 ] - [ 0.0002677400000000, 0.0040704100000000, 0.0056321200000000 ] - [ 0.0080594500000000, -0.0007569800000000, 0.0025914400000000 ] - [ 0.0008894800000000, -0.0028625500000000, 0.0007175400000000 ] - [ 0.0002805400000000, 0.0001156300000000, -0.0000367800000000 ] - [ 0.0002881400000000, 0.0012363000000000, -0.0013386600000000 ] - [ -0.0273482500000000, -0.0085115500000000, -0.0003758900000000 ] - [ -0.0002373200000000, -0.0089254300000000, -0.0024104500000000 ] - [ 0.0003871800000000, -0.0000919300000000, 0.0000300400000000 ] - [ -0.0016268800000000, 0.0052234300000000, -0.0024552900000000 ] - [ -0.0013875800000000, 0.0063069900000000, -0.0007507500000000 ] - [ 0.0003862300000000, -0.0024708500000000, -0.0001306800000000 ] - [ -0.0056151600000000, -0.0014014100000000, -0.0051559900000000 ] - [ -0.0008630200000000, -0.0038334300000000, 0.0033884900000000 ] - [ 0.0001211000000000, 0.0003057200000000, -0.0000704500000000 ] - [ -0.0003787200000000, -0.0001522300000000, 0.0001009700000000 ] - [ 0.0035539000000000, -0.0008120600000000, -0.0032530800000000 ] - [ -0.0000152300000000, -0.0038793300000000, 0.0002316800000000 ] - [ -0.0000612700000000, 0.0003565900000000, -0.0001059800000000 ] - [ -0.0005921400000000, 0.0001157600000000, 0.0000274600000000 ] - [ -0.0003010900000000, -0.0004331100000000, -0.0001045200000000 ] - [ 0.0007489400000000, -0.0001371800000000, -0.0000777300000000 ] - [ 0.0023021200000000, -0.0041310900000000, 0.0002096100000000 ] - [ -0.0012400000000000, -0.0004961300000000, -0.0000215300000000 ] - [ 0.0004550300000000, 0.0030880800000000, 0.0002763600000000 ] - [ 0.0068681500000000, -0.0193865900000000, -0.0122204700000000 ] - [ -0.0011045300000000, -0.0015394200000000, 0.0001028900000000 ] - [ -0.0000549800000000, -0.0003744400000000, 0.0000420900000000 ] - [ 0.0028725500000000, -0.0007323700000000, 0.0003837100000000 ] - [ 0.0002734200000000, 0.0027874700000000, -0.0000819100000000 ] - [ -0.0000544300000000, -0.0012208000000000, -0.0005913200000000 ] - [ -0.0000343100000000, -0.0001468300000000, 0.0000379400000000 ] - [ -0.0033327500000000, -0.0021831100000000, 0.0014575100000000 ] - [ 0.0000481900000000, -0.0001493300000000, -0.0002383900000000 ] - [ 0.0003703400000000, -0.0001097900000000, -0.0001563500000000 ] - [ -0.0025540900000000, -0.0010961400000000, 0.0002652700000000 ] - [ -0.0007126200000000, -0.0000464600000000, -0.0005151500000000 ] - [ -0.0004151100000000, 0.0003827100000000, 0.0002910500000000 ] - [ -0.0001599600000000, -0.0014933700000000, 0.0002544600000000 ] - [ -0.0004839800000000, -0.0002431200000000, 0.0000018600000000 ] - [ -0.0001838500000000, -0.0012078400000000, 0.0001719100000000 ] - [ 0.0008429300000000, -0.0014074600000000, -0.0001495100000000 ] - [ -0.0028647100000000, -0.0025841800000000, -0.0025270300000000 ] - [ -0.0006023400000000, -0.0006486200000000, 0.0001958600000000 ] - [ 0.0009040000000000, -0.0001527600000000, 0.0002458800000000 ] - [ -0.0016279700000000, 0.0007908200000000, 0.0001473500000000 ] - [ 0.0000297400000000, 0.0020538600000000, -0.0001986700000000 ] - [ -0.0001987500000000, -0.0002439700000000, -0.0005244800000000 ] - [ 0.0034490500000000, -0.0019600900000000, 0.0041982400000000 ] - [ -0.0003075900000000, -0.0014243400000000, 0.0000260700000000 ] - [ 0.0039379900000000, -0.0003113800000000, -0.0002117800000000 ] - [ 0.0114665700000000, -0.0106659600000000, -0.0005658200000000 ] - [ 0.0001838100000000, -0.0029552500000000, -0.0037539300000000 ] - [ 0.0048795900000000, -0.0128156500000000, 0.0077742500000000 ] - [ 0.0007390000000000, -0.0003801100000000, -0.0006927600000000 ] - [ -0.0001744700000000, 0.0012866500000000, -0.0001624000000000 ] - [ -0.0004652600000000, -0.0003928500000000, -0.0000865000000000 ] - [ -0.0003534700000000, -0.0001728400000000, -0.0003729500000000 ] - [ 0.0009505400000000, -0.0004628100000000, -0.0002114300000000 ] - [ -0.0015992200000000, 0.0010358200000000, -0.0001405000000000 ] - [ -0.0001241900000000, -0.0020614600000000, -0.0001879700000000 ] - [ 0.0010480700000000, -0.0008051200000000, 0.0005950400000000 ] - [ -0.0030824400000000, -0.0007550000000000, -0.0001888700000000 ] - [ -0.0002698100000000, 0.0011945700000000, 0.0000309000000000 ] - [ -0.0004365900000000, -0.0034984100000000, -0.0004235600000000 ] - [ 0.0002823000000000, -0.0007433700000000, 0.0005520500000000 ] - [ -0.0004108800000000, -0.0040086700000000, 0.0002594700000000 ] - [ 0.0006446000000000, 0.0021197100000000, -0.0000126800000000 ] - [ -0.0004865700000000, -0.0002659400000000, 0.0006450700000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0091839900000000, -0.0051399900000000, 0.0103988700000000 ] - [ 0.0013247900000000, 0.0004188500000000, -0.0006142800000000 ] - [ -0.0040325100000000, 0.0100956700000000, -0.0042358900000000 ] - [ 0.0003281800000000, -0.0082115500000000, 0.0009557300000000 ] - [ -0.0008579900000000, -0.0003202500000000, -0.0006480200000000 ] - [ 0.0000656400000000, 0.0009622400000000, 0.0001238700000000 ] - [ 0.0000997500000000, -0.0013906000000000, -0.0002851100000000 ] - [ -0.0007915600000000, 0.0008533900000000, 0.0004099900000000 ] - [ -0.0004705400000000, -0.0010909700000000, -0.0008560400000000 ] - [ 0.0070226600000000, 0.0024146000000000, 0.0097136500000000 ] - [ -0.0019215500000000, -0.0048225900000000, -0.0000920900000000 ] - [ -0.0006325300000000, 0.0003428600000000, 0.0008461000000000 ] - [ 0.0053736400000000, 0.0018536400000000, -0.0060795100000000 ] - [ -0.0006237700000000, 0.0003419500000000, 0.0002653200000000 ] - [ 0.0001396800000000, -0.0003717400000000, -0.0005183300000000 ] - [ 0.0000672500000000, -0.0003203200000000, -0.0007396900000000 ] - [ -0.0000192900000000, 0.0000936500000000, -0.0006583500000000 ] - [ 0.0000975400000000, -0.0004022500000000, 0.0006385000000000 ] - [ -0.0001920900000000, 0.0005774700000000, -0.0005991500000000 ] - [ -0.0005440000000000, -0.0017948800000000, 0.0005624300000000 ] - [ 0.0000368700000000, -0.0001840200000000, 0.0006598500000000 ] - [ -0.0003726900000000, -0.0015833100000000, 0.0008101100000000 ] - [ 0.0033885000000000, 0.0026550300000000, -0.0006843000000000 ] - [ 0.0000220300000000, 0.0007805200000000, -0.0006876200000000 ] - [ 0.0002779100000000, 0.0004777000000000, 0.0002095500000000 ] - [ 0.0000369400000000, -0.0047464000000000, 0.0007852800000000 ] - [ 0.0003930500000000, 0.0009480300000000, -0.0006927500000000 ] - [ -0.0005950300000000, -0.1107460100000000, -0.0117839000000000 ] - [ 0.0121398500000000, 0.2324378700000000, -0.0058942700000000 ] - [ -0.0348924400000000, 0.0085319300000000, 0.0043385800000000 ] - [ 0.0049334900000000, -0.0019646500000000, 0.0003116500000000 ] - [ 0.0002783000000000, 0.0001738900000000, 0.0001870100000000 ] - [ 0.0032715400000000, 0.0119747500000000, -0.0010418000000000 ] - [ 0.0000520800000000, -0.0014985900000000, -0.0005392500000000 ] - [ 0.0003620400000000, 0.0005238400000000, 0.0002083200000000 ] - [ 0.0069180600000000, -0.0254591000000000, 0.0211490300000000 ] - [ -0.0014355200000000, 0.0000375300000000, 0.0003098100000000 ] - [ 0.0106770000000000, -0.0338745700000000, -0.0340583500000000 ] - [ 0.0097474800000000, -0.0013976100000000, 0.0007267200000000 ] - [ -0.0194830200000000, 0.0039361800000000, -0.0019273700000000 ] - [ -0.0001309900000000, -0.0043594500000000, -0.0013186500000000 ] - [ -0.0343384800000000, 0.0072293600000000, -0.0024197400000000 ] - [ -0.0016714900000000, -0.0167077100000000, 0.0026678400000000 ] - [ 0.0096069700000000, 0.0100658700000000, -0.0006615400000000 ] - [ -0.0031554700000000, -0.0165089300000000, -0.0062584900000000 ] - [ -0.0036876900000000, 0.0033135700000000, -0.0047155700000000 ] - [ -0.0004025700000000, 0.0034830400000000, -0.0003913600000000 ] - [ -0.0023461900000000, 0.0025740200000000, 0.0037884400000000 ] - [ 0.0018036200000000, -0.0012030900000000, -0.0035493900000000 ] - [ -0.0024456900000000, 0.0049411400000000, -0.0005870200000000 ] - [ 0.0004865300000000, -0.0016563100000000, 0.0034201800000000 ] - [ -0.0013626100000000, -0.0013770100000000, 0.0000869200000000 ] - [ -0.0004871200000000, -0.0018785700000000, -0.0000828700000000 ] - [ -0.0023942600000000, -0.0014294800000000, -0.0011513700000000 ] - [ 0.0031166600000000, 0.0034073900000000, -0.0012533400000000 ] - [ 0.0111845300000000, -0.0081481100000000, -0.0070617700000000 ] - [ -0.0000626000000000, -0.0008996300000000, -0.0002160800000000 ] - [ -0.0009423900000000, -0.0003488300000000, -0.0004464700000000 ] - [ 0.0087936300000000, -0.0093101500000000, 0.0081331900000000 ] - [ 0.0001706200000000, 0.0010818500000000, -0.0000432400000000 ] - [ -0.0020030900000000, -0.0019186000000000, -0.0003900200000000 ] - [ -0.0003108600000000, 0.0013198900000000, 0.0003762300000000 ] - [ 0.0036174800000000, 0.0031189700000000, 0.0014113600000000 ] - [ -0.0057858500000000, -0.0055072200000000, -0.0002745700000000 ] - [ -0.0023291600000000, 0.0042699000000000, 0.0012940900000000 ] - [ -0.0016813500000000, -0.0011772000000000, 0.0014227700000000 ] - [ -0.0006624800000000, 0.0013029000000000, 0.0000082100000000 ] - [ 0.0033639200000000, -0.0058609900000000, 0.0000426400000000 ] - [ -0.0011666700000000, 0.0008031500000000, 0.0004600800000000 ] - [ -0.0008093000000000, 0.0000181800000000, 0.0003375900000000 ] - [ 0.0007797600000000, -0.0028121100000000, -0.0002188600000000 ] - [ -0.0011259300000000, -0.0002252100000000, -0.0004837500000000 ] - [ -0.0001289900000000, -0.0002744900000000, 0.0001002100000000 ] - [ -0.0008518500000000, -0.0007124500000000, 0.0004846400000000 ] - [ -0.0033005600000000, -0.0322818500000000, -0.0186687400000000 ] - [ -0.0003624500000000, -0.0003025100000000, -0.0002859800000000 ] - [ 0.0011814800000000, -0.0057445600000000, 0.0000601500000000 ] - [ 0.0000617300000000, 0.0086569400000000, -0.0021112100000000 ] - [ 0.0090816700000000, -0.0045220700000000, -0.0080733700000000 ] - [ 0.0012419400000000, 0.0002665000000000, 0.0001950600000000 ] - [ 0.0116409600000000, -0.0188789400000000, 0.0017800500000000 ] - [ -0.0004558000000000, -0.0005968900000000, -0.0003313500000000 ] - [ 0.0008853300000000, -0.0002067700000000, -0.0008655000000000 ] - [ -0.0004769500000000, 0.0031666700000000, -0.0006568000000000 ] - [ 0.0003901100000000, 0.0000148400000000, -0.0002964800000000 ] - [ 0.0016668900000000, -0.0006678200000000, 0.0005283900000000 ] - [ 0.0007798300000000, -0.0049135300000000, 0.0074598900000000 ] - [ -0.0018917700000000, -0.0018284500000000, -0.0012001200000000 ] - [ -0.0005653400000000, 0.0029363200000000, 0.0000918900000000 ] - [ 0.0012899200000000, -0.0012895100000000, -0.0018005200000000 ] - [ -0.0000998500000000, -0.0017599500000000, 0.0039304600000000 ] - [ 0.0073342000000000, -0.0006454800000000, 0.0006797200000000 ] - [ -0.0000059100000000, -0.0003751100000000, 0.0000823600000000 ] - [ 0.0003535000000000, -0.0019342100000000, -0.0034862500000000 ] - [ 0.0074879100000000, 0.0006507700000000, -0.0003442400000000 ] - [ 0.0039660400000000, 0.0016818900000000, -0.0050425400000000 ] - [ -0.0003254700000000, 0.0102335200000000, -0.0001530100000000 ] - [ 0.0009882100000000, -0.0580741600000000, 0.0414290900000000 ] - [ -0.0010356000000000, -0.0022975100000000, 0.0003003300000000 ] - [ 0.0002871100000000, -0.0002656800000000, 0.0006776500000000 ] - [ 0.0004762700000000, -0.0004078800000000, 0.0001865300000000 ] - [ 0.0061671700000000, -0.0003407100000000, -0.0008905000000000 ] - [ 0.0010699700000000, -0.0003336800000000, -0.0002032700000000 ] - [ -0.0130677500000000, 0.0012301600000000, 0.0028244500000000 ] - [ 0.0007395000000000, 0.0021341100000000, 0.0007292200000000 ] - [ -0.0005120400000000, 0.0018003200000000, 0.0001646300000000 ] - [ 0.0012664500000000, -0.0047452500000000, -0.0027281800000000 ] - [ -0.0010033800000000, -0.0006446000000000, 0.0003310000000000 ] - [ 0.0010525000000000, -0.0053351800000000, 0.0005878400000000 ] - [ -0.0013392300000000, -0.0008919900000000, 0.0001085800000000 ] - [ -0.0001676100000000, -0.0001242300000000, -0.0001100300000000 ] - [ 0.0001716300000000, -0.0000597500000000, -0.0000312500000000 ] - [ 0.0006542600000000, -0.0001158800000000, 0.0000701800000000 ] - [ -0.0005696400000000, -0.0010247100000000, -0.0001413300000000 ] - [ -0.0002007400000000, 0.0145627600000000, 0.0001440800000000 ] - [ -0.0029907800000000, -0.0193878300000000, 0.0010970600000000 ] - [ -0.0006551200000000, -0.0032081100000000, -0.0059668200000000 ] - [ -0.0080387300000000, -0.0003665900000000, -0.0024461200000000 ] - [ -0.0008603500000000, 0.0039966700000000, -0.0005786900000000 ] - [ 0.0004602200000000, -0.0001176800000000, 0.0000379800000000 ] - [ -0.0009994400000000, -0.0016332200000000, 0.0011272200000000 ] - [ 0.0274919300000000, 0.0074266400000000, 0.0002373600000000 ] - [ -0.0001447100000000, 0.0098254700000000, 0.0027243200000000 ] - [ 0.0003125800000000, -0.0002997500000000, 0.0001961000000000 ] - [ 0.0020721000000000, -0.0049250400000000, 0.0024441700000000 ] - [ 0.0013243900000000, -0.0072970000000000, 0.0010377100000000 ] - [ 0.0000107600000000, 0.0016115300000000, 0.0004426400000000 ] - [ 0.0055324500000000, 0.0006251800000000, 0.0053255300000000 ] - [ 0.0004048700000000, 0.0041585100000000, -0.0034282500000000 ] - [ -0.0001347600000000, 0.0008207400000000, -0.0000745000000000 ] - [ 0.0011225000000000, 0.0001486500000000, -0.0001037300000000 ] - [ -0.0031157800000000, 0.0005061300000000, 0.0032647200000000 ] - [ 0.0004008700000000, 0.0030081200000000, -0.0005399000000000 ] - [ 0.0001108600000000, -0.0012397400000000, -0.0001515000000000 ] - [ 0.0012949000000000, 0.0002733800000000, 0.0001980800000000 ] - [ 0.0003857000000000, -0.0003451700000000, -0.0000779400000000 ] - [ -0.0007758400000000, 0.0007845300000000, 0.0000761200000000 ] - [ -0.0022458800000000, 0.0049248200000000, -0.0003884100000000 ] - [ 0.0012178700000000, -0.0001496300000000, 0.0000194300000000 ] - [ -0.0005160100000000, -0.0022153900000000, -0.0005364600000000 ] - [ -0.0062048900000000, 0.0198905100000000, 0.0120291200000000 ] - [ 0.0003933900000000, 0.0011490100000000, 0.0001222000000000 ] - [ 0.0007600000000000, -0.0000186200000000, -0.0002639400000000 ] - [ -0.0036499100000000, 0.0007339600000000, -0.0003874000000000 ] - [ 0.0001142500000000, -0.0019220300000000, 0.0003900000000000 ] - [ 0.0004417100000000, 0.0020969800000000, 0.0002814300000000 ] - [ 0.0000849900000000, 0.0010347000000000, 0.0002207000000000 ] - [ 0.0018000200000000, 0.0021725200000000, -0.0014531900000000 ] - [ -0.0001286800000000, -0.0006327400000000, 0.0000538400000000 ] - [ 0.0011644400000000, 0.0001084900000000, 0.0001556400000000 ] - [ 0.0030034500000000, 0.0007703400000000, -0.0002570400000000 ] - [ 0.0002479000000000, -0.0002664600000000, 0.0005023100000000 ] - [ 0.0000174400000000, -0.0012581000000000, 0.0000145800000000 ] - [ 0.0002089100000000, 0.0006216400000000, 0.0000031300000000 ] - [ 0.0000205800000000, 0.0005533100000000, 0.0000083600000000 ] - [ 0.0001263000000000, 0.0020925000000000, 0.0000859400000000 ] - [ -0.0003909700000000, 0.0017238500000000, 0.0001580600000000 ] - [ 0.0021565400000000, 0.0029550800000000, 0.0022913500000000 ] - [ -0.0001470100000000, 0.0006478200000000, -0.0001959200000000 ] - [ -0.0009352100000000, -0.0004947700000000, -0.0002449200000000 ] - [ 0.0016088800000000, -0.0001446600000000, -0.0001446900000000 ] - [ -0.0000886600000000, -0.0029450200000000, -0.0000575800000000 ] - [ 0.0002834900000000, 0.0010217000000000, 0.0007035400000000 ] - [ -0.0033834200000000, 0.0011877700000000, -0.0040432900000000 ] - [ -0.0000886600000000, 0.0005612700000000, -0.0003375900000000 ] - [ -0.0046763100000000, 0.0007023300000000, 0.0004394900000000 ] - [ -0.0119612700000000, 0.0104067500000000, 0.0005843700000000 ] - [ -0.0002648500000000, 0.0037427500000000, 0.0039588300000000 ] - [ -0.0033992500000000, 0.0129431900000000, -0.0078370100000000 ] - [ -0.0022905400000000, 0.0003831900000000, 0.0006978800000000 ] - [ 0.0002222700000000, -0.0004081100000000, -0.0000929000000000 ] - [ 0.0003727600000000, 0.0011690500000000, -0.0000960600000000 ] - [ -0.0000416500000000, 0.0010516000000000, 0.0000646000000000 ] - [ -0.0009784300000000, -0.0006635200000000, 0.0003579200000000 ] - [ 0.0015806400000000, 0.0000891000000000, 0.0002857500000000 ] - [ 0.0008820200000000, 0.0020658500000000, 0.0001968900000000 ] - [ -0.0017698200000000, 0.0004181100000000, -0.0008260200000000 ] - [ 0.0030521700000000, -0.0003689600000000, 0.0000441700000000 ] - [ -0.0001254900000000, -0.0003236900000000, 0.0002797400000000 ] - [ 0.0011569900000000, 0.0031094800000000, 0.0006406600000000 ] - [ 0.0001766300000000, 0.0010542900000000, -0.0005584600000000 ] - [ 0.0003499600000000, 0.0031297500000000, -0.0000027600000000 ] - [ -0.0002611500000000, -0.0030027000000000, 0.0003252200000000 ] - [ 0.0003949600000000, -0.0005145900000000, -0.0004585700000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0064184800000000, -0.0045526300000000, 0.0041276300000000 ] - [ -0.0004058600000000, 0.0004761400000000, 0.0048475800000000 ] - [ 0.0129010700000000, 0.0011428200000000, 0.0161938300000000 ] - [ -0.0003694800000000, -0.0001155500000000, -0.0033864000000000 ] - [ 0.0007980100000000, 0.0010580300000000, -0.0001601100000000 ] - [ 0.0001728300000000, 0.0005078600000000, 0.0009890100000000 ] - [ -0.0000065400000000, -0.0004215800000000, -0.0001278900000000 ] - [ 0.0003266600000000, -0.0004699200000000, -0.0010650300000000 ] - [ 0.0001738800000000, -0.0000688000000000, 0.0011743100000000 ] - [ 0.0050033900000000, -0.0037288800000000, 0.0074618400000000 ] - [ 0.0004094100000000, 0.0003107500000000, -0.0039395400000000 ] - [ -0.0001788200000000, -0.0000966100000000, 0.0003484600000000 ] - [ -0.0029511100000000, 0.0024897600000000, 0.0055523700000000 ] - [ 0.0002904800000000, 0.0002661200000000, 0.0009532900000000 ] - [ -0.0001283100000000, -0.0000042800000000, -0.0012732000000000 ] - [ -0.0001309200000000, -0.0001306100000000, -0.0000530100000000 ] - [ 0.0001251300000000, -0.0000663300000000, -0.0004576800000000 ] - [ -0.0000260400000000, -0.0000851300000000, 0.0006038400000000 ] - [ 0.0003066800000000, 0.0001749400000000, -0.0008112000000000 ] - [ 0.0008090700000000, 0.0006312500000000, 0.0005543400000000 ] - [ 0.0003129100000000, -0.0000245800000000, 0.0006805200000000 ] - [ -0.0008721400000000, -0.0006404000000000, 0.0007153500000000 ] - [ -0.0000233500000000, 0.0000699100000000, -0.0021038600000000 ] - [ -0.0000444400000000, -0.0000951300000000, 0.0000974200000000 ] - [ 0.0016037500000000, 0.0003106600000000, 0.0016836200000000 ] - [ -0.0032080300000000, 0.0014693300000000, 0.0003129800000000 ] - [ -0.0008090200000000, 0.0001398300000000, 0.0009444700000000 ] - [ 0.0020136700000000, 0.0056565800000000, -0.0665341300000000 ] - [ -0.0169932500000000, 0.0031063900000000, -0.1760049900000000 ] - [ -0.0439056400000000, -0.0029723400000000, -0.0090295200000000 ] - [ 0.0060521200000000, -0.0023392000000000, 0.0004542100000000 ] - [ 0.0021343100000000, -0.0004959100000000, -0.0006384500000000 ] - [ -0.0010593200000000, -0.0013557900000000, 0.0099400900000000 ] - [ -0.0001531300000000, -0.0000745500000000, 0.0054278700000000 ] - [ -0.0004411300000000, -0.0006323100000000, -0.0018178100000000 ] - [ 0.0048694500000000, -0.0264334100000000, 0.0216604900000000 ] - [ -0.0003932200000000, 0.0007852400000000, 0.0021806600000000 ] - [ -0.0106018000000000, 0.0346016900000000, 0.0325035500000000 ] - [ -0.0107068900000000, -0.0002952300000000, -0.0022260800000000 ] - [ -0.0003619200000000, 0.0030976700000000, -0.0022943300000000 ] - [ 0.0020583600000000, -0.0017963300000000, 0.0007313200000000 ] - [ 0.0380824000000000, 0.0030736700000000, -0.0105399200000000 ] - [ 0.0006632400000000, 0.0083930400000000, 0.0014975900000000 ] - [ 0.0129546100000000, 0.0001685700000000, -0.0067170000000000 ] - [ -0.0010910300000000, -0.0066804900000000, 0.0013294500000000 ] - [ 0.0048800800000000, 0.0002886400000000, 0.0102427300000000 ] - [ -0.0008407300000000, -0.0002827200000000, 0.0025527900000000 ] - [ -0.0036810800000000, 0.0000975900000000, 0.0106005800000000 ] - [ -0.0003601000000000, 0.0003664500000000, 0.0028231300000000 ] - [ 0.0038740700000000, -0.0015858300000000, 0.0008865000000000 ] - [ 0.0016452300000000, 0.0001384200000000, 0.0030370400000000 ] - [ 0.0006389600000000, -0.0005658100000000, -0.0008218000000000 ] - [ 0.0000446400000000, -0.0003968200000000, -0.0006926600000000 ] - [ 0.0007105700000000, -0.0001867400000000, -0.0003272400000000 ] - [ -0.0010490200000000, 0.0008945300000000, 0.0001321600000000 ] - [ -0.0021257900000000, 0.0006541100000000, -0.0026402400000000 ] - [ 0.0004345100000000, 0.0000258800000000, 0.0002490600000000 ] - [ 0.0001692700000000, 0.0000369400000000, 0.0005734500000000 ] - [ 0.0016761300000000, -0.0011487200000000, -0.0031293100000000 ] - [ 0.0001165900000000, 0.0001351100000000, 0.0001826800000000 ] - [ 0.0004352500000000, 0.0000992200000000, 0.0025884800000000 ] - [ 0.0005666100000000, 0.0001039600000000, -0.0000631600000000 ] - [ 0.0017844100000000, -0.0009264600000000, 0.0001113100000000 ] - [ -0.0004342600000000, -0.0007995400000000, -0.0042913000000000 ] - [ -0.0032344100000000, 0.0008036800000000, 0.0011254100000000 ] - [ 0.0002375700000000, 0.0005645400000000, -0.0012888800000000 ] - [ 0.0016295800000000, -0.0000043600000000, 0.0001736000000000 ] - [ 0.0006824900000000, -0.0005157200000000, -0.0015354400000000 ] - [ -0.0007838300000000, -0.0000248900000000, 0.0005598400000000 ] - [ -0.0006923000000000, 0.0006826600000000, 0.0006247700000000 ] - [ 0.0002435900000000, -0.0000272600000000, 0.0010617700000000 ] - [ -0.0000830800000000, -0.0000675500000000, 0.0009366700000000 ] - [ -0.0004552800000000, 0.0000978100000000, 0.0003052100000000 ] - [ 0.0012677100000000, 0.0006218600000000, -0.0022494100000000 ] - [ 0.0041399700000000, 0.0214285900000000, 0.0343282100000000 ] - [ -0.0010014300000000, -0.0004613700000000, -0.0004807300000000 ] - [ -0.0014684000000000, -0.0027083300000000, 0.0012149000000000 ] - [ 0.0002226600000000, 0.0057133300000000, -0.0046773300000000 ] - [ 0.0114257500000000, 0.0029752600000000, 0.0120271900000000 ] - [ -0.0000648000000000, -0.0004662000000000, -0.0051865600000000 ] - [ 0.0020000700000000, -0.0025699500000000, 0.0166479900000000 ] - [ -0.0013405900000000, 0.0008592000000000, 0.0009253200000000 ] - [ 0.0004958800000000, -0.0003359400000000, -0.0011815800000000 ] - [ 0.0007007800000000, -0.0006200500000000, 0.0008891100000000 ] - [ -0.0003274700000000, 0.0004716800000000, 0.0002144900000000 ] - [ -0.0024005800000000, -0.0009319400000000, -0.0017051500000000 ] - [ -0.0013868200000000, 0.0032470800000000, -0.0090470800000000 ] - [ -0.0001261900000000, 0.0039151300000000, 0.0044902100000000 ] - [ 0.0009797100000000, -0.0003006100000000, -0.0006133000000000 ] - [ 0.0008802600000000, 0.0000162900000000, -0.0015166700000000 ] - [ 0.0002280600000000, 0.0001363100000000, -0.0053404200000000 ] - [ -0.0082672000000000, -0.0006953600000000, 0.0016629600000000 ] - [ -0.0001656300000000, -0.0002950300000000, -0.0009523500000000 ] - [ 0.0022797700000000, -0.0011747600000000, -0.0065088800000000 ] - [ 0.0002007600000000, 0.0001464500000000, 0.0098308200000000 ] - [ 0.0050260400000000, 0.0005727600000000, -0.0045575300000000 ] - [ -0.0004587000000000, 0.0075803100000000, 0.0020655900000000 ] - [ 0.0008890500000000, -0.0149969800000000, 0.0628056800000000 ] - [ -0.0004806000000000, 0.0001525200000000, -0.0048998500000000 ] - [ -0.0008828900000000, -0.0002460900000000, -0.0021826400000000 ] - [ 0.0003694400000000, 0.0000679900000000, -0.0009138500000000 ] - [ 0.0060011300000000, 0.0013399700000000, 0.0019321900000000 ] - [ 0.0009697800000000, 0.0011504700000000, -0.0020584700000000 ] - [ 0.0142846700000000, -0.0022534700000000, -0.0026035700000000 ] - [ -0.0016527300000000, 0.0007650700000000, 0.0000203000000000 ] - [ -0.0004667900000000, 0.0006485000000000, -0.0012323100000000 ] - [ 0.0046533000000000, 0.0005259900000000, -0.0041656600000000 ] - [ 0.0012735400000000, 0.0003115000000000, 0.0003741200000000 ] - [ -0.0013009100000000, -0.0212004600000000, 0.0381481700000000 ] - [ -0.0027818600000000, 0.0004174100000000, 0.0004804400000000 ] - [ -0.0005196000000000, 0.0000879100000000, 0.0007964900000000 ] - [ -0.0002888500000000, 0.0003297900000000, -0.0002157900000000 ] - [ 0.0004558900000000, -0.0001366100000000, 0.0004223300000000 ] - [ -0.0019836100000000, -0.0002890600000000, -0.0014930700000000 ] - [ 0.0003218700000000, -0.0101103900000000, 0.0016958900000000 ] - [ -0.0056567900000000, -0.0017117600000000, 0.0226799600000000 ] - [ 0.0000974100000000, 0.0007040200000000, -0.0055979700000000 ] - [ -0.0081987700000000, 0.0017788200000000, -0.0026677700000000 ] - [ 0.0029441900000000, 0.0004280200000000, 0.0002126900000000 ] - [ 0.0000962300000000, 0.0003882400000000, -0.0005871200000000 ] - [ 0.0008043300000000, 0.0008391100000000, -0.0014001000000000 ] - [ 0.0002632600000000, 0.0001337600000000, 0.0042959400000000 ] - [ -0.0002269500000000, -0.0061329200000000, -0.0043385100000000 ] - [ 0.0003388700000000, -0.0003635500000000, -0.0002199800000000 ] - [ -0.0052421700000000, -0.0005131200000000, -0.0027220400000000 ] - [ -0.0000368300000000, -0.0031316900000000, 0.0027951300000000 ] - [ -0.0001337500000000, 0.0009246000000000, 0.0010043300000000 ] - [ -0.0066577300000000, -0.0010757200000000, -0.0040895800000000 ] - [ -0.0014434700000000, -0.0013627000000000, 0.0002144100000000 ] - [ -0.0003532600000000, 0.0005516600000000, -0.0002846200000000 ] - [ 0.0002925000000000, 0.0002597100000000, 0.0003940300000000 ] - [ 0.0014172000000000, -0.0017269400000000, -0.0005380400000000 ] - [ 0.0003679000000000, -0.0003019900000000, 0.0005101800000000 ] - [ 0.0000160700000000, -0.0007437900000000, -0.0003959900000000 ] - [ 0.0001404700000000, 0.0000103100000000, 0.0003254500000000 ] - [ 0.0000747100000000, -0.0004518100000000, -0.0006935100000000 ] - [ -0.0003563500000000, 0.0003347000000000, 0.0001799100000000 ] - [ -0.0000967300000000, 0.0003575700000000, 0.0018757300000000 ] - [ -0.0003738500000000, -0.0003401700000000, -0.0003603200000000 ] - [ -0.0006055900000000, 0.0013039100000000, 0.0003033800000000 ] - [ 0.0006822000000000, 0.0021164500000000, 0.0035113300000000 ] - [ 0.0005811300000000, -0.0008177500000000, -0.0009586600000000 ] - [ 0.0004164400000000, -0.0000555500000000, -0.0003109400000000 ] - [ -0.0008471900000000, 0.0007187600000000, 0.0009378700000000 ] - [ -0.0002431800000000, 0.0014339400000000, -0.0004452600000000 ] - [ -0.0001569400000000, 0.0002574800000000, -0.0008859100000000 ] - [ -0.0000625600000000, 0.0005148400000000, -0.0001125600000000 ] - [ -0.0003438700000000, -0.0007862400000000, 0.0012257300000000 ] - [ -0.0000939800000000, -0.0004301400000000, -0.0019376700000000 ] - [ 0.0005932100000000, -0.0001519000000000, -0.0002703900000000 ] - [ -0.0004527900000000, -0.0007505900000000, 0.0005096400000000 ] - [ -0.0003798000000000, -0.0003162000000000, -0.0001752000000000 ] - [ -0.0002967900000000, -0.0005650600000000, 0.0003137700000000 ] - [ -0.0000472600000000, -0.0003331700000000, 0.0004460200000000 ] - [ -0.0002661200000000, 0.0001257500000000, -0.0004975600000000 ] - [ 0.0001140200000000, 0.0005322600000000, -0.0005867500000000 ] - [ 0.0000468800000000, 0.0001645200000000, -0.0015030600000000 ] - [ -0.0006458000000000, 0.0002347200000000, 0.0003437900000000 ] - [ -0.0007012100000000, 0.0008966000000000, -0.0010860400000000 ] - [ -0.0011828300000000, -0.0001831300000000, -0.0000605000000000 ] - [ 0.0016510600000000, 0.0002796700000000, 0.0000395700000000 ] - [ 0.0003244700000000, -0.0012806200000000, -0.0006733900000000 ] - [ -0.0004723300000000, 0.0007443000000000, -0.0000845600000000 ] - [ -0.0014799300000000, 0.0013762200000000, -0.0005679600000000 ] - [ -0.0003004300000000, -0.0003081700000000, 0.0000035000000000 ] - [ -0.0000529900000000, -0.0002976000000000, 0.0008298000000000 ] - [ -0.0001299500000000, 0.0005485900000000, 0.0051401100000000 ] - [ 0.0008376900000000, 0.0015753500000000, 0.0002880300000000 ] - [ 0.0001142700000000, -0.0002739600000000, 0.0042908200000000 ] - [ -0.0004587000000000, -0.0004322500000000, -0.0006450200000000 ] - [ -0.0001436500000000, 0.0004665900000000, 0.0001700900000000 ] - [ -0.0001310600000000, 0.0003073000000000, 0.0004586400000000 ] - [ -0.0002708800000000, 0.0004407400000000, -0.0004089900000000 ] - [ 0.0003671200000000, -0.0007699700000000, -0.0000228300000000 ] - [ -0.0023729900000000, 0.0004847000000000, 0.0000812500000000 ] - [ 0.0010258500000000, 0.0025519600000000, -0.0028451400000000 ] - [ -0.0010947800000000, 0.0003763900000000, -0.0008356800000000 ] - [ -0.0002583900000000, -0.0006322200000000, 0.0007490900000000 ] - [ -0.0003185800000000, 0.0005983400000000, -0.0000295400000000 ] - [ -0.0007220000000000, -0.0026002200000000, -0.0024052300000000 ] - [ 0.0009838000000000, -0.0004315500000000, 0.0002203500000000 ] - [ -0.0002438500000000, -0.0004913400000000, 0.0011244300000000 ] - [ 0.0005982800000000, -0.0010630600000000, 0.0005308700000000 ] - [ -0.0001481600000000, -0.0004332300000000, 0.0002852800000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0063928600000000, 0.0054997200000000, -0.0046064000000000 ] - [ 0.0003911500000000, 0.0004984000000000, -0.0044163500000000 ] - [ -0.0131766100000000, -0.0021378300000000, -0.0168355900000000 ] - [ 0.0003567600000000, -0.0008444400000000, 0.0038595300000000 ] - [ -0.0007872700000000, -0.0000921100000000, -0.0002945500000000 ] - [ -0.0001661000000000, 0.0004576800000000, -0.0005397500000000 ] - [ 0.0000168300000000, -0.0005439200000000, -0.0003250900000000 ] - [ -0.0003083100000000, -0.0004995200000000, 0.0015271900000000 ] - [ 0.0000212300000000, -0.0001127200000000, -0.0024604900000000 ] - [ -0.0047785400000000, 0.0034937300000000, -0.0061449700000000 ] - [ -0.0002113500000000, -0.0001095400000000, 0.0026810000000000 ] - [ -0.0000126800000000, -0.0000875200000000, 0.0009162500000000 ] - [ 0.0031971800000000, -0.0023453000000000, -0.0043355800000000 ] - [ -0.0004839000000000, -0.0000794000000000, 0.0003366300000000 ] - [ -0.0000677200000000, 0.0001870200000000, -0.0000032100000000 ] - [ -0.0000670300000000, -0.0000560200000000, -0.0012296300000000 ] - [ 0.0000745200000000, -0.0001195500000000, -0.0008209000000000 ] - [ 0.0002280600000000, -0.0001030600000000, 0.0006757600000000 ] - [ -0.0000993300000000, 0.0000157400000000, -0.0004657100000000 ] - [ -0.0010081400000000, -0.0008144600000000, 0.0007234100000000 ] - [ -0.0001133600000000, 0.0002105600000000, 0.0006005300000000 ] - [ 0.0006799900000000, 0.0008379300000000, 0.0005602900000000 ] - [ -0.0001737000000000, 0.0001037500000000, 0.0008332300000000 ] - [ -0.0001506400000000, -0.0000955100000000, -0.0013814800000000 ] - [ -0.0005853100000000, -0.0003102500000000, -0.0016753300000000 ] - [ 0.0028113700000000, -0.0012612000000000, 0.0000200700000000 ] - [ 0.0008198100000000, 0.0006793700000000, -0.0009701300000000 ] - [ -0.0016840200000000, -0.0058491800000000, 0.0667099100000000 ] - [ 0.0150796200000000, -0.0042421900000000, 0.1735587800000000 ] - [ 0.0444058500000000, 0.0022667000000000, 0.0090914400000000 ] - [ -0.0065245600000000, 0.0020993500000000, -0.0000655200000000 ] - [ -0.0020941500000000, -0.0003390600000000, 0.0006806000000000 ] - [ 0.0014341200000000, 0.0015845200000000, -0.0103297600000000 ] - [ -0.0003394200000000, 0.0005999500000000, -0.0058818400000000 ] - [ -0.0005160500000000, 0.0006160400000000, 0.0017949700000000 ] - [ -0.0045569700000000, 0.0265628300000000, -0.0215606300000000 ] - [ 0.0008530800000000, -0.0002326100000000, -0.0026138200000000 ] - [ 0.0101303800000000, -0.0340217200000000, -0.0320856300000000 ] - [ 0.0111605700000000, 0.0008099900000000, 0.0025884800000000 ] - [ -0.0000198500000000, -0.0032221800000000, 0.0019655700000000 ] - [ -0.0016067600000000, 0.0012460300000000, -0.0002943300000000 ] - [ -0.0370293200000000, -0.0029963200000000, 0.0105848300000000 ] - [ -0.0002872300000000, -0.0081983700000000, -0.0011738000000000 ] - [ -0.0119400100000000, -0.0006910100000000, 0.0062502900000000 ] - [ 0.0006061100000000, 0.0061874400000000, -0.0008932000000000 ] - [ -0.0048872600000000, 0.0005337600000000, -0.0102623500000000 ] - [ 0.0004187500000000, 0.0005111200000000, -0.0029182200000000 ] - [ 0.0027095700000000, -0.0000819500000000, -0.0106807500000000 ] - [ 0.0013868200000000, -0.0003747900000000, -0.0028325500000000 ] - [ -0.0042471300000000, 0.0017967300000000, -0.0005428700000000 ] - [ -0.0016530800000000, 0.0006722100000000, -0.0030523200000000 ] - [ -0.0002074300000000, 0.0003349500000000, 0.0004793000000000 ] - [ -0.0005037500000000, -0.0001629000000000, 0.0002724800000000 ] - [ -0.0006877700000000, -0.0006181400000000, 0.0003438100000000 ] - [ 0.0006719000000000, -0.0011377700000000, 0.0002159100000000 ] - [ 0.0020990000000000, -0.0014750400000000, 0.0026600000000000 ] - [ -0.0000251700000000, 0.0001982200000000, -0.0005980700000000 ] - [ -0.0006252900000000, 0.0005235300000000, -0.0010003200000000 ] - [ -0.0027240200000000, 0.0011533600000000, 0.0031285200000000 ] - [ 0.0002991800000000, -0.0003609800000000, 0.0001683000000000 ] - [ 0.0000703900000000, 0.0004781200000000, -0.0030279100000000 ] - [ -0.0010295600000000, 0.0004597900000000, 0.0004824000000000 ] - [ -0.0012961800000000, 0.0014824000000000, 0.0003138500000000 ] - [ 0.0000828200000000, 0.0006158700000000, 0.0039753200000000 ] - [ 0.0037759700000000, -0.0013914700000000, -0.0007134000000000 ] - [ 0.0008048100000000, -0.0005547100000000, 0.0012783900000000 ] - [ -0.0012106300000000, 0.0002295200000000, 0.0001660600000000 ] - [ -0.0001967400000000, -0.0000306000000000, 0.0011149700000000 ] - [ 0.0003419800000000, -0.0005344200000000, -0.0001342600000000 ] - [ 0.0007009200000000, 0.0001304700000000, -0.0006375400000000 ] - [ -0.0006309800000000, 0.0002580800000000, -0.0014120200000000 ] - [ -0.0009343900000000, 0.0000670100000000, -0.0009320900000000 ] - [ -0.0000181400000000, 0.0002109200000000, -0.0003008900000000 ] - [ -0.0012409800000000, 0.0005037500000000, 0.0021121900000000 ] - [ -0.0025950100000000, -0.0189566800000000, -0.0321005800000000 ] - [ 0.0014640400000000, 0.0001605400000000, 0.0004561100000000 ] - [ 0.0018396300000000, 0.0017676500000000, -0.0015761100000000 ] - [ -0.0001529400000000, -0.0066427200000000, 0.0044398900000000 ] - [ -0.0105458700000000, -0.0016126100000000, -0.0127403500000000 ] - [ 0.0001410100000000, -0.0003199500000000, 0.0050312100000000 ] - [ -0.0017273600000000, 0.0030860400000000, -0.0164330000000000 ] - [ 0.0013589200000000, -0.0000586300000000, -0.0011148400000000 ] - [ -0.0004689900000000, -0.0003078000000000, 0.0011849300000000 ] - [ -0.0007549100000000, 0.0015225800000000, -0.0011464900000000 ] - [ 0.0010153000000000, -0.0000819500000000, -0.0004471000000000 ] - [ 0.0016835000000000, 0.0005457000000000, 0.0019364800000000 ] - [ 0.0021093600000000, -0.0036713200000000, 0.0088625900000000 ] - [ -0.0006791500000000, -0.0038304700000000, -0.0043981100000000 ] - [ -0.0005856400000000, 0.0011874900000000, 0.0009361300000000 ] - [ -0.0004861500000000, 0.0008633400000000, 0.0012217500000000 ] - [ -0.0001668600000000, 0.0007625100000000, 0.0056494400000000 ] - [ 0.0067259100000000, 0.0006948900000000, -0.0016846700000000 ] - [ 0.0000755700000000, -0.0004797500000000, 0.0007753000000000 ] - [ -0.0007564400000000, 0.0011701500000000, 0.0065884600000000 ] - [ 0.0002296000000000, -0.0004671100000000, -0.0098841900000000 ] - [ -0.0055136300000000, -0.0009056300000000, 0.0045663100000000 ] - [ 0.0000736400000000, -0.0085466700000000, -0.0017551400000000 ] - [ -0.0006834200000000, 0.0118288100000000, -0.0611552400000000 ] - [ 0.0000261700000000, 0.0001643100000000, 0.0049379300000000 ] - [ 0.0008419100000000, 0.0011378500000000, 0.0024527000000000 ] - [ 0.0000937200000000, 0.0002380000000000, 0.0009288500000000 ] - [ -0.0067960700000000, -0.0009695300000000, -0.0021547400000000 ] - [ -0.0017427600000000, -0.0011569300000000, 0.0020722300000000 ] - [ -0.0142867700000000, 0.0015901800000000, 0.0026063500000000 ] - [ 0.0016832600000000, -0.0001247600000000, -0.0000219300000000 ] - [ 0.0004184500000000, -0.0015341600000000, 0.0009718000000000 ] - [ -0.0046349500000000, 0.0002507400000000, 0.0043853700000000 ] - [ -0.0012007300000000, -0.0010850200000000, -0.0001733700000000 ] - [ 0.0009183500000000, 0.0195890800000000, -0.0395303800000000 ] - [ 0.0020417700000000, 0.0000220600000000, -0.0003205000000000 ] - [ 0.0000454200000000, -0.0003890500000000, -0.0007919900000000 ] - [ 0.0001913800000000, 0.0004455600000000, 0.0003835200000000 ] - [ 0.0010542400000000, 0.0001379300000000, -0.0004195500000000 ] - [ 0.0004581500000000, 0.0002860500000000, 0.0014937600000000 ] - [ -0.0002646600000000, 0.0110390600000000, -0.0019782700000000 ] - [ 0.0051318800000000, 0.0024912200000000, -0.0227959300000000 ] - [ -0.0004868000000000, 0.0001849400000000, 0.0052942200000000 ] - [ 0.0083006400000000, -0.0029355100000000, 0.0028299100000000 ] - [ -0.0029399100000000, 0.0006998400000000, -0.0000656800000000 ] - [ 0.0006465700000000, -0.0003916900000000, 0.0005902600000000 ] - [ -0.0015141800000000, -0.0012435900000000, 0.0011963900000000 ] - [ -0.0002508100000000, -0.0012606100000000, -0.0044624000000000 ] - [ -0.0001547700000000, 0.0070222000000000, 0.0046724400000000 ] - [ 0.0003615500000000, -0.0000264700000000, 0.0004486300000000 ] - [ 0.0056855600000000, 0.0008112500000000, 0.0027210300000000 ] - [ -0.0000404500000000, 0.0021682700000000, -0.0025015400000000 ] - [ 0.0005300800000000, -0.0018005200000000, -0.0007056400000000 ] - [ 0.0065780100000000, 0.0002780300000000, 0.0042701800000000 ] - [ 0.0009952300000000, 0.0016783100000000, -0.0002208800000000 ] - [ 0.0003428600000000, 0.0005734500000000, 0.0001406200000000 ] - [ 0.0004483300000000, -0.0002640600000000, -0.0003969200000000 ] - [ -0.0009688200000000, 0.0014374200000000, 0.0005266600000000 ] - [ 0.0000180000000000, -0.0005910700000000, -0.0008204800000000 ] - [ 0.0000331300000000, -0.0001327300000000, 0.0001392400000000 ] - [ 0.0005587000000000, 0.0003806400000000, -0.0001028200000000 ] - [ 0.0000120100000000, -0.0003229800000000, 0.0005139600000000 ] - [ 0.0003432900000000, 0.0003103400000000, -0.0001837600000000 ] - [ 0.0001856500000000, 0.0004136900000000, -0.0020666600000000 ] - [ 0.0003439600000000, -0.0003066500000000, 0.0003604100000000 ] - [ 0.0005488900000000, -0.0004180800000000, -0.0005621400000000 ] - [ 0.0000582800000000, -0.0017895700000000, -0.0037993100000000 ] - [ -0.0012952000000000, 0.0004341200000000, 0.0011929500000000 ] - [ 0.0002876800000000, -0.0003396900000000, 0.0000917200000000 ] - [ 0.0001003000000000, -0.0007205900000000, -0.0009389700000000 ] - [ 0.0006323000000000, -0.0005579600000000, 0.0007561200000000 ] - [ 0.0005448400000000, 0.0006089100000000, 0.0005795600000000 ] - [ 0.0001133200000000, 0.0003694300000000, 0.0003708100000000 ] - [ -0.0012064200000000, 0.0007718100000000, -0.0012171300000000 ] - [ 0.0000075200000000, -0.0003418900000000, 0.0017638200000000 ] - [ 0.0009412700000000, 0.0001508500000000, 0.0002694100000000 ] - [ 0.0008921500000000, 0.0004209700000000, -0.0005022700000000 ] - [ -0.0000862800000000, 0.0000054400000000, 0.0001583800000000 ] - [ -0.0001018700000000, -0.0003048700000000, -0.0000091000000000 ] - [ 0.0000957200000000, -0.0005444100000000, -0.0001890300000000 ] - [ -0.0001980000000000, 0.0001832300000000, 0.0005100500000000 ] - [ -0.0001732300000000, 0.0003401600000000, 0.0008469800000000 ] - [ 0.0004097900000000, 0.0001449900000000, 0.0015202700000000 ] - [ -0.0000779900000000, 0.0001246500000000, -0.0005940400000000 ] - [ -0.0000457300000000, -0.0008962800000000, 0.0010846900000000 ] - [ 0.0011636800000000, -0.0004632100000000, 0.0000636900000000 ] - [ -0.0016930200000000, 0.0003688600000000, -0.0000379300000000 ] - [ -0.0003862100000000, 0.0004101000000000, 0.0004187600000000 ] - [ 0.0005580300000000, 0.0000293500000000, 0.0002588800000000 ] - [ 0.0015677800000000, -0.0021507400000000, 0.0007567000000000 ] - [ -0.0000958300000000, -0.0005604800000000, -0.0003153800000000 ] - [ -0.0006536300000000, 0.0006944000000000, -0.0006131500000000 ] - [ -0.0003111200000000, -0.0008478200000000, -0.0051551100000000 ] - [ -0.0009214400000000, -0.0008089000000000, -0.0001135800000000 ] - [ 0.0014440000000000, 0.0002581600000000, -0.0043063500000000 ] - [ -0.0010868900000000, 0.0004365100000000, 0.0006488600000000 ] - [ 0.0001909700000000, 0.0004166800000000, -0.0004263800000000 ] - [ 0.0000371800000000, 0.0004662000000000, -0.0006438900000000 ] - [ -0.0001248400000000, 0.0004352400000000, 0.0001019500000000 ] - [ -0.0003922000000000, -0.0003537100000000, 0.0001671700000000 ] - [ 0.0023545900000000, 0.0006423200000000, 0.0000641900000000 ] - [ -0.0002794100000000, -0.0025558100000000, 0.0028494800000000 ] - [ 0.0003846900000000, -0.0007688200000000, 0.0006137600000000 ] - [ 0.0002164900000000, -0.0004943800000000, -0.0008993800000000 ] - [ -0.0000763500000000, 0.0002762300000000, 0.0003409700000000 ] - [ 0.0014409000000000, 0.0022283200000000, 0.0026492900000000 ] - [ -0.0005295100000000, 0.0007429300000000, -0.0002230500000000 ] - [ 0.0001845600000000, -0.0004086400000000, -0.0008721100000000 ] - [ -0.0002166500000000, 0.0001999500000000, -0.0002223300000000 ] - [ 0.0000554500000000, -0.0003462900000000, -0.0000947300000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013745100000000, 0.0013886600000000, -0.0001523900000000 ] - [ -0.0013338500000000, -0.0000050900000000, -0.0004076000000000 ] - [ -0.0008448100000000, -0.0005273300000000, -0.0002679100000000 ] - [ -0.0006481100000000, -0.0008236500000000, 0.0004988600000000 ] - [ -0.0004760000000000, 0.0027243100000000, -0.0004326100000000 ] - [ -0.0006822000000000, -0.0007275200000000, 0.0023609100000000 ] - [ 0.0000798400000000, -0.0002989700000000, -0.0001522700000000 ] - [ -0.0006959900000000, -0.0000475500000000, -0.0026291800000000 ] - [ -0.0002770500000000, -0.0000865800000000, -0.0006559100000000 ] - [ -0.0005000900000000, -0.0001964000000000, 0.0006208500000000 ] - [ -0.0002674200000000, 0.0001284300000000, -0.0006079800000000 ] - [ 0.0095270400000000, -0.0067147300000000, 0.0003294100000000 ] - [ -0.0002327600000000, 0.0001027500000000, 0.0006392500000000 ] - [ 0.0002589800000000, 0.0003931100000000, 0.0005843200000000 ] - [ 0.0002260800000000, -0.0004434600000000, -0.0003389300000000 ] - [ 0.0000167700000000, -0.0007812200000000, -0.0008001100000000 ] - [ 0.0021734200000000, 0.0003633100000000, 0.0003893400000000 ] - [ 0.0015042200000000, -0.0005459100000000, 0.0006127500000000 ] - [ 0.0018903700000000, 0.0004669900000000, -0.0013560600000000 ] - [ -0.0004257100000000, -0.0000229900000000, 0.0006290700000000 ] - [ 0.0007988600000000, -0.0002077000000000, 0.0006176900000000 ] - [ -0.0003658100000000, 0.0000904700000000, 0.0006554400000000 ] - [ -0.0005743200000000, 0.0000421900000000, -0.0009799000000000 ] - [ -0.0006289900000000, -0.0000899700000000, -0.0002224200000000 ] - [ 0.0027946500000000, 0.0004307300000000, -0.0034871100000000 ] - [ -0.0001424500000000, -0.0026615800000000, 0.0001352100000000 ] - [ 0.0235317300000000, -0.0022616800000000, -0.0094987500000000 ] - [ -0.0015173600000000, 0.0004311100000000, -0.0000575100000000 ] - [ -0.0033004400000000, -0.0003805600000000, -0.0004258300000000 ] - [ -0.0016011300000000, -0.0004932300000000, -0.0004698200000000 ] - [ -0.0013332200000000, -0.0012329200000000, 0.0002606000000000 ] - [ 0.0028195900000000, -0.0008042900000000, 0.0016347000000000 ] - [ -0.0026825700000000, -0.0000412000000000, 0.0000500600000000 ] - [ -0.0021558400000000, 0.0007522600000000, -0.0003580100000000 ] - [ 0.0191448600000000, -0.0063035700000000, 0.0112532400000000 ] - [ -0.0013535000000000, -0.0000104000000000, 0.0000675500000000 ] - [ 0.0004633600000000, 0.0036019700000000, -0.0014045500000000 ] - [ -0.0038075700000000, 0.0003414100000000, 0.0004913900000000 ] - [ -0.0039484100000000, -0.0069784700000000, 0.0001997100000000 ] - [ -0.0000371100000000, 0.0031807100000000, 0.0012367100000000 ] - [ 0.0001807400000000, -0.0008821000000000, 0.0000279800000000 ] - [ -0.0024941400000000, 0.0006255700000000, -0.0008988000000000 ] - [ -0.0015463400000000, -0.0004936800000000, 0.0000487900000000 ] - [ -0.0028597800000000, 0.0015687100000000, 0.0052570300000000 ] - [ -0.0014594300000000, -0.0005250800000000, 0.0002422100000000 ] - [ -0.0031141800000000, 0.0009880800000000, 0.0008811400000000 ] - [ -0.0037042700000000, 0.0020729900000000, -0.0054676200000000 ] - [ -0.0020570700000000, -0.0001040900000000, 0.0003556800000000 ] - [ -0.0008275200000000, 0.0000350500000000, 0.0002555000000000 ] - [ -0.0110607600000000, -0.0013575800000000, 0.0015784300000000 ] - [ -0.0021152300000000, 0.0000641200000000, 0.0002780900000000 ] - [ 0.0036750300000000, 0.0021379900000000, -0.0035248700000000 ] - [ 0.0007987200000000, -0.0008891100000000, -0.0014197200000000 ] - [ 0.0020745000000000, -0.0002711400000000, 0.0001140200000000 ] - [ -0.0005583900000000, -0.0006077400000000, 0.0001777100000000 ] - [ -0.0013674100000000, -0.0003530100000000, -0.0000929600000000 ] - [ 0.0015210800000000, 0.0002239700000000, 0.0005239200000000 ] - [ 0.0038019700000000, 0.0044464900000000, 0.0050361700000000 ] - [ -0.0024525000000000, -0.0002871900000000, -0.0003808000000000 ] - [ 0.0013517300000000, -0.0005058200000000, 0.0001801900000000 ] - [ -0.0009000700000000, 0.0008568700000000, 0.0010149300000000 ] - [ 0.0024423400000000, -0.0113667300000000, 0.0001331800000000 ] - [ -0.0030992200000000, -0.0024838900000000, -0.0004559200000000 ] - [ -0.0010115200000000, 0.0002182500000000, -0.0010651000000000 ] - [ 0.0000657900000000, -0.0000286200000000, 0.0003453200000000 ] - [ 0.0036999700000000, 0.0000671600000000, 0.0001951400000000 ] - [ 0.0166982000000000, 0.0069506800000000, -0.0055314500000000 ] - [ -0.0002028200000000, -0.0003216900000000, -0.0009591500000000 ] - [ 0.0018856400000000, 0.0005196000000000, 0.0004594000000000 ] - [ 0.0038736200000000, 0.0003911700000000, -0.0003904000000000 ] - [ -0.0007834900000000, 0.0002868600000000, 0.0003100000000000 ] - [ 0.0015101900000000, 0.0001080800000000, 0.0000990900000000 ] - [ -0.1138882900000000, 0.0061400000000000, -0.0008150700000000 ] - [ 0.0031422300000000, 0.0005377100000000, 0.0002509100000000 ] - [ 0.0018505400000000, -0.0000838400000000, 0.0000291400000000 ] - [ 0.0000732900000000, 0.0004080900000000, 0.0006192500000000 ] - [ 0.0002153700000000, -0.0014208600000000, -0.0008778200000000 ] - [ 0.0004509600000000, -0.0003208600000000, 0.0000049700000000 ] - [ 0.0014341400000000, 0.0002740000000000, 0.0000511300000000 ] - [ 0.0007812200000000, -0.0003824500000000, -0.0005730300000000 ] - [ 0.0033299700000000, 0.0002092700000000, -0.0002806400000000 ] - [ -0.0011546800000000, 0.0006631100000000, -0.0044797000000000 ] - [ 0.0016646300000000, -0.0005945400000000, 0.0001952700000000 ] - [ 0.0000448400000000, 0.0031617200000000, -0.0007059600000000 ] - [ -0.0019356600000000, 0.0004299700000000, 0.0003800800000000 ] - [ 0.0017837100000000, -0.0017181700000000, -0.0013188200000000 ] - [ 0.0020846800000000, -0.0001631000000000, -0.0001793900000000 ] - [ 0.0058994500000000, 0.0053384300000000, -0.0053622100000000 ] - [ 0.0004509400000000, 0.0028783700000000, 0.0003358600000000 ] - [ 0.0022424200000000, -0.0016508900000000, 0.0028966300000000 ] - [ 0.0004955000000000, 0.0002794800000000, 0.0001474300000000 ] - [ 0.0016854800000000, -0.0010966700000000, 0.0012550700000000 ] - [ -0.0018282500000000, 0.0034928200000000, 0.0068708200000000 ] - [ 0.0019538000000000, 0.0000691100000000, 0.0000495400000000 ] - [ 0.0009816800000000, -0.0002194200000000, 0.0004960900000000 ] - [ 0.0004941400000000, -0.0003002400000000, 0.0000217200000000 ] - [ 0.0001312900000000, -0.0004176900000000, 0.0001475700000000 ] - [ 0.0005768400000000, -0.0006352800000000, 0.0001672300000000 ] - [ 0.0008742300000000, 0.0003570300000000, -0.0003411200000000 ] - [ 0.0000691200000000, -0.0009744200000000, 0.0010372800000000 ] - [ -0.0010701900000000, -0.0001651700000000, 0.0056237700000000 ] - [ 0.0003804400000000, 0.0003183800000000, 0.0001847800000000 ] - [ 0.0002011500000000, 0.0002559800000000, -0.0004088400000000 ] - [ 0.0039087300000000, -0.0000322900000000, 0.0000372600000000 ] - [ 0.0009247000000000, 0.0003474600000000, -0.0000466200000000 ] - [ 0.0000727700000000, 0.0001573700000000, 0.0000622600000000 ] - [ 0.0004772100000000, 0.0003488600000000, 0.0001523200000000 ] - [ -0.0047921800000000, 0.0086755200000000, -0.0004843900000000 ] - [ 0.0002530500000000, -0.0006743800000000, -0.0001606500000000 ] - [ -0.0006961700000000, 0.0007491200000000, -0.0010584300000000 ] - [ -0.0006872700000000, 0.0022590900000000, -0.0028149000000000 ] - [ -0.0015202300000000, -0.0001909700000000, 0.0004954300000000 ] - [ 0.0047246900000000, -0.0134192800000000, 0.0151371200000000 ] - [ -0.0008926300000000, 0.0003914000000000, 0.0010526600000000 ] - [ 0.0005177000000000, 0.0007349600000000, -0.0002234500000000 ] - [ 0.0009484800000000, 0.0006058600000000, 0.0003351400000000 ] - [ 0.0003458300000000, 0.0003464000000000, -0.0001951200000000 ] - [ 0.0013387800000000, -0.0004146600000000, 0.0001404200000000 ] - [ 0.0013914400000000, 0.0006558900000000, 0.0001048900000000 ] - [ -0.0017134900000000, 0.0004442100000000, -0.0008818300000000 ] - [ 0.0054521800000000, 0.0051259200000000, 0.0051987400000000 ] - [ 0.0014359700000000, -0.0008245100000000, -0.0002385600000000 ] - [ 0.0003279700000000, 0.0007158200000000, 0.0001493700000000 ] - [ 0.0057243100000000, -0.0193497800000000, -0.0190158000000000 ] - [ 0.0025667700000000, -0.0007667200000000, 0.0000772900000000 ] - [ 0.0017527100000000, -0.0025759100000000, -0.0028857300000000 ] - [ 0.0002521200000000, 0.0001182700000000, 0.0000927200000000 ] - [ 0.0010682400000000, -0.0008707100000000, 0.0000317900000000 ] - [ 0.0006422200000000, 0.0004366400000000, 0.0000411700000000 ] - [ -0.0001558600000000, 0.0008665900000000, -0.0001953200000000 ] - [ -0.0016385200000000, 0.0026980700000000, 0.0019929100000000 ] - [ 0.0007063700000000, -0.0001051800000000, -0.0000689600000000 ] - [ 0.0003705200000000, -0.0006095200000000, 0.0000976900000000 ] - [ -0.0005302900000000, -0.0007459100000000, -0.0008758100000000 ] - [ -0.0007691000000000, 0.0000395400000000, 0.0004112500000000 ] - [ -0.0011366600000000, -0.0008870600000000, -0.0000504600000000 ] - [ -0.0001665200000000, 0.0004205300000000, 0.0001369500000000 ] - [ 0.0005880200000000, 0.0003009700000000, 0.0000593700000000 ] - [ 0.0003802100000000, -0.0009742700000000, -0.0009794000000000 ] - [ 0.0008774200000000, 0.0016906400000000, 0.0005699400000000 ] - [ 0.0012219100000000, 0.0000735700000000, -0.0001829700000000 ] - [ -0.0016421600000000, -0.0001219300000000, 0.0002033800000000 ] - [ -0.0019033500000000, 0.0018055100000000, -0.0014583500000000 ] - [ 0.0006549100000000, 0.0010905300000000, 0.0009820300000000 ] - [ 0.0011137600000000, 0.0023536100000000, -0.0008532500000000 ] - [ 0.0005105700000000, 0.0001072400000000, -0.0004408400000000 ] - [ -0.0007677600000000, -0.0008169800000000, -0.0006666500000000 ] - [ -0.0019713900000000, -0.0000329800000000, -0.0001141900000000 ] - [ 0.0007484900000000, -0.0004983000000000, -0.0002365900000000 ] - [ -0.0005211200000000, -0.0001684800000000, -0.0003155500000000 ] - [ -0.0009112700000000, -0.0006558700000000, -0.0000932900000000 ] - [ -0.0011099600000000, -0.0001872800000000, -0.0000671800000000 ] - [ -0.0008057500000000, -0.0005166100000000, 0.0007764200000000 ] - [ -0.0007240600000000, -0.0006600400000000, 0.0003495900000000 ] - [ -0.0015192600000000, 0.0002189800000000, -0.0001090700000000 ] - [ 0.0001824300000000, 0.0001393500000000, -0.0001563700000000 ] - [ 0.0008539100000000, 0.0000853100000000, -0.0001479400000000 ] - [ -0.0012671900000000, -0.0004288800000000, -0.0004962900000000 ] - [ -0.0012056800000000, -0.0006374000000000, 0.0005337300000000 ] - [ 0.0027716900000000, 0.0007900900000000, 0.0001114000000000 ] - [ -0.0007586900000000, 0.0003076400000000, 0.0002415200000000 ] - [ 0.0002311100000000, -0.0005432300000000, -0.0005875200000000 ] - [ -0.0005725200000000, 0.0005714900000000, -0.0000167900000000 ] - [ 0.0012475500000000, 0.0002770200000000, 0.0001889500000000 ] - [ -0.0007210300000000, -0.0010708700000000, 0.0005120000000000 ] - [ 0.0002604400000000, 0.0001537100000000, 0.0002710200000000 ] - [ 0.0005903700000000, -0.0002890900000000, 0.0001434800000000 ] - [ 0.0005443100000000, 0.0005196700000000, 0.0000170900000000 ] - [ 0.0019793400000000, -0.0000104100000000, 0.0000019600000000 ] - [ 0.0000303700000000, 0.0000218400000000, -0.0002278800000000 ] - [ 0.0054628100000000, 0.0113483700000000, 0.0050280300000000 ] - [ -0.0011566900000000, 0.0004088400000000, -0.0000252600000000 ] - [ -0.0009764100000000, -0.0002845200000000, -0.0002325500000000 ] - [ -0.0003773800000000, -0.0006018800000000, -0.0001406500000000 ] - [ 0.0244404300000000, -0.0050214100000000, 0.0032865500000000 ] - [ 0.0011186300000000, -0.0001047900000000, 0.0000759200000000 ] - [ 0.0008310800000000, 0.0005422900000000, -0.0007070500000000 ] - [ 0.0000249800000000, -0.0013472800000000, 0.0008292400000000 ] - [ 0.0042247200000000, 0.0112948300000000, -0.0053579600000000 ] - [ 0.0015093000000000, -0.0001168400000000, 0.0001351300000000 ] - [ -0.0008511400000000, 0.0009137800000000, 0.0000925600000000 ] - [ 0.0002801100000000, -0.0006495200000000, 0.0004633900000000 ] - [ 0.0004888200000000, -0.0002410400000000, 0.0005854800000000 ] - [ -0.0033117100000000, -0.0012114800000000, 0.0002927200000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013802300000000, -0.0004226600000000, -0.0003014400000000 ] - [ 0.0013458700000000, 0.0009731100000000, 0.0008607000000000 ] - [ 0.0008552800000000, -0.0004428800000000, -0.0001861900000000 ] - [ 0.0006555600000000, -0.0001399400000000, -0.0000433000000000 ] - [ 0.0004626200000000, -0.0017888200000000, -0.0000148100000000 ] - [ 0.0006894600000000, 0.0017128100000000, -0.0019429000000000 ] - [ -0.0000857300000000, -0.0006666000000000, -0.0003044400000000 ] - [ 0.0006905100000000, -0.0009342000000000, 0.0031239000000000 ] - [ 0.0004776700000000, -0.0001000400000000, -0.0006220300000000 ] - [ 0.0007042300000000, 0.0000118600000000, 0.0006601100000000 ] - [ 0.0004684000000000, 0.0000574800000000, -0.0006695000000000 ] - [ -0.0093961900000000, 0.0059584700000000, 0.0009194100000000 ] - [ 0.0004342800000000, 0.0000833700000000, 0.0006406200000000 ] - [ -0.0004555500000000, -0.0002136100000000, 0.0006932100000000 ] - [ -0.0004135700000000, 0.0006455300000000, -0.0009404400000000 ] - [ -0.0002082200000000, 0.0006086400000000, -0.0004791800000000 ] - [ -0.0020062200000000, -0.0005672400000000, -0.0016733200000000 ] - [ -0.0013234500000000, 0.0003745100000000, 0.0006697500000000 ] - [ -0.0017186800000000, -0.0002998500000000, 0.0000795200000000 ] - [ 0.0002316800000000, -0.0001638300000000, 0.0006491900000000 ] - [ -0.0006092400000000, 0.0004023800000000, 0.0006599500000000 ] - [ 0.0001695200000000, 0.0000959600000000, 0.0006217900000000 ] - [ 0.0003827700000000, 0.0001441100000000, -0.0002941900000000 ] - [ 0.0004376600000000, -0.0000962500000000, -0.0010652000000000 ] - [ -0.0017729700000000, -0.0004506300000000, 0.0035518600000000 ] - [ -0.0002409400000000, 0.0029043400000000, 0.0002136800000000 ] - [ -0.0238038700000000, 0.0030217700000000, 0.0096377900000000 ] - [ 0.0019233600000000, -0.0006513400000000, -0.0002882400000000 ] - [ 0.0028445000000000, -0.0001829300000000, 0.0000083900000000 ] - [ 0.0016123100000000, -0.0003217300000000, 0.0004770400000000 ] - [ 0.0009757600000000, 0.0010340400000000, 0.0000832100000000 ] - [ -0.0028216400000000, -0.0000444400000000, -0.0017175200000000 ] - [ 0.0030990900000000, 0.0002611400000000, -0.0004014500000000 ] - [ 0.0016881800000000, -0.0001918100000000, -0.0000650100000000 ] - [ -0.0202388300000000, 0.0062340600000000, -0.0113055100000000 ] - [ 0.0017663200000000, -0.0002087300000000, 0.0002803900000000 ] - [ 0.0000236000000000, -0.0030534100000000, 0.0009788100000000 ] - [ 0.0033554500000000, 0.0002169100000000, -0.0000724900000000 ] - [ 0.0045188800000000, 0.0075516400000000, 0.0002317100000000 ] - [ -0.0003478200000000, -0.0034147500000000, -0.0015799900000000 ] - [ 0.0003061300000000, 0.0003375000000000, 0.0003920100000000 ] - [ 0.0035433300000000, -0.0006365900000000, 0.0009175900000000 ] - [ 0.0019550300000000, 0.0007178700000000, 0.0002991900000000 ] - [ 0.0034083300000000, -0.0021469600000000, -0.0056715500000000 ] - [ 0.0009947700000000, -0.0000328600000000, 0.0001776100000000 ] - [ 0.0031476000000000, -0.0001831200000000, -0.0008966300000000 ] - [ 0.0033804900000000, -0.0018666700000000, 0.0051060700000000 ] - [ 0.0010492900000000, 0.0001049600000000, -0.0003646400000000 ] - [ 0.0018569500000000, -0.0000352600000000, -0.0002597900000000 ] - [ 0.0108400300000000, 0.0016007000000000, -0.0012546300000000 ] - [ 0.0021364800000000, 0.0007572500000000, -0.0002831700000000 ] - [ -0.0033911700000000, -0.0023508100000000, 0.0031955100000000 ] - [ -0.0012968200000000, 0.0003649700000000, 0.0010162100000000 ] - [ -0.0020860000000000, -0.0005408800000000, -0.0001158900000000 ] - [ 0.0001640000000000, 0.0003948200000000, 0.0001692300000000 ] - [ 0.0013762500000000, -0.0004625000000000, 0.0000938500000000 ] - [ -0.0011472700000000, 0.0000156000000000, -0.0008830500000000 ] - [ -0.0043665500000000, -0.0039146800000000, -0.0055052400000000 ] - [ 0.0014523100000000, 0.0002918900000000, 0.0003879400000000 ] - [ -0.0009758600000000, 0.0002831100000000, 0.0001623100000000 ] - [ 0.0013755800000000, -0.0003054200000000, -0.0014547300000000 ] - [ -0.0029711600000000, 0.0120813000000000, 0.0003176900000000 ] - [ 0.0036212400000000, 0.0030918200000000, 0.0008911400000000 ] - [ 0.0006063700000000, -0.0004405400000000, 0.0007295000000000 ] - [ 0.0004043900000000, -0.0005404500000000, 0.0000752800000000 ] - [ -0.0027056800000000, -0.0000630300000000, -0.0001951600000000 ] - [ -0.0192765800000000, -0.0071896200000000, 0.0062162500000000 ] - [ 0.0006776000000000, -0.0002354200000000, 0.0005498000000000 ] - [ -0.0024098600000000, -0.0011102400000000, -0.0000461900000000 ] - [ -0.0039092500000000, 0.0004285300000000, 0.0003971200000000 ] - [ 0.0003902600000000, -0.0000650200000000, -0.0006652300000000 ] - [ -0.0025430400000000, -0.0001063100000000, -0.0001048800000000 ] - [ 0.1168583400000000, -0.0047531000000000, 0.0003507500000000 ] - [ -0.0031737900000000, 0.0005873800000000, -0.0003961400000000 ] - [ -0.0011146700000000, 0.0000868500000000, -0.0000291300000000 ] - [ 0.0003702800000000, -0.0007284300000000, -0.0006252500000000 ] - [ 0.0001687400000000, 0.0005613600000000, 0.0005674600000000 ] - [ -0.0004001200000000, -0.0005641800000000, -0.0002611500000000 ] - [ -0.0007331700000000, 0.0001191800000000, 0.0001709600000000 ] - [ -0.0007008300000000, -0.0003927700000000, 0.0003993500000000 ] - [ -0.0033644800000000, 0.0004378000000000, 0.0002788900000000 ] - [ 0.0011955700000000, 0.0001316400000000, 0.0043966200000000 ] - [ -0.0016735000000000, -0.0000512300000000, -0.0001975100000000 ] - [ -0.0001132200000000, -0.0022896400000000, 0.0004450200000000 ] - [ 0.0026833900000000, -0.0000329100000000, -0.0005984100000000 ] - [ -0.0025202700000000, 0.0013568400000000, 0.0015709800000000 ] - [ -0.0013905600000000, -0.0002259400000000, -0.0000452600000000 ] - [ -0.0066068500000000, -0.0052798500000000, 0.0053008500000000 ] - [ -0.0000713200000000, -0.0020134700000000, -0.0000268300000000 ] - [ -0.0018533000000000, 0.0025330600000000, -0.0031943100000000 ] - [ -0.0004455900000000, 0.0006016100000000, 0.0001108600000000 ] - [ -0.0032525000000000, 0.0011175800000000, -0.0012785300000000 ] - [ 0.0018510900000000, -0.0043440400000000, -0.0071967700000000 ] - [ -0.0004219800000000, -0.0000676100000000, -0.0000472100000000 ] - [ -0.0005251300000000, -0.0000869700000000, -0.0004954600000000 ] - [ -0.0009607400000000, -0.0000078300000000, -0.0000314900000000 ] - [ -0.0005261600000000, -0.0004590100000000, 0.0001599100000000 ] - [ -0.0005272800000000, -0.0002471700000000, 0.0000884800000000 ] - [ -0.0013424200000000, -0.0000469500000000, 0.0003580900000000 ] - [ -0.0001311400000000, 0.0018732100000000, -0.0007782300000000 ] - [ 0.0014765700000000, 0.0004895000000000, -0.0057143900000000 ] - [ -0.0010938100000000, 0.0000749200000000, -0.0004105500000000 ] - [ -0.0009544000000000, -0.0002558700000000, 0.0004117200000000 ] - [ -0.0039419600000000, -0.0006140900000000, -0.0000366200000000 ] - [ -0.0009423900000000, 0.0002974400000000, 0.0000495900000000 ] - [ -0.0001337700000000, -0.0010511400000000, -0.0003196900000000 ] - [ -0.0003950200000000, 0.0004289300000000, 0.0000297800000000 ] - [ 0.0047622300000000, -0.0096001700000000, 0.0006578000000000 ] - [ -0.0006487700000000, -0.0001997400000000, -0.0001493400000000 ] - [ -0.0000400100000000, -0.0003598800000000, 0.0012872400000000 ] - [ 0.0002958300000000, -0.0026934600000000, 0.0030198000000000 ] - [ 0.0014526600000000, 0.0009854100000000, -0.0003078100000000 ] - [ -0.0031800300000000, 0.0136031900000000, -0.0153587800000000 ] - [ -0.0006768200000000, -0.0003935700000000, -0.0010547800000000 ] - [ -0.0004675300000000, 0.0001446200000000, -0.0000345900000000 ] - [ -0.0010423700000000, 0.0001702600000000, -0.0005255900000000 ] - [ -0.0007422100000000, 0.0005259100000000, -0.0001117600000000 ] - [ -0.0013629100000000, -0.0007112600000000, 0.0000051300000000 ] - [ -0.0014110700000000, 0.0004672500000000, 0.0000392100000000 ] - [ 0.0024941500000000, -0.0004451100000000, 0.0008884900000000 ] - [ -0.0060922900000000, -0.0054369600000000, -0.0053435400000000 ] - [ -0.0014474100000000, -0.0003003800000000, 0.0000931600000000 ] - [ -0.0007237300000000, 0.0001546400000000, 0.0001608800000000 ] - [ -0.0050161500000000, 0.0192701300000000, 0.0195445000000000 ] - [ -0.0021436700000000, 0.0010925700000000, -0.0000896100000000 ] - [ -0.0018119800000000, 0.0017030200000000, 0.0031346800000000 ] - [ 0.0001324600000000, -0.0010042800000000, 0.0002168900000000 ] - [ -0.0011638600000000, 0.0000996800000000, 0.0001512000000000 ] - [ -0.0011084900000000, -0.0001289000000000, -0.0000517300000000 ] - [ 0.0001673200000000, 0.0002519100000000, 0.0000528000000000 ] - [ 0.0024114500000000, -0.0027470500000000, -0.0020309200000000 ] - [ -0.0002500900000000, -0.0002050300000000, 0.0000601700000000 ] - [ 0.0000210400000000, -0.0002677800000000, -0.0004089800000000 ] - [ 0.0005929100000000, -0.0001202600000000, 0.0006327700000000 ] - [ 0.0014887700000000, 0.0003481500000000, -0.0001870000000000 ] - [ 0.0012279200000000, 0.0001126100000000, -0.0001299600000000 ] - [ 0.0001844100000000, 0.0002216300000000, -0.0001422000000000 ] - [ -0.0005069100000000, 0.0004762800000000, -0.0002456100000000 ] - [ -0.0003624100000000, 0.0003337400000000, 0.0009867800000000 ] - [ -0.0009431400000000, -0.0008322700000000, -0.0008411100000000 ] - [ -0.0005179200000000, 0.0003178900000000, -0.0000411100000000 ] - [ 0.0009378600000000, -0.0002747700000000, 0.0000182300000000 ] - [ 0.0026398700000000, -0.0022326800000000, 0.0012553300000000 ] - [ -0.0014163500000000, -0.0011090700000000, -0.0009985200000000 ] - [ -0.0007338300000000, -0.0015153900000000, 0.0011789400000000 ] - [ -0.0001204100000000, 0.0007676400000000, 0.0001345400000000 ] - [ 0.0008395100000000, 0.0017042800000000, 0.0009352500000000 ] - [ 0.0004349500000000, 0.0000306200000000, 0.0001141900000000 ] - [ -0.0008414300000000, -0.0002796700000000, 0.0000573100000000 ] - [ 0.0020746100000000, 0.0001678300000000, 0.0003194900000000 ] - [ 0.0013744700000000, 0.0003491200000000, 0.0001013300000000 ] - [ 0.0006593100000000, -0.0001217100000000, 0.0000588500000000 ] - [ 0.0004240400000000, -0.0003454100000000, -0.0004742000000000 ] - [ 0.0007937200000000, -0.0002391500000000, -0.0000948700000000 ] - [ 0.0010721500000000, 0.0000849200000000, 0.0001227100000000 ] - [ -0.0002373300000000, 0.0007435900000000, 0.0004181300000000 ] - [ -0.0004005700000000, 0.0002242900000000, 0.0001608400000000 ] - [ 0.0005584800000000, 0.0008181100000000, 0.0002694900000000 ] - [ 0.0004588900000000, 0.0006321000000000, -0.0005285100000000 ] - [ -0.0028079300000000, -0.0014511100000000, -0.0001137500000000 ] - [ 0.0007881500000000, 0.0003407900000000, -0.0002422200000000 ] - [ -0.0002877700000000, -0.0003381000000000, 0.0003370200000000 ] - [ 0.0006599200000000, 0.0002000700000000, 0.0002017000000000 ] - [ -0.0011763400000000, -0.0010648700000000, -0.0000082700000000 ] - [ 0.0003470500000000, 0.0001864500000000, -0.0008253000000000 ] - [ -0.0009746200000000, 0.0002383100000000, -0.0000501500000000 ] - [ -0.0010569200000000, -0.0000211000000000, -0.0001369500000000 ] - [ -0.0006345100000000, 0.0002563700000000, 0.0001670300000000 ] - [ -0.0004483600000000, 0.0000106300000000, -0.0000036400000000 ] - [ -0.0015778300000000, -0.0000223600000000, 0.0002323200000000 ] - [ -0.0054626100000000, -0.0106477000000000, -0.0054192300000000 ] - [ 0.0010804500000000, 0.0003581700000000, -0.0001609200000000 ] - [ 0.0005977300000000, 0.0011545500000000, -0.0000780400000000 ] - [ 0.0003852900000000, -0.0005233900000000, 0.0002893800000000 ] - [ -0.0249254500000000, 0.0062848800000000, -0.0032119600000000 ] - [ -0.0003749000000000, 0.0001049900000000, -0.0000759200000000 ] - [ -0.0015542500000000, -0.0009461400000000, 0.0004917200000000 ] - [ 0.0000067100000000, 0.0002304900000000, -0.0009820200000000 ] - [ -0.0046520300000000, -0.0106564900000000, 0.0058081500000000 ] - [ -0.0008085600000000, -0.0002740200000000, 0.0000908700000000 ] - [ 0.0013152100000000, -0.0006141000000000, -0.0001046200000000 ] - [ -0.0003351900000000, -0.0002353600000000, -0.0002101300000000 ] - [ -0.0000988900000000, -0.0006363000000000, -0.0002814300000000 ] - [ 0.0032553200000000, 0.0004624000000000, -0.0001129400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007865300000000, 0.0001943600000000, -0.0002241000000000 ] - [ -0.0007825300000000, 0.0002834900000000, -0.0001295900000000 ] - [ -0.0002837300000000, -0.0001511800000000, -0.0002606400000000 ] - [ -0.0002171800000000, -0.0010062600000000, 0.0003585000000000 ] - [ 0.0013320600000000, 0.0007474500000000, -0.0003950800000000 ] - [ -0.0007405800000000, -0.0001383400000000, 0.0018711800000000 ] - [ 0.0003263800000000, -0.0009001900000000, -0.0001768100000000 ] - [ 0.0000570300000000, 0.0011230100000000, -0.0011477000000000 ] - [ 0.0000007500000000, -0.0001351900000000, -0.0006494200000000 ] - [ -0.0000601200000000, -0.0000770300000000, 0.0006352200000000 ] - [ 0.0000042000000000, 0.0000606300000000, -0.0006189900000000 ] - [ -0.0045680200000000, 0.0092300700000000, 0.0008647400000000 ] - [ 0.0000618200000000, 0.0001267500000000, 0.0006397100000000 ] - [ -0.0002334500000000, 0.0004640100000000, 0.0006243400000000 ] - [ -0.0007284300000000, -0.0010184100000000, -0.0003688600000000 ] - [ -0.0006635900000000, -0.0012591000000000, -0.0008146600000000 ] - [ 0.0001854600000000, 0.0000916400000000, 0.0020924700000000 ] - [ 0.0015279700000000, -0.0020286700000000, 0.0005833800000000 ] - [ 0.0001571900000000, 0.0002157200000000, -0.0032350200000000 ] - [ -0.0001138800000000, -0.0001336100000000, 0.0006340500000000 ] - [ 0.0001806600000000, -0.0003824100000000, 0.0006513200000000 ] - [ -0.0000848700000000, 0.0000607300000000, 0.0006443200000000 ] - [ -0.0002630400000000, 0.0001184600000000, -0.0008519200000000 ] - [ -0.0002873200000000, -0.0000434400000000, -0.0004037400000000 ] - [ -0.0004622300000000, 0.0039101300000000, -0.0026368900000000 ] - [ 0.0001853600000000, -0.0038244000000000, -0.0000169500000000 ] - [ 0.0103653900000000, 0.0455031200000000, 0.0147091700000000 ] - [ 0.0003464400000000, 0.0000605300000000, -0.0003336900000000 ] - [ -0.0006862200000000, 0.0001512100000000, -0.0002629100000000 ] - [ -0.0001521400000000, -0.0002955000000000, -0.0001826100000000 ] - [ -0.0015913900000000, -0.0009024000000000, 0.0001968800000000 ] - [ -0.0006379200000000, 0.0032399500000000, 0.0024727400000000 ] - [ -0.0002778900000000, 0.0005350300000000, -0.0000762200000000 ] - [ -0.0000880900000000, 0.0003863600000000, -0.0000462400000000 ] - [ 0.0047411700000000, 0.0439288800000000, -0.0236814200000000 ] - [ -0.0004527300000000, -0.0001605100000000, 0.0000904200000000 ] - [ 0.0009401600000000, -0.0003845900000000, 0.0013749800000000 ] - [ -0.0022335900000000, 0.0002541100000000, 0.0004447400000000 ] - [ -0.0072756000000000, -0.0004836300000000, 0.0005139800000000 ] - [ 0.0005704100000000, -0.0007120800000000, -0.0019295100000000 ] - [ 0.0004205300000000, -0.0018438200000000, 0.0001954300000000 ] - [ -0.0003516500000000, 0.0005206400000000, -0.0004887400000000 ] - [ -0.0003888500000000, -0.0005696200000000, 0.0000915100000000 ] - [ -0.0005627000000000, 0.0047944200000000, -0.0008709600000000 ] - [ -0.0005682400000000, -0.0006765600000000, 0.0002339700000000 ] - [ -0.0008794800000000, 0.0008837700000000, 0.0004098500000000 ] - [ -0.0005568800000000, 0.0060159700000000, 0.0008458300000000 ] - [ -0.0006676000000000, 0.0000943200000000, 0.0001702500000000 ] - [ 0.0003136700000000, -0.0000884500000000, 0.0001782800000000 ] - [ -0.0042112300000000, 0.0005133800000000, 0.0008634400000000 ] - [ -0.0006999300000000, 0.0000520800000000, 0.0002713900000000 ] - [ 0.0048078200000000, -0.0028037800000000, 0.0012576700000000 ] - [ -0.0005500200000000, -0.0042729600000000, -0.0017244900000000 ] - [ -0.0000494200000000, -0.0011307800000000, -0.0009050600000000 ] - [ -0.0002410600000000, -0.0001557600000000, 0.0002165400000000 ] - [ -0.0001680700000000, -0.0004889200000000, -0.0001449800000000 ] - [ 0.0001544200000000, -0.0035642900000000, 0.0010773500000000 ] - [ 0.0039269300000000, -0.0015385800000000, -0.0009281000000000 ] - [ -0.0011513900000000, -0.0003294200000000, -0.0002648000000000 ] - [ 0.0002839200000000, 0.0001775600000000, 0.0001484500000000 ] - [ 0.0016110700000000, 0.0004307200000000, 0.0001098600000000 ] - [ -0.0036941000000000, -0.0102748000000000, 0.0009016900000000 ] - [ -0.0031634000000000, -0.0006656300000000, -0.0003800000000000 ] - [ 0.0010699700000000, -0.0001381200000000, -0.0003760800000000 ] - [ 0.0006698100000000, 0.0002845500000000, 0.0002903000000000 ] - [ 0.0023867000000000, -0.0043884600000000, -0.0033481000000000 ] - [ -0.0212252100000000, 0.0234635600000000, -0.0016974600000000 ] - [ 0.0004814700000000, -0.0011741200000000, -0.0007928800000000 ] - [ 0.0013556200000000, 0.0021734800000000, 0.0002128000000000 ] - [ 0.0017292600000000, -0.0043563800000000, 0.0038027000000000 ] - [ -0.0000678100000000, -0.0007159100000000, 0.0002414000000000 ] - [ -0.0005656400000000, -0.0007249900000000, 0.0009682300000000 ] - [ 0.0045775200000000, -0.1682042300000000, 0.0047247600000000 ] - [ 0.0004745200000000, 0.0000621600000000, -0.0000202200000000 ] - [ 0.0008206100000000, -0.0003197800000000, -0.0002086100000000 ] - [ 0.0007929200000000, -0.0002738000000000, -0.0000044000000000 ] - [ 0.0003920400000000, -0.0015009700000000, 0.0002412500000000 ] - [ 0.0001789500000000, -0.0002473300000000, -0.0000344600000000 ] - [ 0.0005242100000000, 0.0000849100000000, 0.0002008000000000 ] - [ -0.0000052200000000, -0.0005106200000000, -0.0003152400000000 ] - [ 0.0005081700000000, -0.0000339400000000, -0.0000221700000000 ] - [ 0.0005510000000000, -0.0043076200000000, 0.0002901600000000 ] - [ -0.0004596900000000, -0.0002053700000000, -0.0001405000000000 ] - [ 0.0009863000000000, 0.0026286900000000, -0.0003275800000000 ] - [ -0.0005836600000000, -0.0006964000000000, -0.0011301400000000 ] - [ 0.0001919400000000, -0.0012118200000000, -0.0007500000000000 ] - [ 0.0008800800000000, -0.0004241600000000, 0.0000230300000000 ] - [ 0.0039781900000000, -0.0017404200000000, -0.0023228200000000 ] - [ 0.0010560500000000, 0.0025185000000000, 0.0001031900000000 ] - [ -0.0024351800000000, -0.0004472400000000, -0.0038979000000000 ] - [ 0.0001056400000000, 0.0002310400000000, 0.0000719300000000 ] - [ -0.0001172700000000, -0.0007615800000000, 0.0006790100000000 ] - [ -0.0041456800000000, 0.0061177200000000, 0.0112513700000000 ] - [ 0.0009798000000000, -0.0000962600000000, -0.0000481300000000 ] - [ 0.0001608800000000, -0.0003326800000000, 0.0002347600000000 ] - [ -0.0000784700000000, -0.0002207800000000, -0.0000059800000000 ] - [ -0.0001053400000000, -0.0003018900000000, 0.0001598400000000 ] - [ 0.0000423500000000, -0.0006834500000000, 0.0002567500000000 ] - [ -0.0000211500000000, 0.0000540300000000, -0.0001544800000000 ] - [ 0.0001836700000000, -0.0006024500000000, -0.0001649200000000 ] - [ 0.0005487800000000, -0.0049852300000000, -0.0004983700000000 ] - [ -0.0003868100000000, 0.0000300600000000, -0.0001066200000000 ] - [ -0.0004522600000000, -0.0001401800000000, 0.0000322000000000 ] - [ 0.0031804800000000, -0.0003684200000000, 0.0001857300000000 ] - [ 0.0002199700000000, 0.0004593600000000, -0.0000225200000000 ] - [ 0.0002365600000000, 0.0003841900000000, 0.0001903800000000 ] - [ 0.0000325800000000, 0.0003253400000000, 0.0001056300000000 ] - [ 0.0085490500000000, 0.0282862100000000, 0.0000065600000000 ] - [ -0.0001197300000000, -0.0006621700000000, -0.0000798600000000 ] - [ 0.0005986000000000, -0.0002816100000000, 0.0002203600000000 ] - [ -0.0027135000000000, 0.0075080500000000, -0.0101503000000000 ] - [ -0.0006574200000000, -0.0006985100000000, 0.0000188300000000 ] - [ -0.0125715200000000, 0.0003411500000000, -0.0059734400000000 ] - [ 0.0002654900000000, -0.0005543900000000, 0.0001123900000000 ] - [ 0.0002158000000000, 0.0007911400000000, -0.0001973400000000 ] - [ 0.0001460800000000, 0.0003004400000000, 0.0001014800000000 ] - [ -0.0001838600000000, 0.0002134300000000, -0.0003016800000000 ] - [ 0.0008542600000000, -0.0005728500000000, 0.0000895900000000 ] - [ 0.0005031900000000, 0.0010039300000000, 0.0000933200000000 ] - [ -0.0006129800000000, -0.0010039400000000, 0.0008889200000000 ] - [ 0.0056882100000000, -0.0020025300000000, 0.0021632300000000 ] - [ -0.0004937800000000, -0.0003623500000000, 0.0000679300000000 ] - [ 0.0000249300000000, 0.0007504800000000, 0.0001210800000000 ] - [ -0.0135990100000000, -0.0003556900000000, 0.0071248800000000 ] - [ 0.0011589600000000, -0.0004437700000000, 0.0000560900000000 ] - [ -0.0023287100000000, -0.0011452000000000, 0.0036164400000000 ] - [ 0.0004361000000000, 0.0002614200000000, -0.0000538900000000 ] - [ 0.0003712000000000, -0.0006304000000000, 0.0000938300000000 ] - [ 0.0000594200000000, 0.0003888200000000, 0.0000088600000000 ] - [ -0.0003029100000000, 0.0011288600000000, -0.0002687100000000 ] - [ 0.0002651700000000, 0.0033639500000000, 0.0027844300000000 ] - [ 0.0002766100000000, -0.0001580200000000, -0.0000248700000000 ] - [ 0.0001097400000000, -0.0001538200000000, -0.0000807300000000 ] - [ -0.0001364500000000, -0.0013985200000000, -0.0009185600000000 ] - [ 0.0005045400000000, 0.0005270000000000, 0.0002055600000000 ] - [ -0.0004216600000000, 0.0003063400000000, -0.0014247600000000 ] - [ -0.0002847000000000, 0.0006851800000000, 0.0002088800000000 ] - [ 0.0001032400000000, 0.0005272700000000, 0.0000631300000000 ] - [ -0.0024413500000000, -0.0002526700000000, -0.0000322800000000 ] - [ 0.0003805200000000, 0.0004267300000000, 0.0002934800000000 ] - [ 0.0004792800000000, 0.0003215100000000, -0.0000109600000000 ] - [ -0.0014773800000000, 0.0009114500000000, 0.0003126800000000 ] - [ 0.0004431200000000, 0.0025353500000000, -0.0023153200000000 ] - [ 0.0000822400000000, 0.0009824600000000, 0.0008965600000000 ] - [ 0.0006265600000000, 0.0007686200000000, -0.0002949500000000 ] - [ 0.0000621500000000, 0.0007184900000000, -0.0001381000000000 ] - [ -0.0006817400000000, 0.0025058600000000, 0.0001304000000000 ] - [ -0.0019143400000000, 0.0007776300000000, -0.0000645800000000 ] - [ 0.0000995800000000, -0.0003473700000000, -0.0002252400000000 ] - [ 0.0008894300000000, 0.0003225200000000, -0.0001690000000000 ] - [ -0.0002769400000000, 0.0004966800000000, 0.0012353800000000 ] - [ -0.0001937600000000, -0.0002825000000000, -0.0000193300000000 ] - [ -0.0003784800000000, -0.0011058800000000, 0.0007828500000000 ] - [ -0.0007087300000000, 0.0015894100000000, -0.0001022900000000 ] - [ -0.0001622900000000, 0.0017219200000000, -0.0008947200000000 ] - [ -0.0001201000000000, 0.0007238400000000, 0.0000248400000000 ] - [ 0.0002950100000000, 0.0003139900000000, -0.0001438500000000 ] - [ -0.0005677900000000, 0.0007743400000000, 0.0004322200000000 ] - [ -0.0006054400000000, 0.0006247800000000, -0.0006278500000000 ] - [ 0.0044846200000000, 0.0007163400000000, -0.0001729000000000 ] - [ -0.0009326500000000, 0.0001282500000000, 0.0001352900000000 ] - [ 0.0000761400000000, -0.0007507700000000, -0.0004905200000000 ] - [ -0.0000947200000000, 0.0010215100000000, 0.0000862600000000 ] - [ 0.0006972600000000, -0.0000139200000000, 0.0001015300000000 ] - [ -0.0008039500000000, 0.0017271000000000, -0.0004822700000000 ] - [ -0.0003340800000000, 0.0002741500000000, 0.0001709300000000 ] - [ -0.0000905000000000, -0.0001146700000000, 0.0001290000000000 ] - [ 0.0000743500000000, 0.0005047400000000, 0.0000700800000000 ] - [ 0.0010663500000000, 0.0001581400000000, -0.0000197800000000 ] - [ -0.0006283200000000, 0.0001466700000000, -0.0001287000000000 ] - [ 0.0096629200000000, 0.0071371900000000, 0.0030522500000000 ] - [ 0.0001033200000000, 0.0019163100000000, 0.0008185700000000 ] - [ -0.0008736500000000, 0.0020122100000000, 0.0001672800000000 ] - [ -0.0001169700000000, -0.0005209800000000, -0.0000755200000000 ] - [ 0.0103899400000000, -0.0021179200000000, 0.0018881900000000 ] - [ 0.0004841100000000, 0.0001601900000000, -0.0001549500000000 ] - [ 0.0001705900000000, 0.0005384900000000, -0.0007116200000000 ] - [ -0.0024273500000000, -0.0007141600000000, -0.0001605600000000 ] - [ 0.0081934800000000, 0.0048414200000000, -0.0027467800000000 ] - [ 0.0006590000000000, 0.0000337600000000, 0.0001948200000000 ] - [ -0.0005369200000000, 0.0030267800000000, 0.0000222200000000 ] - [ -0.0001506000000000, -0.0001002200000000, 0.0001660300000000 ] - [ 0.0002183900000000, -0.0005579900000000, 0.0003381500000000 ] - [ 0.0000299900000000, 0.0096291300000000, 0.0000611900000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007896400000000, 0.0007675100000000, -0.0002311000000000 ] - [ 0.0007803600000000, 0.0006835500000000, 0.0005827400000000 ] - [ 0.0002807700000000, -0.0008135000000000, -0.0001942300000000 ] - [ 0.0002128600000000, 0.0000407500000000, 0.0001015400000000 ] - [ -0.0013329000000000, 0.0002309200000000, -0.0000623400000000 ] - [ 0.0007388800000000, 0.0010975200000000, -0.0014112000000000 ] - [ -0.0003241400000000, -0.0000634100000000, -0.0002769700000000 ] - [ -0.0000551500000000, -0.0020882300000000, 0.0015914900000000 ] - [ 0.0001932800000000, -0.0000517500000000, -0.0006277900000000 ] - [ 0.0002548200000000, -0.0001110300000000, 0.0006449500000000 ] - [ 0.0001908400000000, 0.0001270700000000, -0.0006581600000000 ] - [ 0.0050283400000000, -0.0100379000000000, 0.0003735900000000 ] - [ 0.0001335000000000, 0.0000598900000000, 0.0006398000000000 ] - [ 0.0000382800000000, -0.0002769100000000, 0.0006525400000000 ] - [ 0.0005303700000000, 0.0012054900000000, -0.0009032600000000 ] - [ 0.0004648400000000, 0.0010704500000000, -0.0004690200000000 ] - [ 0.0000176700000000, -0.0002835400000000, -0.0033695700000000 ] - [ -0.0013059200000000, 0.0018294800000000, 0.0006952600000000 ] - [ 0.0000452600000000, -0.0000315700000000, 0.0019607900000000 ] - [ -0.0000828500000000, -0.0000529300000000, 0.0006432900000000 ] - [ 0.0000171000000000, 0.0005698300000000, 0.0006279700000000 ] - [ -0.0001132200000000, 0.0001271500000000, 0.0006335200000000 ] - [ 0.0000661600000000, 0.0000677700000000, -0.0004291600000000 ] - [ 0.0000893100000000, -0.0001442600000000, -0.0008743100000000 ] - [ 0.0014983600000000, -0.0038864200000000, 0.0026367300000000 ] - [ -0.0005975400000000, 0.0040390000000000, 0.0003598600000000 ] - [ -0.0098711100000000, -0.0433154300000000, -0.0128431800000000 ] - [ 0.0000444300000000, -0.0002938200000000, -0.0000123800000000 ] - [ 0.0001937300000000, -0.0006994300000000, -0.0001541300000000 ] - [ 0.0001485700000000, -0.0005174100000000, 0.0001804600000000 ] - [ 0.0011923600000000, 0.0006737900000000, 0.0001487200000000 ] - [ 0.0006437000000000, -0.0040463000000000, -0.0024716000000000 ] - [ 0.0006680900000000, -0.0003025600000000, -0.0002697800000000 ] - [ -0.0004030000000000, 0.0001613400000000, -0.0003722900000000 ] - [ -0.0055396500000000, -0.0427740300000000, 0.0217136300000000 ] - [ 0.0008461100000000, -0.0000672300000000, 0.0002555300000000 ] - [ -0.0004620800000000, 0.0009281500000000, -0.0017944400000000 ] - [ 0.0017345500000000, 0.0003000300000000, -0.0000282000000000 ] - [ 0.0076720100000000, 0.0010918200000000, -0.0000940100000000 ] - [ -0.0009728100000000, 0.0004732800000000, 0.0015857400000000 ] - [ 0.0000580300000000, 0.0012929300000000, 0.0002204200000000 ] - [ 0.0013701200000000, -0.0005159400000000, 0.0004858400000000 ] - [ 0.0007744000000000, 0.0008013300000000, 0.0002522700000000 ] - [ 0.0010548400000000, -0.0053482300000000, 0.0004478400000000 ] - [ 0.0000823800000000, 0.0001255000000000, 0.0001817400000000 ] - [ 0.0008653700000000, -0.0000659600000000, -0.0004086000000000 ] - [ 0.0001734400000000, -0.0057864700000000, -0.0011914900000000 ] - [ -0.0003672600000000, -0.0000941100000000, -0.0001668400000000 ] - [ 0.0007150100000000, 0.0000865000000000, -0.0001768100000000 ] - [ 0.0037463300000000, -0.0002987000000000, -0.0005090800000000 ] - [ 0.0006935000000000, 0.0007576700000000, -0.0002693400000000 ] - [ -0.0043936500000000, 0.0025881100000000, -0.0016160800000000 ] - [ 0.0000724300000000, 0.0037255800000000, 0.0013116900000000 ] - [ 0.0000546000000000, 0.0003168800000000, 0.0009106000000000 ] - [ -0.0001540700000000, -0.0000769900000000, 0.0001297100000000 ] - [ 0.0001640000000000, -0.0003262500000000, 0.0001430500000000 ] - [ 0.0002537400000000, 0.0038008300000000, -0.0014281500000000 ] - [ -0.0043933500000000, 0.0021255900000000, 0.0005438200000000 ] - [ 0.0001133800000000, 0.0003258500000000, 0.0002635400000000 ] - [ 0.0001180100000000, -0.0004152700000000, 0.0001994000000000 ] - [ -0.0011289800000000, 0.0001227600000000, -0.0005162800000000 ] - [ 0.0032422700000000, 0.0107900100000000, -0.0004912500000000 ] - [ 0.0036539400000000, 0.0011947300000000, 0.0007966700000000 ] - [ -0.0014695900000000, -0.0000882400000000, 0.0000234700000000 ] - [ -0.0001837300000000, -0.0008321100000000, 0.0001249300000000 ] - [ -0.0013518100000000, 0.0043950900000000, 0.0033742100000000 ] - [ 0.0215585900000000, -0.0232503900000000, 0.0020424600000000 ] - [ 0.0000067600000000, 0.0006299800000000, 0.0003755400000000 ] - [ -0.0018375200000000, -0.0027258100000000, 0.0002063000000000 ] - [ -0.0017203400000000, 0.0051761100000000, -0.0038303400000000 ] - [ -0.0003289100000000, 0.0009537400000000, -0.0005862300000000 ] - [ -0.0004602500000000, 0.0007242500000000, -0.0009736800000000 ] - [ -0.0063245100000000, 0.1660938600000000, -0.0046047800000000 ] - [ -0.0004758000000000, 0.0010623400000000, -0.0001243800000000 ] - [ -0.0000629900000000, 0.0003209000000000, 0.0002104900000000 ] - [ -0.0003377300000000, -0.0000334700000000, -0.0000041100000000 ] - [ -0.0000010800000000, 0.0006330400000000, -0.0005518200000000 ] - [ -0.0001223700000000, -0.0006402800000000, -0.0002262300000000 ] - [ 0.0001875800000000, 0.0003067600000000, 0.0000227600000000 ] - [ 0.0000928900000000, -0.0002619600000000, 0.0001317700000000 ] - [ -0.0005110400000000, 0.0006794800000000, 0.0000197700000000 ] - [ -0.0004671200000000, 0.0050761600000000, -0.0004661300000000 ] - [ 0.0004695500000000, -0.0004387200000000, 0.0001386200000000 ] - [ -0.0010239200000000, -0.0017349700000000, 0.0000605800000000 ] - [ 0.0012886800000000, 0.0010838400000000, 0.0009024900000000 ] - [ -0.0008907600000000, 0.0008171500000000, 0.0009696800000000 ] - [ -0.0001640500000000, 0.0000348000000000, -0.0002487200000000 ] - [ -0.0047356200000000, 0.0016979100000000, 0.0023212200000000 ] - [ -0.0006537500000000, -0.0016383800000000, 0.0002094300000000 ] - [ 0.0028296100000000, 0.0013288800000000, 0.0035907000000000 ] - [ -0.0000499900000000, 0.0006517900000000, 0.0001880900000000 ] - [ -0.0014056600000000, 0.0007576200000000, -0.0006726200000000 ] - [ 0.0040114900000000, -0.0068052200000000, -0.0113644200000000 ] - [ 0.0005608700000000, 0.0000969900000000, 0.0000486900000000 ] - [ 0.0003000300000000, 0.0000267300000000, -0.0002226300000000 ] - [ -0.0003771300000000, -0.0000849200000000, -0.0000042800000000 ] - [ -0.0002838500000000, -0.0005738500000000, 0.0001479900000000 ] - [ 0.0000137800000000, -0.0002024200000000, 0.0000045200000000 ] - [ -0.0004313000000000, 0.0002523100000000, 0.0001633600000000 ] - [ -0.0002387100000000, 0.0014913900000000, 0.0004275800000000 ] - [ -0.0000992900000000, 0.0052759000000000, 0.0004838600000000 ] - [ -0.0003210400000000, 0.0003640300000000, -0.0001139000000000 ] - [ -0.0002995400000000, 0.0001462000000000, -0.0000391000000000 ] - [ -0.0031459300000000, -0.0002786200000000, -0.0001805100000000 ] - [ -0.0002212700000000, 0.0001854500000000, 0.0000246700000000 ] - [ -0.0002914900000000, -0.0012672700000000, -0.0004490700000000 ] - [ 0.0000510700000000, 0.0004476800000000, 0.0000756700000000 ] - [ -0.0082459900000000, -0.0283328700000000, 0.0001535700000000 ] - [ -0.0002702000000000, -0.0002127800000000, -0.0002285800000000 ] - [ -0.0013079300000000, 0.0006701100000000, 0.0000062300000000 ] - [ 0.0022329700000000, -0.0077435100000000, 0.0101357000000000 ] - [ 0.0005684500000000, 0.0014671500000000, 0.0001630700000000 ] - [ 0.0140326000000000, -0.0004321100000000, 0.0059935900000000 ] - [ -0.0018028900000000, 0.0005519100000000, -0.0001136400000000 ] - [ -0.0001582000000000, 0.0000909900000000, -0.0000638600000000 ] - [ -0.0002270800000000, 0.0004726600000000, -0.0002808200000000 ] - [ -0.0002059000000000, 0.0006570400000000, -0.0000077000000000 ] - [ -0.0008483300000000, -0.0005519900000000, 0.0000550600000000 ] - [ -0.0004924100000000, 0.0001233200000000, 0.0000505300000000 ] - [ 0.0013594300000000, 0.0010007200000000, -0.0008891500000000 ] - [ -0.0063774300000000, 0.0015681900000000, -0.0023906600000000 ] - [ 0.0005014600000000, -0.0007615500000000, -0.0002125600000000 ] - [ -0.0004130500000000, 0.0001194100000000, 0.0001898400000000 ] - [ 0.0142361800000000, -0.0001512600000000, -0.0069214200000000 ] - [ -0.0006934600000000, 0.0007459800000000, -0.0000661100000000 ] - [ 0.0022769500000000, 0.0002717400000000, -0.0033567400000000 ] - [ -0.0000457200000000, -0.0011341500000000, 0.0003612200000000 ] - [ -0.0004508400000000, -0.0001449000000000, 0.0000879200000000 ] - [ -0.0005126100000000, -0.0000822200000000, -0.0000186800000000 ] - [ 0.0003044900000000, -0.0000036500000000, 0.0001246900000000 ] - [ 0.0004762200000000, -0.0033640700000000, -0.0027884300000000 ] - [ 0.0001827500000000, -0.0001470500000000, 0.0000139700000000 ] - [ 0.0002812100000000, -0.0007264100000000, -0.0002263600000000 ] - [ 0.0001899200000000, 0.0005185500000000, 0.0006545100000000 ] - [ 0.0002001600000000, -0.0001380100000000, 0.0000196400000000 ] - [ 0.0005051800000000, -0.0010759900000000, 0.0012526400000000 ] - [ 0.0002886700000000, -0.0000405800000000, -0.0002118600000000 ] - [ -0.0000188500000000, 0.0002453100000000, -0.0002450000000000 ] - [ 0.0024342500000000, -0.0003964200000000, 0.0000238600000000 ] - [ -0.0004310200000000, 0.0004656100000000, -0.0005498500000000 ] - [ 0.0002331400000000, 0.0000704100000000, -0.0002120400000000 ] - [ 0.0007702000000000, -0.0012988100000000, -0.0000846200000000 ] - [ 0.0002520600000000, -0.0029261200000000, 0.0020955000000000 ] - [ -0.0008334300000000, -0.0009763500000000, -0.0008911900000000 ] - [ -0.0002305000000000, 0.0001148400000000, 0.0005999000000000 ] - [ 0.0003294600000000, 0.0001483500000000, -0.0001731500000000 ] - [ 0.0007324800000000, -0.0016263200000000, 0.0001311800000000 ] - [ 0.0003828900000000, -0.0007756200000000, 0.0000620200000000 ] - [ -0.0001822300000000, -0.0004248600000000, 0.0000445200000000 ] - [ 0.0006443400000000, -0.0003243600000000, 0.0001681500000000 ] - [ 0.0007343100000000, -0.0007998400000000, -0.0012345800000000 ] - [ -0.0002648200000000, -0.0000219300000000, 0.0000079000000000 ] - [ -0.0000142400000000, 0.0002383900000000, -0.0004713800000000 ] - [ 0.0007560400000000, -0.0024739700000000, 0.0003601900000000 ] - [ -0.0003022700000000, -0.0014178800000000, 0.0009122500000000 ] - [ 0.0000655900000000, 0.0001540300000000, 0.0002344800000000 ] - [ 0.0001623200000000, -0.0000090800000000, 0.0001547100000000 ] - [ -0.0001416400000000, -0.0003854300000000, -0.0006599000000000 ] - [ -0.0001468400000000, -0.0006280800000000, 0.0006322700000000 ] - [ -0.0045075400000000, -0.0013578700000000, 0.0001763400000000 ] - [ 0.0009374100000000, 0.0005174600000000, -0.0001326700000000 ] - [ -0.0001310300000000, -0.0001385700000000, 0.0002260800000000 ] - [ 0.0001791700000000, -0.0002489600000000, 0.0000938700000000 ] - [ -0.0006092900000000, -0.0007551700000000, 0.0000800300000000 ] - [ 0.0004114800000000, -0.0026008100000000, 0.0001715900000000 ] - [ -0.0003738800000000, 0.0001200400000000, 0.0000497100000000 ] - [ -0.0003648200000000, -0.0001902200000000, -0.0001192500000000 ] - [ -0.0001565600000000, 0.0002689100000000, 0.0001110900000000 ] - [ 0.0004734500000000, -0.0001565600000000, 0.0000183100000000 ] - [ -0.0009078200000000, -0.0001455900000000, 0.0001293800000000 ] - [ -0.0096813600000000, -0.0062510800000000, -0.0033543100000000 ] - [ -0.0001945600000000, -0.0011455800000000, -0.0010075900000000 ] - [ 0.0004747000000000, -0.0011428900000000, -0.0004711100000000 ] - [ 0.0001079300000000, -0.0006035500000000, 0.0002195100000000 ] - [ -0.0102481200000000, 0.0031853400000000, -0.0017288600000000 ] - [ 0.0002710100000000, -0.0001580400000000, 0.0001528300000000 ] - [ -0.0008773400000000, -0.0009258100000000, 0.0004847600000000 ] - [ 0.0024195000000000, -0.0004138900000000, 0.0000211800000000 ] - [ -0.0086603000000000, -0.0039535800000000, 0.0030799600000000 ] - [ 0.0000541200000000, -0.0004213600000000, 0.0000320800000000 ] - [ 0.0009979400000000, -0.0027143900000000, -0.0000310000000000 ] - [ 0.0000966500000000, -0.0007917600000000, 0.0000975700000000 ] - [ 0.0001729900000000, -0.0003208800000000, -0.0000296600000000 ] - [ -0.0001253900000000, -0.0104889200000000, 0.0001197300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000436600000000, 0.0005431200000000, 0.0010256900000000 ] - [ -0.0012103100000000, -0.0005689600000000, -0.0001487100000000 ] - [ -0.0000945800000000, -0.0004839600000000, -0.0018210600000000 ] - [ 0.0002345500000000, -0.0005076100000000, 0.0002578600000000 ] - [ -0.0003962800000000, 0.0005535500000000, 0.0027590900000000 ] - [ 0.0004549600000000, 0.0007079000000000, -0.0000749800000000 ] - [ -0.0000900800000000, -0.0004412700000000, -0.0015348000000000 ] - [ -0.0019514800000000, -0.0016571900000000, -0.0005232900000000 ] - [ 0.0001137000000000, -0.0001347600000000, -0.0006417500000000 ] - [ 0.0000900600000000, -0.0000840400000000, 0.0008436300000000 ] - [ 0.0000359000000000, 0.0001310900000000, -0.0006286100000000 ] - [ -0.0003967300000000, 0.0004468900000000, 0.0050620200000000 ] - [ 0.0000721300000000, 0.0000970600000000, 0.0004589600000000 ] - [ -0.0000215500000000, 0.0001159200000000, -0.0003601900000000 ] - [ 0.0011492400000000, 0.0015872600000000, -0.0004624100000000 ] - [ -0.0011208400000000, -0.0015885800000000, -0.0006143500000000 ] - [ 0.0014646800000000, 0.0018528700000000, -0.0022645600000000 ] - [ 0.0001373600000000, -0.0000033400000000, 0.0017288700000000 ] - [ -0.0013136700000000, -0.0019909900000000, -0.0020446800000000 ] - [ -0.0001298600000000, -0.0001026500000000, 0.0008349800000000 ] - [ 0.0001701500000000, 0.0000743200000000, -0.0008231600000000 ] - [ -0.0001203600000000, 0.0000876600000000, 0.0004084100000000 ] - [ -0.0001039800000000, 0.0000631900000000, -0.0006160800000000 ] - [ -0.0001323300000000, -0.0000495900000000, -0.0006717300000000 ] - [ -0.0006747100000000, 0.0008690800000000, -0.0178876800000000 ] - [ -0.0002139200000000, 0.0001370900000000, 0.0016336600000000 ] - [ 0.0036785200000000, 0.0047758900000000, 0.0204814900000000 ] - [ 0.0009423300000000, -0.0004542200000000, -0.0003197200000000 ] - [ 0.0019485900000000, -0.0003715500000000, 0.0000918400000000 ] - [ -0.0002006400000000, -0.0004665200000000, -0.0006393200000000 ] - [ 0.0002825500000000, 0.0003585000000000, -0.0038497000000000 ] - [ 0.0015372700000000, -0.0017401000000000, -0.0183307500000000 ] - [ -0.0020488800000000, 0.0004170400000000, 0.0000507200000000 ] - [ -0.0012020300000000, 0.0007850500000000, -0.0003739600000000 ] - [ -0.0003014700000000, -0.0082642300000000, 0.0260805300000000 ] - [ 0.0002281500000000, 0.0000602200000000, -0.0004280200000000 ] - [ -0.0001743100000000, 0.0035374500000000, -0.0007303600000000 ] - [ -0.0002619700000000, 0.0003893800000000, 0.0010031500000000 ] - [ 0.0009892400000000, 0.0006098700000000, 0.0100722700000000 ] - [ 0.0005384400000000, -0.0028406800000000, -0.0008842900000000 ] - [ 0.0002283100000000, -0.0001342200000000, -0.0013042300000000 ] - [ 0.0004169700000000, -0.0001197200000000, 0.0007636800000000 ] - [ 0.0001405000000000, 0.0001205800000000, 0.0005375000000000 ] - [ 0.0083237700000000, -0.0027026800000000, -0.0029508100000000 ] - [ -0.0002482200000000, -0.0002754100000000, -0.0002961100000000 ] - [ 0.0000405000000000, 0.0003707400000000, 0.0006166000000000 ] - [ -0.0085765700000000, 0.0044704300000000, -0.0031200200000000 ] - [ -0.0005676200000000, -0.0000079100000000, -0.0007004900000000 ] - [ 0.0004399300000000, -0.0000339000000000, -0.0004204700000000 ] - [ 0.0003586600000000, 0.0006007100000000, 0.0008877400000000 ] - [ -0.0000591500000000, 0.0003984700000000, 0.0003835000000000 ] - [ -0.0070223700000000, 0.0056505500000000, -0.0044224800000000 ] - [ -0.0006014300000000, 0.0031094000000000, -0.0000017000000000 ] - [ 0.0002114200000000, -0.0004586800000000, -0.0018612200000000 ] - [ -0.0002893000000000, -0.0001214900000000, -0.0002983400000000 ] - [ -0.0001028800000000, -0.0004128500000000, -0.0003770300000000 ] - [ 0.0005969600000000, -0.0029223900000000, 0.0003281400000000 ] - [ 0.0060858300000000, -0.0047598600000000, -0.0047592200000000 ] - [ -0.0006227400000000, -0.0000170300000000, 0.0004086500000000 ] - [ 0.0000890500000000, -0.0000494700000000, -0.0014160700000000 ] - [ 0.0028665600000000, 0.0000022900000000, -0.0006698200000000 ] - [ -0.0007579700000000, -0.0003787900000000, 0.0053605000000000 ] - [ -0.0000701300000000, 0.0005207600000000, 0.0007102100000000 ] - [ -0.0028942000000000, 0.0001970400000000, -0.0004582000000000 ] - [ 0.0001503300000000, -0.0000891200000000, -0.0007119600000000 ] - [ 0.0008280000000000, -0.0004004400000000, 0.0018101200000000 ] - [ 0.0015334600000000, -0.0014144500000000, 0.0258078000000000 ] - [ -0.0008604600000000, 0.0002756900000000, 0.0000084200000000 ] - [ 0.0001236700000000, 0.0000370900000000, -0.0047063100000000 ] - [ 0.0001141200000000, 0.0007455200000000, 0.0019390100000000 ] - [ 0.0005620300000000, -0.0003349500000000, 0.0000415600000000 ] - [ -0.0004315000000000, 0.0000723400000000, -0.0018721800000000 ] - [ -0.0009281900000000, 0.0027001100000000, -0.1304931100000000 ] - [ 0.0037591500000000, 0.0006548800000000, 0.0004588100000000 ] - [ 0.0001746300000000, -0.0004625100000000, -0.0005747800000000 ] - [ -0.0003859200000000, -0.0001417900000000, 0.0090635500000000 ] - [ -0.0004547900000000, 0.0008761700000000, 0.0007545800000000 ] - [ 0.0001303600000000, -0.0003907000000000, 0.0002162600000000 ] - [ 0.0002471100000000, -0.0001122400000000, 0.0005342300000000 ] - [ -0.0003353100000000, -0.0004926800000000, -0.0000664600000000 ] - [ -0.0037174600000000, 0.0003492300000000, 0.0004518400000000 ] - [ -0.0048412000000000, 0.0006292800000000, 0.0187896000000000 ] - [ 0.0011782800000000, -0.0006342500000000, -0.0000131100000000 ] - [ -0.0003756500000000, 0.0000637900000000, -0.0013170600000000 ] - [ 0.0021356400000000, 0.0020409900000000, 0.0033449400000000 ] - [ -0.0006908900000000, -0.0004269900000000, -0.0002407800000000 ] - [ 0.0006341500000000, 0.0001664800000000, -0.0005781700000000 ] - [ -0.0099073400000000, -0.0052701300000000, -0.0006677900000000 ] - [ 0.0004777700000000, 0.0012408300000000, -0.0012200300000000 ] - [ 0.0017123500000000, -0.0021596100000000, -0.0003556300000000 ] - [ 0.0002012900000000, 0.0002046400000000, 0.0004254100000000 ] - [ -0.0004181500000000, 0.0002900300000000, -0.0005282700000000 ] - [ -0.0046497700000000, 0.0073975900000000, 0.0201894300000000 ] - [ 0.0010126600000000, 0.0002124400000000, 0.0003848200000000 ] - [ 0.0007252600000000, 0.0000747300000000, -0.0000473700000000 ] - [ -0.0001995200000000, -0.0001523600000000, 0.0004134200000000 ] - [ -0.0001990400000000, -0.0004424100000000, 0.0003383600000000 ] - [ -0.0001129400000000, -0.0001010600000000, -0.0001618600000000 ] - [ 0.0001257200000000, 0.0003117300000000, 0.0000714300000000 ] - [ 0.0006308600000000, -0.0015675000000000, 0.0012350200000000 ] - [ 0.0059426500000000, 0.0006194200000000, 0.0194680800000000 ] - [ 0.0000268500000000, 0.0006049600000000, 0.0004290700000000 ] - [ -0.0005599100000000, -0.0005578600000000, 0.0006755900000000 ] - [ -0.0001126700000000, -0.0001497700000000, -0.0009761900000000 ] - [ -0.0000114600000000, 0.0003189800000000, 0.0001978100000000 ] - [ 0.0002366100000000, -0.0002756500000000, 0.0010699400000000 ] - [ 0.0000943500000000, 0.0003773400000000, 0.0005419700000000 ] - [ -0.0008962700000000, -0.0010440900000000, -0.0185798300000000 ] - [ -0.0003045000000000, -0.0002901200000000, 0.0001376700000000 ] - [ -0.0028866900000000, -0.0014477900000000, 0.0033081200000000 ] - [ 0.0026577500000000, -0.0102571200000000, 0.0213267700000000 ] - [ -0.0004181500000000, 0.0004769900000000, 0.0073777000000000 ] - [ 0.0217681600000000, -0.0109037500000000, 0.0063518300000000 ] - [ 0.0016530800000000, 0.0012407800000000, 0.0030262400000000 ] - [ 0.0000355400000000, 0.0004550300000000, -0.0003343000000000 ] - [ -0.0003088200000000, 0.0002939800000000, -0.0000940900000000 ] - [ -0.0000330900000000, 0.0000631900000000, -0.0004615800000000 ] - [ -0.0001853900000000, -0.0005094800000000, 0.0006730100000000 ] - [ 0.0000551100000000, 0.0005570800000000, -0.0001284200000000 ] - [ -0.0012193500000000, -0.0024105800000000, 0.0037429100000000 ] - [ 0.0110234500000000, 0.0041270100000000, -0.0000675700000000 ] - [ -0.0010471300000000, -0.0002100000000000, -0.0001109600000000 ] - [ -0.0001282100000000, 0.0004825900000000, -0.0001388700000000 ] - [ -0.0202382900000000, 0.0135350800000000, 0.0078825100000000 ] - [ 0.0001541500000000, 0.0002088700000000, -0.0004846500000000 ] - [ -0.0016597300000000, 0.0016714700000000, 0.0002737100000000 ] - [ -0.0002052000000000, -0.0005362800000000, 0.0011082300000000 ] - [ -0.0000024600000000, -0.0003652500000000, -0.0003676900000000 ] - [ -0.0001792500000000, 0.0001675300000000, -0.0002486000000000 ] - [ -0.0009789200000000, 0.0008755900000000, -0.0000271900000000 ] - [ 0.0002343400000000, -0.0010877400000000, -0.0011885800000000 ] - [ 0.0002940800000000, -0.0001334100000000, 0.0002475900000000 ] - [ 0.0003979700000000, -0.0008764100000000, 0.0002018000000000 ] - [ -0.0002993400000000, -0.0006102600000000, 0.0010797600000000 ] - [ 0.0002407100000000, -0.0007300000000000, 0.0009824600000000 ] - [ -0.0000865100000000, -0.0016717100000000, 0.0000816600000000 ] - [ 0.0013141400000000, 0.0000344300000000, 0.0000417700000000 ] - [ 0.0002733000000000, 0.0002458600000000, -0.0001079100000000 ] - [ -0.0042992400000000, 0.0000652200000000, 0.0003238300000000 ] - [ 0.0000571200000000, 0.0002279500000000, -0.0006018400000000 ] - [ 0.0002890800000000, 0.0004438000000000, 0.0001688000000000 ] - [ -0.0004196300000000, -0.0009989600000000, -0.0006528900000000 ] - [ 0.0003852900000000, 0.0007666800000000, -0.0013449300000000 ] - [ -0.0002217300000000, -0.0003876900000000, -0.0004154700000000 ] - [ 0.0002212400000000, 0.0003279400000000, 0.0000052200000000 ] - [ 0.0001346500000000, 0.0006160200000000, -0.0005443600000000 ] - [ -0.0008063700000000, 0.0036169100000000, 0.0012598200000000 ] - [ -0.0009499900000000, 0.0005689800000000, -0.0006165300000000 ] - [ 0.0001555100000000, -0.0005201800000000, -0.0000766000000000 ] - [ 0.0007543400000000, 0.0006370000000000, 0.0006747600000000 ] - [ 0.0001275200000000, 0.0010808300000000, 0.0001642700000000 ] - [ -0.0002912300000000, -0.0001416100000000, 0.0010099700000000 ] - [ 0.0001421300000000, -0.0000471500000000, 0.0014764100000000 ] - [ 0.0007510000000000, -0.0033421600000000, -0.0005649400000000 ] - [ -0.0001145200000000, 0.0010613900000000, -0.0000564200000000 ] - [ -0.0001966200000000, 0.0009566900000000, 0.0004710700000000 ] - [ 0.0000741600000000, 0.0003023400000000, 0.0000139300000000 ] - [ -0.0004167700000000, 0.0010072800000000, 0.0007267200000000 ] - [ -0.0004942200000000, -0.0010699600000000, 0.0010749500000000 ] - [ 0.0005660000000000, -0.0004117400000000, -0.0006522600000000 ] - [ -0.0000484200000000, 0.0003676000000000, 0.0006183800000000 ] - [ -0.0000454300000000, -0.0004649500000000, 0.0001435900000000 ] - [ -0.0000170400000000, 0.0003869700000000, 0.0012221000000000 ] - [ 0.0001082300000000, -0.0003919600000000, -0.0001766200000000 ] - [ 0.0006103900000000, -0.0039006300000000, 0.0014428200000000 ] - [ -0.0002085300000000, -0.0000323500000000, 0.0003801700000000 ] - [ -0.0003665400000000, -0.0000284400000000, -0.0000140200000000 ] - [ -0.0000057800000000, 0.0004025200000000, 0.0003661500000000 ] - [ 0.0007619200000000, 0.0001441900000000, -0.0002173000000000 ] - [ -0.0008051800000000, 0.0001497600000000, 0.0002522400000000 ] - [ 0.0061758600000000, 0.0053528900000000, -0.0028217400000000 ] - [ -0.0003056900000000, -0.0005874300000000, -0.0001613500000000 ] - [ -0.0007439200000000, 0.0027438800000000, -0.0009220200000000 ] - [ 0.0001182900000000, -0.0005678100000000, 0.0003308900000000 ] - [ -0.0029472400000000, 0.0017291500000000, -0.0009056700000000 ] - [ 0.0005157600000000, -0.0003318200000000, 0.0003644200000000 ] - [ -0.0004066700000000, 0.0000721600000000, -0.0004388600000000 ] - [ 0.0043107500000000, -0.0008080400000000, 0.0003579300000000 ] - [ -0.0055931700000000, -0.0031303900000000, -0.0017559000000000 ] - [ 0.0004713100000000, -0.0004102200000000, -0.0001422300000000 ] - [ 0.0001253300000000, 0.0001855100000000, -0.0009989100000000 ] - [ 0.0001426200000000, -0.0006683700000000, -0.0002340800000000 ] - [ 0.0003665900000000, -0.0003330900000000, 0.0005723300000000 ] - [ -0.0001008100000000, -0.0001747000000000, -0.0017986400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000492300000000, 0.0004240900000000, -0.0014798700000000 ] - [ 0.0011990500000000, 0.0015315800000000, 0.0006052000000000 ] - [ 0.0000832400000000, -0.0004777900000000, 0.0013669300000000 ] - [ -0.0002383600000000, -0.0004650800000000, 0.0001948000000000 ] - [ 0.0004128100000000, 0.0004286400000000, -0.0032208900000000 ] - [ -0.0004650900000000, 0.0002486200000000, 0.0005565800000000 ] - [ 0.0000954000000000, -0.0005304400000000, 0.0010846500000000 ] - [ 0.0019573800000000, 0.0007114600000000, 0.0009469800000000 ] - [ 0.0000806900000000, -0.0000518400000000, -0.0006354500000000 ] - [ 0.0001034500000000, -0.0001030800000000, 0.0004369800000000 ] - [ 0.0001603700000000, 0.0000554300000000, -0.0006501600000000 ] - [ 0.0002065700000000, -0.0006433400000000, -0.0037711800000000 ] - [ 0.0001242400000000, 0.0000895200000000, 0.0008213800000000 ] - [ -0.0001789100000000, 0.0000794900000000, 0.0016377000000000 ] - [ -0.0013528300000000, -0.0014147800000000, -0.0008185800000000 ] - [ 0.0009197000000000, 0.0013896700000000, -0.0006646300000000 ] - [ -0.0012483500000000, -0.0020263900000000, 0.0010131600000000 ] - [ 0.0000613000000000, -0.0001899300000000, -0.0004516300000000 ] - [ 0.0015315300000000, 0.0021949700000000, 0.0007422700000000 ] - [ -0.0000681700000000, -0.0000838200000000, 0.0004426000000000 ] - [ 0.0000324500000000, 0.0001035200000000, 0.0021062800000000 ] - [ -0.0000783500000000, 0.0000987000000000, 0.0008703500000000 ] - [ -0.0000972900000000, 0.0001233000000000, -0.0006682500000000 ] - [ -0.0000685800000000, -0.0001363900000000, -0.0006037700000000 ] - [ 0.0016910500000000, -0.0008828900000000, 0.0178348100000000 ] - [ -0.0001728600000000, 0.0000566600000000, -0.0012873300000000 ] - [ -0.0032471700000000, -0.0021019300000000, -0.0190759900000000 ] - [ -0.0005537800000000, 0.0002385400000000, -0.0000294300000000 ] - [ -0.0024474000000000, -0.0001894100000000, -0.0005199600000000 ] - [ 0.0001945800000000, -0.0003462200000000, 0.0006340200000000 ] - [ -0.0007099700000000, -0.0006079900000000, 0.0041981300000000 ] - [ -0.0015422000000000, 0.0009203800000000, 0.0184263700000000 ] - [ 0.0024252600000000, -0.0001933100000000, -0.0003911800000000 ] - [ 0.0007165700000000, -0.0002196300000000, -0.0000450700000000 ] - [ -0.0004343500000000, 0.0104932100000000, -0.0279450300000000 ] - [ 0.0001484400000000, -0.0002825100000000, 0.0007727500000000 ] - [ 0.0006566800000000, -0.0029678500000000, 0.0003284900000000 ] - [ -0.0002370500000000, 0.0001730900000000, -0.0005809400000000 ] - [ -0.0005217300000000, -0.0000735900000000, -0.0096374600000000 ] - [ -0.0009303500000000, 0.0026269500000000, 0.0005177000000000 ] - [ 0.0002502700000000, -0.0004524800000000, 0.0017249800000000 ] - [ 0.0005816700000000, 0.0001287100000000, -0.0007759600000000 ] - [ 0.0002472200000000, 0.0000946700000000, -0.0001914700000000 ] - [ -0.0079171200000000, 0.0021838400000000, 0.0024882500000000 ] - [ -0.0002392200000000, -0.0002920500000000, 0.0007180300000000 ] - [ -0.0000627600000000, 0.0004517100000000, -0.0006066600000000 ] - [ 0.0081252400000000, -0.0041881800000000, 0.0028162600000000 ] - [ -0.0004612600000000, 0.0000088900000000, 0.0007065500000000 ] - [ 0.0005738800000000, 0.0000325100000000, 0.0004259600000000 ] - [ -0.0008694500000000, -0.0003926000000000, -0.0005263300000000 ] - [ 0.0000446400000000, 0.0004111800000000, -0.0003771600000000 ] - [ 0.0074891100000000, -0.0059132800000000, 0.0040816500000000 ] - [ 0.0001204700000000, -0.0037203300000000, -0.0004429900000000 ] - [ -0.0002058800000000, -0.0003598400000000, 0.0018510400000000 ] - [ -0.0001039900000000, -0.0001002600000000, 0.0006458000000000 ] - [ 0.0000964200000000, -0.0004032600000000, 0.0003724000000000 ] - [ -0.0001993600000000, 0.0031119000000000, -0.0006598000000000 ] - [ -0.0065138100000000, 0.0053209100000000, 0.0043601300000000 ] - [ -0.0004104800000000, 0.0000122100000000, -0.0004154600000000 ] - [ 0.0003127700000000, -0.0001620500000000, 0.0017632400000000 ] - [ -0.0023761700000000, 0.0005649300000000, 0.0002607000000000 ] - [ 0.0002607200000000, 0.0007871400000000, -0.0049297300000000 ] - [ 0.0005096700000000, 0.0000134700000000, -0.0002973400000000 ] - [ 0.0025186600000000, -0.0004142300000000, 0.0001041400000000 ] - [ 0.0003399100000000, -0.0004666200000000, 0.0011394400000000 ] - [ 0.0002168900000000, 0.0003709200000000, -0.0018487800000000 ] - [ -0.0015740200000000, 0.0017750600000000, -0.0255566400000000 ] - [ 0.0013453300000000, -0.0008516400000000, -0.0004417300000000 ] - [ -0.0005639400000000, -0.0005618100000000, 0.0051362900000000 ] - [ -0.0000857800000000, 0.0000360200000000, -0.0019000000000000 ] - [ -0.0009588400000000, 0.0005485200000000, -0.0003814300000000 ] - [ -0.0005808400000000, -0.0000756200000000, 0.0018862400000000 ] - [ 0.0002459900000000, -0.0066305100000000, 0.1310003600000000 ] - [ -0.0037378000000000, 0.0004672800000000, -0.0006055800000000 ] - [ 0.0005846000000000, 0.0004638300000000, 0.0005779300000000 ] - [ 0.0008608400000000, -0.0001469800000000, -0.0090832000000000 ] - [ 0.0008545800000000, -0.0017672900000000, -0.0010557500000000 ] - [ -0.0000722200000000, -0.0004896800000000, -0.0004723400000000 ] - [ 0.0004706100000000, 0.0005026900000000, -0.0003084700000000 ] - [ 0.0004236800000000, -0.0002863900000000, -0.0001226000000000 ] - [ 0.0037426500000000, 0.0002948800000000, -0.0004533700000000 ] - [ 0.0050215000000000, 0.0000877900000000, -0.0192763900000000 ] - [ -0.0011720300000000, -0.0000123800000000, 0.0000092500000000 ] - [ 0.0003213300000000, 0.0008364000000000, 0.0010604800000000 ] - [ -0.0014629700000000, -0.0016610300000000, -0.0035819600000000 ] - [ -0.0000037100000000, 0.0000185100000000, 0.0004496500000000 ] - [ 0.0000890500000000, -0.0005556900000000, 0.0003504600000000 ] - [ 0.0092229200000000, 0.0052726200000000, 0.0006867500000000 ] - [ -0.0000857900000000, -0.0003479000000000, 0.0015243200000000 ] - [ -0.0013383600000000, 0.0030191800000000, 0.0000034700000000 ] - [ -0.0001441400000000, 0.0006727600000000, -0.0001708700000000 ] - [ -0.0011039100000000, -0.0003041300000000, 0.0005433200000000 ] - [ 0.0045177000000000, -0.0081312800000000, -0.0202259200000000 ] - [ 0.0005372300000000, -0.0002125300000000, -0.0003856000000000 ] - [ -0.0002642200000000, -0.0003885500000000, 0.0000632100000000 ] - [ -0.0002546900000000, -0.0001599800000000, -0.0004236200000000 ] - [ -0.0001897700000000, -0.0004302200000000, -0.0000295000000000 ] - [ 0.0001695500000000, -0.0007859100000000, 0.0004216500000000 ] - [ -0.0005764300000000, -0.0000002100000000, -0.0000666200000000 ] - [ -0.0006780500000000, 0.0024330400000000, -0.0009839400000000 ] - [ -0.0053937200000000, -0.0003563700000000, -0.0191518700000000 ] - [ -0.0007375000000000, -0.0002131200000000, -0.0006503500000000 ] - [ -0.0001897200000000, 0.0005617200000000, -0.0006819300000000 ] - [ 0.0001381500000000, -0.0004940300000000, 0.0009766100000000 ] - [ 0.0000182000000000, 0.0003292200000000, -0.0001956900000000 ] - [ -0.0002873900000000, -0.0005889100000000, -0.0013270100000000 ] - [ -0.0000098100000000, 0.0004004400000000, -0.0003594600000000 ] - [ 0.0009570000000000, 0.0001675400000000, 0.0187761100000000 ] - [ -0.0000840900000000, -0.0005889300000000, -0.0004440100000000 ] - [ 0.0022118200000000, 0.0018433800000000, -0.0030865400000000 ] - [ -0.0031791100000000, 0.0100246300000000, -0.0215422200000000 ] - [ 0.0003158900000000, 0.0002831400000000, -0.0072029100000000 ] - [ -0.0205175300000000, 0.0109512100000000, -0.0062800600000000 ] - [ -0.0031612000000000, -0.0012377900000000, -0.0030233000000000 ] - [ 0.0000218100000000, 0.0004284200000000, 0.0000774000000000 ] - [ 0.0002300000000000, 0.0004841500000000, -0.0000829000000000 ] - [ -0.0003564400000000, 0.0008056100000000, 0.0001506400000000 ] - [ 0.0002094600000000, -0.0006143900000000, -0.0005282200000000 ] - [ -0.0000541400000000, 0.0005703200000000, 0.0002737200000000 ] - [ 0.0019414500000000, 0.0024043600000000, -0.0037424400000000 ] - [ -0.0116344700000000, -0.0045160500000000, -0.0001757100000000 ] - [ 0.0010507200000000, -0.0009151700000000, -0.0000322200000000 ] - [ -0.0002594300000000, 0.0003930800000000, 0.0004463900000000 ] - [ 0.0207406500000000, -0.0138928500000000, -0.0077561000000000 ] - [ 0.0003242100000000, 0.0000925200000000, 0.0004760800000000 ] - [ 0.0015917200000000, -0.0025651400000000, 0.0000242300000000 ] - [ 0.0006001600000000, -0.0003210700000000, -0.0007984500000000 ] - [ -0.0000763200000000, -0.0004165900000000, 0.0005508400000000 ] - [ -0.0002744300000000, 0.0001462100000000, 0.0002396200000000 ] - [ 0.0009800400000000, 0.0002558000000000, -0.0001207100000000 ] - [ 0.0005067600000000, 0.0011313600000000, 0.0012225700000000 ] - [ 0.0001668000000000, -0.0001776300000000, -0.0002582000000000 ] - [ -0.0000074900000000, 0.0000013600000000, -0.0005078600000000 ] - [ 0.0003473800000000, -0.0002846300000000, -0.0013482500000000 ] - [ 0.0004689300000000, 0.0011215700000000, -0.0007538400000000 ] - [ 0.0001631700000000, 0.0008932700000000, -0.0002800700000000 ] - [ -0.0013151300000000, 0.0006160200000000, -0.0000412000000000 ] - [ -0.0001869900000000, 0.0005338600000000, -0.0000719700000000 ] - [ 0.0042719100000000, -0.0007150200000000, -0.0003302100000000 ] - [ -0.0001023400000000, 0.0006616400000000, 0.0003548200000000 ] - [ 0.0004270500000000, -0.0000510500000000, -0.0003911700000000 ] - [ -0.0003054800000000, 0.0006113000000000, 0.0008735400000000 ] - [ 0.0003175600000000, -0.0011255300000000, 0.0010964500000000 ] - [ -0.0005211600000000, 0.0004054600000000, 0.0004315900000000 ] - [ 0.0001809500000000, 0.0005624700000000, 0.0002923600000000 ] - [ 0.0002554900000000, 0.0002577900000000, 0.0002352500000000 ] - [ 0.0008555200000000, -0.0027216300000000, -0.0010085600000000 ] - [ -0.0006049200000000, -0.0005665600000000, 0.0006196900000000 ] - [ -0.0002367800000000, -0.0002580100000000, -0.0001090600000000 ] - [ 0.0007836000000000, -0.0006382900000000, -0.0006808000000000 ] - [ 0.0003244100000000, -0.0013949000000000, -0.0001411000000000 ] - [ -0.0001686200000000, -0.0001740100000000, -0.0010212500000000 ] - [ -0.0005414400000000, -0.0008370500000000, -0.0011616400000000 ] - [ -0.0007045300000000, 0.0024965600000000, 0.0008282200000000 ] - [ -0.0003488300000000, -0.0007401600000000, 0.0000547700000000 ] - [ 0.0001420200000000, -0.0000755100000000, -0.0002174900000000 ] - [ 0.0003865600000000, 0.0000095900000000, -0.0000072700000000 ] - [ -0.0002989700000000, -0.0006116800000000, -0.0009466800000000 ] - [ -0.0002603300000000, 0.0010741400000000, -0.0010802300000000 ] - [ -0.0005252600000000, -0.0002209900000000, 0.0006524700000000 ] - [ 0.0000316200000000, 0.0002765400000000, -0.0006148400000000 ] - [ -0.0000077600000000, -0.0004247500000000, -0.0004085800000000 ] - [ 0.0000989500000000, 0.0003984900000000, -0.0010410300000000 ] - [ -0.0000107200000000, -0.0003789800000000, 0.0003600200000000 ] - [ -0.0010084800000000, 0.0030606000000000, -0.0017549000000000 ] - [ -0.0005012100000000, 0.0004255500000000, -0.0001562500000000 ] - [ -0.0000879200000000, -0.0002826500000000, 0.0000263100000000 ] - [ -0.0000757400000000, 0.0003777700000000, -0.0001838200000000 ] - [ 0.0007870100000000, -0.0001434000000000, 0.0002175600000000 ] - [ -0.0007326900000000, -0.0001480400000000, -0.0002545300000000 ] - [ -0.0060768000000000, -0.0043937100000000, 0.0026090000000000 ] - [ 0.0002180900000000, 0.0013769500000000, -0.0000092500000000 ] - [ 0.0003477000000000, -0.0018511500000000, 0.0006115200000000 ] - [ -0.0001281400000000, -0.0005584100000000, -0.0001884100000000 ] - [ 0.0032057500000000, -0.0006781000000000, 0.0011047800000000 ] - [ 0.0002385500000000, 0.0003344600000000, -0.0003675200000000 ] - [ -0.0002954600000000, -0.0004513500000000, 0.0002045000000000 ] - [ -0.0043529900000000, -0.0003217600000000, -0.0005009700000000 ] - [ 0.0052159000000000, 0.0040550800000000, 0.0020228200000000 ] - [ 0.0002469500000000, 0.0000208100000000, 0.0003670100000000 ] - [ 0.0003243300000000, 0.0001385200000000, 0.0009903900000000 ] - [ -0.0001984200000000, -0.0002138700000000, 0.0004939700000000 ] - [ 0.0000250700000000, -0.0005459300000000, -0.0002605800000000 ] - [ 0.0000053000000000, -0.0005340100000000, 0.0019823400000000 ]- atom: 74 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0085875700000000, 0.0004702200000000, -0.0002204100000000 ] - [ 0.0104022600000000, 0.0005798400000000, 0.0002246800000000 ] - [ 0.0115609300000000, -0.0005082000000000, -0.0001170300000000 ] - [ 0.0025994300000000, -0.0004792800000000, 0.0002305600000000 ] - [ -0.0027929600000000, 0.0004813900000000, -0.0002261600000000 ] - [ -0.0025111900000000, 0.0004826400000000, 0.0002260000000000 ] - [ -0.0019978400000000, -0.0004821100000000, -0.0002279500000000 ] - [ -0.0021976700000000, -0.0004825500000000, 0.0002290000000000 ] - [ 0.0004308400000000, -0.0010542900000000, -0.0007224400000000 ] - [ -0.0015003600000000, 0.0004450400000000, 0.0040623000000000 ] - [ 0.0001501500000000, -0.0001585600000000, -0.0005626500000000 ] - [ -0.0016883600000000, -0.0006357300000000, -0.0027617300000000 ] - [ -0.0009315200000000, 0.0006187900000000, -0.0019907300000000 ] - [ -0.0011315600000000, -0.0004356700000000, 0.0032614000000000 ] - [ -0.0000507300000000, 0.0003469800000000, -0.0007134900000000 ] - [ 0.0002206300000000, 0.0008701500000000, -0.0005573100000000 ] - [ -0.0023195000000000, -0.0019866500000000, -0.0004703000000000 ] - [ -0.0005766500000000, 0.0004380800000000, 0.0004815400000000 ] - [ -0.0002717600000000, -0.0001487800000000, -0.0006884400000000 ] - [ -0.0007721200000000, -0.0006257900000000, 0.0007977800000000 ] - [ -0.0005179500000000, 0.0005918100000000, 0.0008218500000000 ] - [ -0.0007134600000000, -0.0004025300000000, 0.0004561000000000 ] - [ -0.0004668700000000, 0.0003358800000000, -0.0005884600000000 ] - [ -0.0025266800000000, 0.0018067000000000, -0.0008109600000000 ] - [ -0.0093340300000000, 0.0072269900000000, 0.0111568000000000 ] - [ 0.0043050900000000, 0.0005809500000000, -0.0019743300000000 ] - [ -0.0131792500000000, 0.0074355400000000, -0.0097526900000000 ] - [ 0.0033814500000000, 0.0010031100000000, -0.0004374800000000 ] - [ 0.0048129700000000, 0.0005831500000000, 0.0010577800000000 ] - [ -0.0009380800000000, -0.0005013200000000, -0.0036210600000000 ] - [ 0.0068508400000000, 0.0048577700000000, 0.0049483400000000 ] - [ -0.0009613900000000, -0.0003136300000000, 0.0036237300000000 ] - [ 0.0675050300000000, -0.0088068400000000, -0.0040893900000000 ] - [ 0.0119774700000000, 0.0277395500000000, 0.0000011200000000 ] - [ -0.0021636400000000, 0.0000072800000000, -0.0040409800000000 ] - [ 0.0073126600000000, -0.0050865000000000, -0.0045759200000000 ] - [ 0.0124221000000000, -0.0270971600000000, -0.0005134200000000 ] - [ 0.0091049500000000, -0.0077892500000000, 0.0084610200000000 ] - [ 0.0095156000000000, 0.0083114100000000, -0.0080378300000000 ] - [ 0.0029805800000000, -0.0012574200000000, 0.0001094900000000 ] - [ 0.0052596700000000, -0.0011205700000000, 0.0031504300000000 ] - [ -0.0011229200000000, -0.0000064900000000, 0.0040617900000000 ] - [ 0.0047121100000000, -0.0003009700000000, 0.0023142000000000 ] - [ 0.0052717800000000, -0.0011339400000000, -0.0014522500000000 ] - [ 0.0047940600000000, 0.0006286100000000, -0.0027368600000000 ] - [ -0.0131837300000000, -0.0066751000000000, 0.0098027500000000 ] - [ 0.0599755000000000, 0.0077055500000000, 0.0031598300000000 ] - [ -0.0102913900000000, -0.0072716900000000, -0.0112250100000000 ] - [ -0.0022573300000000, 0.0018318200000000, -0.0021843200000000 ] - [ -0.0071396800000000, 0.0023192300000000, 0.0026494400000000 ] - [ -0.0031333100000000, 0.0027993300000000, 0.0020506200000000 ] - [ -0.0038690400000000, 0.0010619500000000, 0.0000730100000000 ] - [ -0.0033069600000000, -0.0001433800000000, -0.0005565000000000 ] - [ -0.0006348000000000, -0.0005260400000000, 0.0011690000000000 ] - [ -0.0038655400000000, 0.0006412400000000, -0.0003124800000000 ] - [ -0.0006241100000000, -0.0002898900000000, -0.0011751800000000 ] - [ -0.0038518200000000, 0.0007319800000000, 0.0001076100000000 ] - [ -0.0086669800000000, 0.0033435000000000, -0.0004501600000000 ] - [ -0.0007249800000000, 0.0002824000000000, 0.0015265800000000 ] - [ -0.0034712400000000, -0.0008723400000000, 0.0006549200000000 ] - [ -0.0081846800000000, -0.0027948200000000, 0.0000253500000000 ] - [ -0.0043768600000000, -0.0006867200000000, -0.0001692900000000 ] - [ -0.0038902000000000, 0.0012384700000000, 0.0005930700000000 ] - [ -0.0042634300000000, -0.0012918900000000, -0.0004168000000000 ] - [ -0.0065321400000000, 0.0013116900000000, -0.0021601000000000 ] - [ 0.0002978600000000, -0.0002801400000000, -0.0015147000000000 ] - [ -0.0067378500000000, -0.0020876200000000, -0.0022958200000000 ] - [ -0.0028176900000000, -0.0004014700000000, 0.0001428700000000 ] - [ -0.0070199100000000, -0.0018666700000000, 0.0025722100000000 ] - [ -0.0031225200000000, -0.0019676800000000, -0.0020383100000000 ] - [ -0.0042482800000000, -0.0004978300000000, -0.0004555500000000 ] - [ -0.0032830500000000, -0.0018218300000000, 0.0021687700000000 ] - [ 0.0029285600000000, 0.0006300000000000, 0.0037361400000000 ] - [ -0.2476825800000000, 0.0020320200000000, 0.0005547900000000 ] - [ -0.0007211700000000, -0.0007993400000000, -0.0021331100000000 ] - [ 0.0002473500000000, -0.0025710000000000, -0.0043326800000000 ] - [ -0.0009144100000000, -0.0001722200000000, -0.0009267800000000 ] - [ -0.0013979700000000, 0.0007136400000000, 0.0001479700000000 ] - [ -0.0010614400000000, -0.0001469300000000, 0.0011479400000000 ] - [ 0.0031196000000000, 0.0030445800000000, 0.0001576600000000 ] - [ -0.0059863200000000, 0.0003220200000000, -0.0000154900000000 ] - [ -0.0006827400000000, 0.0010835600000000, -0.0000191600000000 ] - [ -0.0241486500000000, -0.0003110800000000, 0.0000101100000000 ] - [ -0.0008444700000000, -0.0017428700000000, 0.0010931900000000 ] - [ 0.0023620600000000, -0.0001613500000000, -0.0008071300000000 ] - [ 0.0062704400000000, -0.0001180700000000, -0.0009951300000000 ] - [ 0.0145469900000000, 0.0179118600000000, -0.0178778300000000 ] - [ -0.0014588900000000, 0.0007949800000000, 0.0021261300000000 ] - [ -0.0012227300000000, -0.0015751300000000, 0.0004278900000000 ] - [ 0.0015114900000000, 0.0280850300000000, 0.0128230800000000 ] - [ 0.0044365600000000, -0.0239223500000000, 0.0111141000000000 ] - [ 0.0016164300000000, 0.0002620700000000, -0.0007255200000000 ] - [ 0.0030381400000000, -0.0038005300000000, -0.0003257900000000 ] - [ 0.0132286200000000, 0.0117316800000000, 0.0138665500000000 ] - [ 0.0015769600000000, 0.0006992700000000, -0.0001963200000000 ] - [ -0.0002249800000000, 0.0022754900000000, 0.0043326400000000 ] - [ -0.0009410900000000, 0.0010777900000000, 0.0011566800000000 ] - [ -0.0010251300000000, -0.0010190300000000, -0.0012363200000000 ] - [ 0.0245935100000000, 0.0105252900000000, 0.0031023700000000 ] - [ 0.0044948500000000, 0.0246644600000000, -0.0106931200000000 ] - [ 0.0247673000000000, -0.0101152500000000, -0.0030553700000000 ] - [ 0.0016454700000000, 0.0005527400000000, 0.0005831500000000 ] - [ 0.0046990700000000, 0.0004718500000000, 0.0012127100000000 ] - [ -0.0117555200000000, -0.0003341400000000, 0.0000226200000000 ] - [ -0.0066880900000000, 0.0003195900000000, 0.0000005400000000 ] - [ -0.0014200800000000, -0.0016281500000000, -0.0004496800000000 ] - [ 0.0025427800000000, -0.0001192500000000, 0.0041007300000000 ] - [ 0.0004508500000000, -0.0025777900000000, 0.0047070700000000 ] - [ -0.0013308700000000, -0.0006785200000000, 0.0005916500000000 ] - [ -0.0017475900000000, 0.0005383600000000, -0.0009339800000000 ] - [ 0.0011241600000000, -0.0010040100000000, 0.0002004000000000 ] - [ 0.0024626000000000, 0.0008951800000000, -0.0039100400000000 ] - [ 0.0031563500000000, -0.0002594700000000, 0.0007214700000000 ] - [ 0.0117520400000000, -0.0116437500000000, -0.0137642800000000 ] - [ -0.0007929400000000, 0.0026297900000000, -0.0013559400000000 ] - [ -0.0007759700000000, -0.0003128600000000, -0.0001689800000000 ] - [ 0.0009755100000000, -0.0275775200000000, -0.0133578900000000 ] - [ -0.0085394500000000, -0.0005820300000000, 0.0000505200000000 ] - [ -0.0061705400000000, 0.0005578400000000, 0.0000728500000000 ] - [ 0.0054616800000000, -0.0004721400000000, -0.0012077500000000 ] - [ 0.0138516300000000, -0.0181274900000000, 0.0174870800000000 ] - [ -0.0041617300000000, -0.0005611100000000, -0.0000753900000000 ] - [ -0.0016455700000000, 0.0024271400000000, -0.0000744400000000 ] - [ 0.0069709600000000, -0.0002672700000000, 0.0012180900000000 ] - [ 0.0033880700000000, -0.0003203300000000, -0.0037618900000000 ] - [ -0.0010769500000000, 0.0001453000000000, 0.0014799600000000 ] - [ -0.0005467200000000, -0.0019622400000000, -0.0008532600000000 ] - [ 0.0003619000000000, 0.0018174100000000, -0.0045452300000000 ] - [ -0.0003941500000000, -0.0001545500000000, -0.0009892800000000 ] - [ 0.0045559300000000, 0.0005622200000000, -0.0000718800000000 ] - [ 0.0012629500000000, 0.0003476900000000, 0.0004209900000000 ] - [ 0.0016687100000000, -0.0006500700000000, 0.0010476500000000 ] - [ 0.0009629700000000, 0.0000440600000000, -0.0001108800000000 ] - [ 0.0014630100000000, 0.0002883900000000, -0.0008504700000000 ] - [ 0.0014120500000000, 0.0004378200000000, -0.0001542700000000 ] - [ 0.0023245600000000, 0.0037681500000000, -0.0004415900000000 ] - [ 0.0036015400000000, 0.0003220600000000, -0.0000012600000000 ] - [ 0.0007974900000000, 0.0002620900000000, -0.0001289200000000 ] - [ 0.0082785700000000, -0.0003229000000000, -0.0000003600000000 ] - [ 0.0009875500000000, -0.0003675600000000, -0.0005911800000000 ] - [ -0.0002115900000000, 0.0003898500000000, 0.0005254200000000 ] - [ -0.0001910100000000, 0.0040482400000000, 0.0028788000000000 ] - [ 0.0021556800000000, -0.0000659500000000, 0.0000477700000000 ] - [ 0.0005089300000000, -0.0003523800000000, -0.0004260900000000 ] - [ 0.0016868500000000, -0.0005572300000000, -0.0004567200000000 ] - [ 0.0013741200000000, 0.0012793900000000, -0.0002724700000000 ] - [ 0.0011692000000000, -0.0005825900000000, -0.0000909900000000 ] - [ -0.0017610400000000, -0.0003719500000000, 0.0004591600000000 ] - [ 0.0022548500000000, -0.0045563100000000, 0.0002715900000000 ] - [ 0.0027496600000000, 0.0000217900000000, -0.0002089300000000 ] - [ -0.0001471100000000, -0.0002630400000000, 0.0001278600000000 ] - [ 0.0012136200000000, 0.0003447300000000, -0.0010523400000000 ] - [ 0.0007146100000000, -0.0000265300000000, -0.0001743100000000 ] - [ 0.0008890800000000, -0.0008606600000000, 0.0002309400000000 ] - [ 0.0011738900000000, 0.0006479600000000, -0.0000484100000000 ] - [ 0.0011146200000000, 0.0014684900000000, 0.0003558000000000 ] - [ 0.0016298200000000, -0.0003479600000000, 0.0000618200000000 ] - [ -0.0009129000000000, -0.0000002000000000, -0.0007505700000000 ] - [ 0.0001464900000000, 0.0053187000000000, -0.0038789100000000 ] - [ 0.0047412600000000, -0.0003227000000000, 0.0000007300000000 ] - [ 0.0066213700000000, 0.0003233400000000, 0.0000010100000000 ] - [ 0.0014104900000000, -0.0011731600000000, 0.0005932500000000 ] - [ -0.0001670800000000, 0.0006001700000000, -0.0009032700000000 ] - [ 0.0015779700000000, -0.0012754500000000, -0.0012107900000000 ] - [ 0.0005726300000000, -0.0009180000000000, -0.0001984800000000 ] - [ 0.0006994700000000, -0.0000477200000000, 0.0003789100000000 ] - [ -0.0006109900000000, -0.0000380600000000, -0.0001213900000000 ] - [ -0.0002577000000000, 0.0001648500000000, 0.0010910600000000 ] - [ -0.0002291800000000, 0.0003695800000000, -0.0004646600000000 ] - [ 0.0012125800000000, -0.0000220500000000, 0.0002111100000000 ] - [ 0.0010413500000000, 0.0012517400000000, 0.0003269200000000 ] - [ 0.0007156300000000, 0.0005089700000000, -0.0000550000000000 ] - [ 0.0009828500000000, -0.0004057600000000, -0.0000368000000000 ] - [ 0.0040282800000000, -0.0005624100000000, 0.0000729400000000 ] - [ 0.0065465800000000, 0.0005632300000000, 0.0000717600000000 ] - [ 0.0009034300000000, -0.0053710000000000, 0.0039215000000000 ] - [ 0.0014488600000000, -0.0003276600000000, -0.0002711700000000 ] - [ 0.0040879400000000, -0.0005621200000000, -0.0000727600000000 ] - [ 0.0012919800000000, 0.0014282800000000, 0.0007625000000000 ] - [ 0.0005212000000000, -0.0044802000000000, -0.0026716100000000 ] - [ 0.0000677100000000, 0.0004524200000000, 0.0009734600000000 ] - [ 0.0008339000000000, -0.0000247900000000, 0.0000294500000000 ] - [ 0.0011053000000000, -0.0008461400000000, 0.0004842500000000 ] - [ 0.0014904300000000, 0.0004975300000000, 0.0013840300000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0008568900000000, -0.0025995100000000 ] - [ 0.0000000000000000, 0.0131027000000000, 0.0003621400000000 ] - [ 0.0000000000000000, 0.0038068600000000, 0.0003598700000000 ] - [ 0.0000000000000000, -0.0009563200000000, 0.0002241300000000 ] - [ 0.0000000000000000, 0.0004212700000000, -0.0002482900000000 ] - [ 0.0000000000000000, 0.0005416200000000, 0.0002261500000000 ] - [ 0.0000000000000000, -0.0005955800000000, -0.0001634400000000 ] - [ 0.0000000000000000, -0.0003798700000000, 0.0002178200000000 ] - [ -0.0005397600000000, -0.0004658000000000, -0.0006428800000000 ] - [ 0.0005219900000000, 0.0001200000000000, -0.0001958800000000 ] - [ -0.0000668000000000, 0.0000245400000000, -0.0006440500000000 ] - [ -0.0005219900000000, 0.0001200000000000, -0.0001958800000000 ] - [ 0.0005683100000000, 0.0002810100000000, 0.0015166000000000 ] - [ -0.0005683100000000, 0.0002810100000000, 0.0015166000000000 ] - [ 0.0000668000000000, 0.0000245400000000, -0.0006440500000000 ] - [ 0.0005397600000000, -0.0004658000000000, -0.0006428800000000 ] - [ -0.0003140200000000, -0.0002175300000000, -0.0006551000000000 ] - [ 0.0001790600000000, -0.0001952500000000, 0.0006333800000000 ] - [ 0.0001175500000000, 0.0001597800000000, -0.0006448600000000 ] - [ -0.0001790600000000, -0.0001952500000000, 0.0006333800000000 ] - [ 0.0001955400000000, -0.0000404800000000, 0.0006448300000000 ] - [ -0.0001955400000000, -0.0000404800000000, 0.0006448300000000 ] - [ -0.0001175500000000, 0.0001597800000000, -0.0006448600000000 ] - [ 0.0003140200000000, -0.0002175300000000, -0.0006551000000000 ] - [ 0.0040200100000000, 0.0023191500000000, 0.0020759000000000 ] - [ 0.0003761100000000, -0.0031496400000000, 0.0004956400000000 ] - [ 0.0021753500000000, 0.0025189700000000, -0.0016696300000000 ] - [ 0.0002819600000000, -0.0004106100000000, -0.0001931100000000 ] - [ 0.0000076000000000, 0.0009971400000000, -0.0001511100000000 ] - [ -0.0004887000000000, -0.0000361300000000, -0.0002818500000000 ] - [ 0.0013003100000000, -0.0004497500000000, -0.0021798200000000 ] - [ 0.0004887000000000, -0.0000361300000000, -0.0002818500000000 ] - [ -0.0167543700000000, 0.0229749900000000, 0.0031905500000000 ] - [ 0.0021310700000000, -0.0077114200000000, -0.0008965000000000 ] - [ -0.0000662600000000, 0.0003010900000000, 0.0000210200000000 ] - [ -0.0013003100000000, -0.0004497500000000, -0.0021798200000000 ] - [ -0.0021310700000000, -0.0077114200000000, -0.0008965000000000 ] - [ -0.0019857700000000, 0.0001006600000000, 0.0025736500000000 ] - [ 0.0019857700000000, 0.0001006600000000, 0.0025736500000000 ] - [ -0.0002819600000000, -0.0004106100000000, -0.0001931100000000 ] - [ 0.0009748400000000, -0.0037254700000000, 0.0003389000000000 ] - [ 0.0000662600000000, 0.0003010900000000, 0.0000210200000000 ] - [ -0.0003761100000000, -0.0031496400000000, 0.0004956400000000 ] - [ -0.0000076000000000, 0.0009971400000000, -0.0001511100000000 ] - [ -0.0009748400000000, -0.0037254700000000, 0.0003389000000000 ] - [ -0.0021753500000000, 0.0025189700000000, -0.0016696300000000 ] - [ 0.0167543700000000, 0.0229749900000000, 0.0031905500000000 ] - [ -0.0040200100000000, 0.0023191500000000, 0.0020759000000000 ] - [ 0.0012449800000000, -0.0009296400000000, 0.0007708400000000 ] - [ -0.0002039800000000, 0.0005463900000000, 0.0000725900000000 ] - [ 0.0007046900000000, -0.0006744200000000, -0.0008704200000000 ] - [ 0.0003414000000000, -0.0002915600000000, -0.0001960000000000 ] - [ -0.0002669600000000, -0.0005383300000000, -0.0002217400000000 ] - [ 0.0001428800000000, -0.0006780800000000, 0.0003012300000000 ] - [ -0.0000061700000000, 0.0000387500000000, 0.0003846700000000 ] - [ -0.0001428800000000, -0.0006780800000000, 0.0003012300000000 ] - [ 0.0000644200000000, -0.0003504000000000, -0.0001599100000000 ] - [ -0.0000430200000000, 0.0000924200000000, -0.0001415100000000 ] - [ -0.0006804600000000, -0.0003071500000000, -0.0002669500000000 ] - [ 0.0000061700000000, 0.0000387500000000, 0.0003846700000000 ] - [ 0.0000430200000000, 0.0000924200000000, -0.0001415100000000 ] - [ -0.0004166100000000, 0.0003797400000000, 0.0000018100000000 ] - [ 0.0004166100000000, 0.0003797400000000, 0.0000018100000000 ] - [ -0.0003414000000000, -0.0002915600000000, -0.0001960000000000 ] - [ 0.0001450700000000, 0.0001904000000000, 0.0002914300000000 ] - [ 0.0006804600000000, -0.0003071500000000, -0.0002669500000000 ] - [ 0.0002039800000000, 0.0005463900000000, 0.0000725900000000 ] - [ 0.0002669600000000, -0.0005383300000000, -0.0002217400000000 ] - [ -0.0001450700000000, 0.0001904000000000, 0.0002914300000000 ] - [ -0.0007046900000000, -0.0006744200000000, -0.0008704200000000 ] - [ -0.0000644200000000, -0.0003504000000000, -0.0001599100000000 ] - [ -0.0012449800000000, -0.0009296400000000, 0.0007708400000000 ] - [ -0.0002517400000000, -0.0003487200000000, 0.0000901000000000 ] - [ 0.0000000000000000, -0.0688971100000000, -0.0026648200000000 ] - [ 0.0006380300000000, -0.0007436500000000, -0.0007152100000000 ] - [ -0.0005641100000000, -0.0003057300000000, 0.0002330200000000 ] - [ 0.0001853500000000, -0.0006180600000000, -0.0005779100000000 ] - [ 0.0016074500000000, 0.0012459700000000, 0.0022263100000000 ] - [ 0.0006066600000000, -0.0004260300000000, 0.0006321700000000 ] - [ 0.0003886700000000, -0.0006041600000000, -0.0003186300000000 ] - [ 0.0000000000000000, 0.0001196400000000, -0.0002253200000000 ] - [ -0.0000024300000000, 0.0001799800000000, -0.0000277000000000 ] - [ 0.0000000000000000, 0.0012268900000000, 0.0001821500000000 ] - [ -0.0001123400000000, 0.0011660500000000, -0.0004596500000000 ] - [ 0.0001381700000000, 0.0001291500000000, -0.0001420300000000 ] - [ 0.0000908200000000, -0.0004649300000000, 0.0001114600000000 ] - [ 0.0073118900000000, -0.0017982800000000, -0.0024805700000000 ] - [ -0.0006380300000000, -0.0007436500000000, -0.0007152100000000 ] - [ -0.0014237000000000, 0.0021847300000000, -0.0022148200000000 ] - [ 0.0067780000000000, 0.0037890600000000, 0.0025543000000000 ] - [ -0.0073550000000000, 0.0067299900000000, -0.0036852800000000 ] - [ -0.0005670100000000, -0.0000732000000000, 0.0000520800000000 ] - [ -0.0003886700000000, -0.0006041600000000, -0.0003186300000000 ] - [ 0.0094137700000000, -0.0005379500000000, 0.0035892000000000 ] - [ 0.0003760100000000, -0.0001630400000000, 0.0000591300000000 ] - [ 0.0005641100000000, -0.0003057300000000, 0.0002330200000000 ] - [ -0.0000928300000000, 0.0003701600000000, 0.0005090400000000 ] - [ -0.0000546500000000, -0.0008410300000000, 0.0006802700000000 ] - [ -0.0059141400000000, -0.0025233900000000, -0.0011999400000000 ] - [ 0.0073550000000000, 0.0067299900000000, -0.0036852800000000 ] - [ 0.0059141400000000, -0.0025233900000000, -0.0011999400000000 ] - [ -0.0001381700000000, 0.0001291500000000, -0.0001420300000000 ] - [ 0.0001582200000000, -0.0002236500000000, -0.0000833900000000 ] - [ 0.0000000000000000, -0.0000198100000000, -0.0017973800000000 ] - [ 0.0000000000000000, 0.0007729700000000, 0.0000311000000000 ] - [ -0.0016074500000000, 0.0012459700000000, 0.0022263100000000 ] - [ 0.0000889300000000, -0.0002301300000000, 0.0000735300000000 ] - [ -0.0006791400000000, -0.0005828400000000, 0.0000439100000000 ] - [ -0.0001853500000000, -0.0006180600000000, -0.0005779100000000 ] - [ -0.0006066600000000, -0.0004260300000000, 0.0006321700000000 ] - [ -0.0003760100000000, -0.0001630400000000, 0.0000591300000000 ] - [ -0.0000889300000000, -0.0002301300000000, 0.0000735300000000 ] - [ 0.0005670100000000, -0.0000732000000000, 0.0000520800000000 ] - [ -0.0094137700000000, -0.0005379500000000, 0.0035892000000000 ] - [ 0.0001123400000000, 0.0011660500000000, -0.0004596500000000 ] - [ 0.0000024300000000, 0.0001799800000000, -0.0000277000000000 ] - [ -0.0067780000000000, 0.0037890600000000, 0.0025543000000000 ] - [ 0.0000000000000000, -0.0004691900000000, 0.0020837600000000 ] - [ 0.0000000000000000, 0.0013233100000000, 0.0000222500000000 ] - [ -0.0001582200000000, -0.0002236500000000, -0.0000833900000000 ] - [ -0.0073118900000000, -0.0017982800000000, -0.0024805700000000 ] - [ 0.0000000000000000, -0.0004253800000000, 0.0000904100000000 ] - [ 0.0014237000000000, 0.0021847300000000, -0.0022148200000000 ] - [ -0.0000908200000000, -0.0004649300000000, 0.0001114600000000 ] - [ 0.0002517400000000, -0.0003487200000000, 0.0000901000000000 ] - [ 0.0000546500000000, -0.0008410300000000, 0.0006802700000000 ] - [ 0.0000928300000000, 0.0003701600000000, 0.0005090400000000 ] - [ 0.0006791400000000, -0.0005828400000000, 0.0000439100000000 ] - [ 0.0000830800000000, 0.0007206200000000, 0.0003042200000000 ] - [ 0.0000000000000000, 0.0006285400000000, -0.0000829800000000 ] - [ 0.0004067100000000, 0.0001236800000000, 0.0001296700000000 ] - [ -0.0000344700000000, 0.0000488500000000, -0.0003578400000000 ] - [ 0.0002290400000000, -0.0002980300000000, -0.0001601600000000 ] - [ 0.0001390200000000, -0.0006341600000000, -0.0003263000000000 ] - [ 0.0003805700000000, 0.0002965500000000, 0.0000021400000000 ] - [ 0.0013147100000000, 0.0009386100000000, 0.0000220700000000 ] - [ 0.0000000000000000, 0.0003612600000000, -0.0000048700000000 ] - [ 0.0000631400000000, 0.0005496600000000, -0.0000957600000000 ] - [ 0.0000000000000000, -0.0002778400000000, -0.0000432700000000 ] - [ -0.0000291700000000, 0.0002784800000000, -0.0000808300000000 ] - [ 0.0005397300000000, 0.0006055600000000, 0.0000460300000000 ] - [ -0.0000000800000000, 0.0018799900000000, 0.0016107000000000 ] - [ 0.0006403900000000, -0.0000640200000000, -0.0000657500000000 ] - [ -0.0004067100000000, 0.0001236800000000, 0.0001296700000000 ] - [ 0.0000822500000000, 0.0002660500000000, 0.0003429900000000 ] - [ 0.0002224400000000, 0.0006527600000000, -0.0001055900000000 ] - [ -0.0000008300000000, 0.0006617500000000, 0.0000966500000000 ] - [ -0.0009017500000000, 0.0004097400000000, -0.0000665200000000 ] - [ -0.0013147100000000, 0.0009386100000000, 0.0000220700000000 ] - [ 0.0010852400000000, 0.0000755500000000, -0.0000456300000000 ] - [ 0.0001877300000000, -0.0001099500000000, 0.0000011200000000 ] - [ 0.0000344700000000, 0.0000488500000000, -0.0003578400000000 ] - [ -0.0002016500000000, -0.0006270800000000, 0.0000990100000000 ] - [ -0.0000000900000000, -0.0003004600000000, 0.0001204300000000 ] - [ -0.0001340100000000, 0.0005927700000000, 0.0000114900000000 ] - [ 0.0000008300000000, 0.0006617500000000, 0.0000966500000000 ] - [ 0.0001340100000000, 0.0005927700000000, 0.0000114900000000 ] - [ -0.0005397300000000, 0.0006055600000000, 0.0000460300000000 ] - [ 0.0000438500000000, 0.0026493700000000, -0.0020119400000000 ] - [ 0.0000000000000000, -0.0003260600000000, 0.0000261000000000 ] - [ 0.0000000000000000, 0.0002486700000000, 0.0000229200000000 ] - [ -0.0001390200000000, -0.0006341600000000, -0.0003263000000000 ] - [ -0.0001974700000000, 0.0008884000000000, -0.0002288300000000 ] - [ -0.0002008300000000, -0.0001431700000000, 0.0004810500000000 ] - [ -0.0002290400000000, -0.0002980300000000, -0.0001601600000000 ] - [ -0.0003805700000000, 0.0002965500000000, 0.0000021400000000 ] - [ -0.0001877300000000, -0.0001099500000000, 0.0000011200000000 ] - [ 0.0001974700000000, 0.0008884000000000, -0.0002288300000000 ] - [ 0.0009017500000000, 0.0004097400000000, -0.0000665200000000 ] - [ -0.0010852400000000, 0.0000755500000000, -0.0000456300000000 ] - [ 0.0000291700000000, 0.0002784800000000, -0.0000808300000000 ] - [ -0.0000631400000000, 0.0005496600000000, -0.0000957600000000 ] - [ -0.0002224400000000, 0.0006527600000000, -0.0001055900000000 ] - [ 0.0000000000000000, -0.0005546500000000, 0.0000349500000000 ] - [ 0.0000000000000000, 0.0004762100000000, 0.0000573600000000 ] - [ -0.0000438500000000, 0.0026493700000000, -0.0020119400000000 ] - [ -0.0006403900000000, -0.0000640200000000, -0.0000657500000000 ] - [ 0.0000000000000000, -0.0005615800000000, -0.0000582800000000 ] - [ -0.0000822500000000, 0.0002660500000000, 0.0003429900000000 ] - [ 0.0000000800000000, 0.0018799900000000, 0.0016107000000000 ] - [ -0.0000830800000000, 0.0007206200000000, 0.0003042200000000 ] - [ 0.0000000900000000, -0.0003004600000000, 0.0001204300000000 ] - [ 0.0002016500000000, -0.0006270800000000, 0.0000990100000000 ] - [ 0.0002008300000000, -0.0001431700000000, 0.0004810500000000 ]- atom: 74 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0018050600000000, 0.0021332600000000 ] - [ 0.0000000000000000, -0.0112080500000000, 0.0001081000000000 ] - [ 0.0000000000000000, -0.0047498000000000, -0.0007718200000000 ] - [ 0.0000000000000000, -0.0000128900000000, 0.0002299800000000 ] - [ 0.0000000000000000, 0.0005457900000000, -0.0002059200000000 ] - [ 0.0000000000000000, 0.0004223400000000, 0.0002278000000000 ] - [ 0.0000000000000000, -0.0003689400000000, -0.0002889600000000 ] - [ 0.0000000000000000, -0.0005842400000000, 0.0002341000000000 ] - [ 0.0007257400000000, 0.0002788300000000, -0.0006347800000000 ] - [ -0.0003201500000000, -0.0003075700000000, 0.0014687400000000 ] - [ 0.0002627000000000, 0.0001638400000000, -0.0006343200000000 ] - [ 0.0003201500000000, -0.0003075700000000, 0.0014687400000000 ] - [ -0.0003693300000000, -0.0000956900000000, -0.0002367200000000 ] - [ 0.0003693300000000, -0.0000956900000000, -0.0002367200000000 ] - [ -0.0002627000000000, 0.0001638400000000, -0.0006343200000000 ] - [ -0.0007257400000000, 0.0002788300000000, -0.0006347800000000 ] - [ 0.0005092300000000, 0.0000254100000000, -0.0006218400000000 ] - [ 0.0000197100000000, 0.0000080600000000, 0.0006454900000000 ] - [ 0.0000810000000000, 0.0000276200000000, -0.0006336400000000 ] - [ -0.0000197100000000, 0.0000080600000000, 0.0006454900000000 ] - [ 0.0000038200000000, 0.0002295400000000, 0.0006335300000000 ] - [ -0.0000038200000000, 0.0002295400000000, 0.0006335300000000 ] - [ -0.0000810000000000, 0.0000276200000000, -0.0006336400000000 ] - [ -0.0005092300000000, 0.0000254100000000, -0.0006218400000000 ] - [ -0.0029999300000000, -0.0022978400000000, -0.0020519300000000 ] - [ -0.0007542900000000, 0.0033418300000000, -0.0001299700000000 ] - [ -0.0021798400000000, -0.0016793500000000, 0.0016447100000000 ] - [ 0.0001059900000000, 0.0001802400000000, -0.0001557200000000 ] - [ -0.0004875700000000, -0.0015511100000000, -0.0002701200000000 ] - [ 0.0004840000000000, -0.0007766600000000, 0.0002852700000000 ] - [ -0.0016652600000000, 0.0002576900000000, 0.0025131100000000 ] - [ -0.0004840000000000, -0.0007766600000000, 0.0002852700000000 ] - [ 0.0169902000000000, -0.0224466500000000, -0.0035505100000000 ] - [ -0.0026025400000000, 0.0082261600000000, 0.0004972600000000 ] - [ -0.0009535100000000, -0.0002976700000000, -0.0000254000000000 ] - [ 0.0016652600000000, 0.0002576900000000, 0.0025131100000000 ] - [ 0.0026025400000000, 0.0082261600000000, 0.0004972600000000 ] - [ 0.0014831200000000, 0.0004900600000000, -0.0021397800000000 ] - [ -0.0014831200000000, 0.0004900600000000, -0.0021397800000000 ] - [ -0.0001059900000000, 0.0001802400000000, -0.0001557200000000 ] - [ -0.0004855800000000, 0.0031350700000000, 0.0000681200000000 ] - [ 0.0009535100000000, -0.0002976700000000, -0.0000254000000000 ] - [ 0.0007542900000000, 0.0033418300000000, -0.0001299700000000 ] - [ 0.0004875700000000, -0.0015511100000000, -0.0002701200000000 ] - [ 0.0004855800000000, 0.0031350700000000, 0.0000681200000000 ] - [ 0.0021798400000000, -0.0016793500000000, 0.0016447100000000 ] - [ -0.0169902000000000, -0.0224466500000000, -0.0035505100000000 ] - [ 0.0029999300000000, -0.0022978400000000, -0.0020519300000000 ] - [ -0.0002258500000000, 0.0009246200000000, -0.0007664900000000 ] - [ -0.0001816700000000, -0.0003279300000000, 0.0002719600000000 ] - [ -0.0007088700000000, 0.0014833600000000, 0.0008684100000000 ] - [ 0.0000470500000000, 0.0000720500000000, -0.0001520600000000 ] - [ -0.0002128300000000, -0.0000222300000000, -0.0002015000000000 ] - [ -0.0001376500000000, -0.0001402800000000, -0.0003040100000000 ] - [ -0.0003814900000000, -0.0002642800000000, -0.0000359100000000 ] - [ 0.0001376500000000, -0.0001402800000000, -0.0003040100000000 ] - [ 0.0003250800000000, 0.0005757900000000, -0.0001870400000000 ] - [ -0.0004386000000000, 0.0004772800000000, -0.0002806200000000 ] - [ -0.0003493000000000, 0.0003036500000000, 0.0002671000000000 ] - [ 0.0003814900000000, -0.0002642800000000, -0.0000359100000000 ] - [ 0.0004386000000000, 0.0004772800000000, -0.0002806200000000 ] - [ -0.0000636000000000, 0.0001783000000000, 0.0004190800000000 ] - [ 0.0000636000000000, 0.0001783000000000, 0.0004190800000000 ] - [ -0.0000470500000000, 0.0000720500000000, -0.0001520600000000 ] - [ 0.0003373800000000, -0.0007553600000000, 0.0001350200000000 ] - [ 0.0003493000000000, 0.0003036500000000, 0.0002671000000000 ] - [ 0.0001816700000000, -0.0003279300000000, 0.0002719600000000 ] - [ 0.0002128300000000, -0.0000222300000000, -0.0002015000000000 ] - [ -0.0003373800000000, -0.0007553600000000, 0.0001350200000000 ] - [ 0.0007088700000000, 0.0014833600000000, 0.0008684100000000 ] - [ -0.0003250800000000, 0.0005757900000000, -0.0001870400000000 ] - [ 0.0002258500000000, 0.0009246200000000, -0.0007664900000000 ] - [ -0.0002026100000000, 0.0006511500000000, -0.0000973400000000 ] - [ 0.0000000000000000, 0.0686677100000000, 0.0024517600000000 ] - [ 0.0001185300000000, 0.0007339600000000, 0.0007081000000000 ] - [ 0.0010146000000000, -0.0000046800000000, -0.0002537800000000 ] - [ 0.0002080700000000, -0.0002511600000000, 0.0002615500000000 ] - [ -0.0015238800000000, -0.0021217100000000, -0.0024507300000000 ] - [ 0.0001040700000000, 0.0008101100000000, -0.0004054100000000 ] - [ -0.0003050500000000, -0.0001745400000000, 0.0001403400000000 ] - [ 0.0000000000000000, 0.0005234800000000, 0.0002207900000000 ] - [ 0.0000843300000000, 0.0005906200000000, -0.0001502500000000 ] - [ 0.0000000000000000, -0.0018677100000000, -0.0001847300000000 ] - [ 0.0000552700000000, -0.0002818300000000, 0.0001899900000000 ] - [ 0.0005673600000000, 0.0002596000000000, -0.0000848100000000 ] - [ -0.0008020900000000, 0.0000723600000000, 0.0001140800000000 ] - [ -0.0065861400000000, 0.0013526500000000, 0.0022647100000000 ] - [ -0.0001185300000000, 0.0007339600000000, 0.0007081000000000 ] - [ 0.0017867000000000, -0.0012980300000000, 0.0024878300000000 ] - [ -0.0064493800000000, -0.0028836100000000, -0.0028896000000000 ] - [ 0.0074898800000000, -0.0058588300000000, 0.0039861200000000 ] - [ -0.0009706000000000, 0.0000725100000000, -0.0000502700000000 ] - [ 0.0003050500000000, -0.0001745400000000, 0.0001403400000000 ] - [ -0.0078687800000000, 0.0004863900000000, -0.0035932500000000 ] - [ 0.0000801200000000, -0.0001414800000000, -0.0000455500000000 ] - [ -0.0010146000000000, -0.0000046800000000, -0.0002537800000000 ] - [ -0.0002960300000000, -0.0012448900000000, -0.0001937700000000 ] - [ 0.0001095700000000, -0.0000431400000000, -0.0004124800000000 ] - [ 0.0053900400000000, 0.0027799700000000, 0.0012073700000000 ] - [ -0.0074898800000000, -0.0058588300000000, 0.0039861200000000 ] - [ -0.0053900400000000, 0.0027799700000000, 0.0012073700000000 ] - [ -0.0005673600000000, 0.0002596000000000, -0.0000848100000000 ] - [ -0.0009146900000000, 0.0002196300000000, 0.0000840900000000 ] - [ 0.0000000000000000, -0.0006271000000000, 0.0017783800000000 ] - [ 0.0000000000000000, -0.0001246700000000, -0.0000228400000000 ] - [ 0.0015238800000000, -0.0021217100000000, -0.0024507300000000 ] - [ -0.0000058400000000, 0.0010004000000000, 0.0000989700000000 ] - [ 0.0007551100000000, -0.0001947200000000, 0.0001409900000000 ] - [ -0.0002080700000000, -0.0002511600000000, 0.0002615500000000 ] - [ -0.0001040700000000, 0.0008101100000000, -0.0004054100000000 ] - [ -0.0000801200000000, -0.0001414800000000, -0.0000455500000000 ] - [ 0.0000058400000000, 0.0010004000000000, 0.0000989700000000 ] - [ 0.0009706000000000, 0.0000725100000000, -0.0000502700000000 ] - [ 0.0078687800000000, 0.0004863900000000, -0.0035932500000000 ] - [ -0.0000552700000000, -0.0002818300000000, 0.0001899900000000 ] - [ -0.0000843300000000, 0.0005906200000000, -0.0001502500000000 ] - [ 0.0064493800000000, -0.0028836100000000, -0.0028896000000000 ] - [ 0.0000000000000000, -0.0006626600000000, -0.0019162000000000 ] - [ 0.0000000000000000, -0.0001913400000000, 0.0001169600000000 ] - [ 0.0009146900000000, 0.0002196300000000, 0.0000840900000000 ] - [ 0.0065861400000000, 0.0013526500000000, 0.0022647100000000 ] - [ 0.0000000000000000, -0.0006971400000000, -0.0002333800000000 ] - [ -0.0017867000000000, -0.0012980300000000, 0.0024878300000000 ] - [ 0.0008020900000000, 0.0000723600000000, 0.0001140800000000 ] - [ 0.0002026100000000, 0.0006511500000000, -0.0000973400000000 ] - [ -0.0001095700000000, -0.0000431400000000, -0.0004124800000000 ] - [ 0.0002960300000000, -0.0012448900000000, -0.0001937700000000 ] - [ -0.0007551100000000, -0.0001947200000000, 0.0001409900000000 ] - [ -0.0005322200000000, -0.0004119800000000, -0.0003160000000000 ] - [ 0.0000000000000000, 0.0004968500000000, -0.0000606700000000 ] - [ 0.0003439100000000, -0.0001227700000000, -0.0001291200000000 ] - [ 0.0004902500000000, -0.0003497200000000, 0.0003471500000000 ] - [ 0.0001618000000000, -0.0005745300000000, -0.0001518500000000 ] - [ -0.0000829800000000, -0.0002444700000000, 0.0000611300000000 ] - [ 0.0003259200000000, 0.0000939900000000, 0.0002223200000000 ] - [ -0.0012306000000000, -0.0017018900000000, -0.0002066200000000 ] - [ 0.0000000000000000, 0.0002825800000000, 0.0000011500000000 ] - [ 0.0000214700000000, 0.0002226500000000, -0.0000835100000000 ] - [ 0.0000000000000000, -0.0003677600000000, 0.0000399500000000 ] - [ -0.0000259800000000, 0.0006081900000000, -0.0001811300000000 ] - [ 0.0001724000000000, -0.0002079900000000, -0.0002641900000000 ] - [ -0.0007117700000000, -0.0022571300000000, -0.0013827300000000 ] - [ 0.0000668300000000, -0.0003255200000000, -0.0001586500000000 ] - [ -0.0003439100000000, -0.0001227700000000, -0.0001291200000000 ] - [ 0.0003079200000000, 0.0006092900000000, -0.0000310000000000 ] - [ 0.0001683900000000, 0.0002155100000000, -0.0002066900000000 ] - [ 0.0000563400000000, 0.0002193200000000, 0.0001674100000000 ] - [ -0.0006402000000000, -0.0004047400000000, 0.0000636300000000 ] - [ 0.0012306000000000, -0.0017018900000000, -0.0002066200000000 ] - [ 0.0004476200000000, -0.0000752800000000, 0.0000452100000000 ] - [ 0.0002666000000000, -0.0001920500000000, 0.0000110000000000 ] - [ -0.0004902500000000, -0.0003497200000000, 0.0003471500000000 ] - [ -0.0001891400000000, -0.0002400400000000, 0.0002131400000000 ] - [ 0.0000552700000000, -0.0005845300000000, 0.0001436700000000 ] - [ -0.0003233200000000, -0.0002880100000000, -0.0000018100000000 ] - [ -0.0000563400000000, 0.0002193200000000, 0.0001674100000000 ] - [ 0.0003233200000000, -0.0002880100000000, -0.0000018100000000 ] - [ -0.0001724000000000, -0.0002079900000000, -0.0002641900000000 ] - [ -0.0007970500000000, -0.0026344700000000, 0.0020034800000000 ] - [ 0.0000000000000000, -0.0003170600000000, -0.0000225400000000 ] - [ 0.0000000000000000, 0.0003957700000000, -0.0000206100000000 ] - [ 0.0000829800000000, -0.0002444700000000, 0.0000611300000000 ] - [ 0.0002750700000000, -0.0001134300000000, 0.0004104700000000 ] - [ 0.0002848700000000, -0.0006255700000000, -0.0003002700000000 ] - [ -0.0001618000000000, -0.0005745300000000, -0.0001518500000000 ] - [ -0.0003259200000000, 0.0000939900000000, 0.0002223200000000 ] - [ -0.0002666000000000, -0.0001920500000000, 0.0000110000000000 ] - [ -0.0002750700000000, -0.0001134300000000, 0.0004104700000000 ] - [ 0.0006402000000000, -0.0004047400000000, 0.0000636300000000 ] - [ -0.0004476200000000, -0.0000752800000000, 0.0000452100000000 ] - [ 0.0000259800000000, 0.0006081900000000, -0.0001811300000000 ] - [ -0.0000214700000000, 0.0002226500000000, -0.0000835100000000 ] - [ -0.0001683900000000, 0.0002155100000000, -0.0002066900000000 ] - [ 0.0000000000000000, -0.0005703300000000, 0.0001084000000000 ] - [ 0.0000000000000000, 0.0006489800000000, 0.0000877600000000 ] - [ 0.0007970500000000, -0.0026344700000000, 0.0020034800000000 ] - [ -0.0000668300000000, -0.0003255200000000, -0.0001586500000000 ] - [ 0.0000000000000000, -0.0005636900000000, -0.0000855300000000 ] - [ -0.0003079200000000, 0.0006092900000000, -0.0000310000000000 ] - [ 0.0007117700000000, -0.0022571300000000, -0.0013827300000000 ] - [ 0.0005322200000000, -0.0004119800000000, -0.0003160000000000 ] - [ -0.0000552700000000, -0.0005845300000000, 0.0001436700000000 ] - [ 0.0001891400000000, -0.0002400400000000, 0.0002131400000000 ] - [ -0.0002848700000000, -0.0006255700000000, -0.0003002700000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0016867100000000, -0.0020083500000000 ] - [ 0.0000000000000000, 0.0001773500000000, 0.0040523200000000 ] - [ 0.0000000000000000, -0.0008746500000000, -0.0019630300000000 ] - [ 0.0000000000000000, -0.0004185700000000, -0.0004530800000000 ] - [ 0.0000000000000000, 0.0006703800000000, -0.0003520300000000 ] - [ 0.0000000000000000, 0.0004444600000000, 0.0004136000000000 ] - [ 0.0000000000000000, -0.0004527200000000, -0.0001791500000000 ] - [ 0.0000000000000000, -0.0004675500000000, -0.0000235600000000 ] - [ 0.0000414500000000, -0.0000682500000000, -0.0003722200000000 ] - [ 0.0004186600000000, -0.0002542700000000, 0.0000819300000000 ] - [ 0.0000859000000000, 0.0000931100000000, -0.0009218000000000 ] - [ -0.0004186600000000, -0.0002542700000000, 0.0000819300000000 ] - [ -0.0003111900000000, 0.0002516400000000, 0.0004998100000000 ] - [ 0.0003111900000000, 0.0002516400000000, 0.0004998100000000 ] - [ -0.0000859000000000, 0.0000931100000000, -0.0009218000000000 ] - [ -0.0000414500000000, -0.0000682500000000, -0.0003722200000000 ] - [ -0.0000026000000000, -0.0002944500000000, -0.0004534400000000 ] - [ 0.0000102300000000, 0.0000216300000000, 0.0006279700000000 ] - [ 0.0001588400000000, 0.0000880800000000, -0.0007385900000000 ] - [ -0.0000102300000000, 0.0000216300000000, 0.0006279700000000 ] - [ 0.0002242600000000, -0.0000021100000000, 0.0006743500000000 ] - [ -0.0002242600000000, -0.0000021100000000, 0.0006743500000000 ] - [ -0.0001588400000000, 0.0000880800000000, -0.0007385900000000 ] - [ 0.0000026000000000, -0.0002944500000000, -0.0004534400000000 ] - [ 0.0049485700000000, 0.0010758800000000, 0.0027364300000000 ] - [ -0.0004661900000000, 0.0008095400000000, 0.0003018000000000 ] - [ -0.0037005500000000, 0.0012064200000000, 0.0002393900000000 ] - [ 0.0000226800000000, 0.0007737600000000, -0.0014265700000000 ] - [ -0.0012057300000000, -0.0008438100000000, -0.0024017900000000 ] - [ -0.0009031500000000, -0.0003009300000000, -0.0010470900000000 ] - [ 0.0012537900000000, -0.0023037100000000, -0.0014080500000000 ] - [ 0.0009031500000000, -0.0003009300000000, -0.0010470900000000 ] - [ -0.0071581800000000, 0.0027196000000000, 0.0170377700000000 ] - [ -0.0001384300000000, 0.0005775900000000, 0.0041757000000000 ] - [ -0.0007662700000000, -0.0001686500000000, -0.0014114900000000 ] - [ -0.0012537900000000, -0.0023037100000000, -0.0014080500000000 ] - [ 0.0001384300000000, 0.0005775900000000, 0.0041757000000000 ] - [ 0.0007044100000000, 0.0027967400000000, -0.0025382700000000 ] - [ -0.0007044100000000, 0.0027967400000000, -0.0025382700000000 ] - [ -0.0000226800000000, 0.0007737600000000, -0.0014265700000000 ] - [ 0.0005369300000000, -0.0009311500000000, 0.0003554900000000 ] - [ 0.0007662700000000, -0.0001686500000000, -0.0014114900000000 ] - [ 0.0004661900000000, 0.0008095400000000, 0.0003018000000000 ] - [ 0.0012057300000000, -0.0008438100000000, -0.0024017900000000 ] - [ -0.0005369300000000, -0.0009311500000000, 0.0003554900000000 ] - [ 0.0037005500000000, 0.0012064200000000, 0.0002393900000000 ] - [ 0.0071581800000000, 0.0027196000000000, 0.0170377700000000 ] - [ -0.0049485700000000, 0.0010758800000000, 0.0027364300000000 ] - [ 0.0002118500000000, 0.0000413400000000, 0.0004302200000000 ] - [ 0.0000727600000000, -0.0003572400000000, -0.0002069500000000 ] - [ 0.0001978400000000, 0.0002688600000000, 0.0002857000000000 ] - [ 0.0002638400000000, -0.0001772300000000, -0.0005439600000000 ] - [ -0.0002077500000000, -0.0002795500000000, -0.0004263500000000 ] - [ 0.0003630600000000, -0.0003142100000000, -0.0002119400000000 ] - [ -0.0003020400000000, -0.0000471200000000, 0.0002165800000000 ] - [ -0.0003630600000000, -0.0003142100000000, -0.0002119400000000 ] - [ 0.0002198200000000, 0.0001914700000000, -0.0000071100000000 ] - [ -0.0002497900000000, 0.0004002800000000, 0.0006117200000000 ] - [ -0.0005160800000000, 0.0000765000000000, -0.0005301800000000 ] - [ 0.0003020400000000, -0.0000471200000000, 0.0002165800000000 ] - [ 0.0002497900000000, 0.0004002800000000, 0.0006117200000000 ] - [ -0.0002377100000000, -0.0000042400000000, 0.0001171100000000 ] - [ 0.0002377100000000, -0.0000042400000000, 0.0001171100000000 ] - [ -0.0002638400000000, -0.0001772300000000, -0.0005439600000000 ] - [ -0.0000100000000000, -0.0000695600000000, 0.0002250600000000 ] - [ 0.0005160800000000, 0.0000765000000000, -0.0005301800000000 ] - [ -0.0000727600000000, -0.0003572400000000, -0.0002069500000000 ] - [ 0.0002077500000000, -0.0002795500000000, -0.0004263500000000 ] - [ 0.0000100000000000, -0.0000695600000000, 0.0002250600000000 ] - [ -0.0001978400000000, 0.0002688600000000, 0.0002857000000000 ] - [ -0.0002198200000000, 0.0001914700000000, -0.0000071100000000 ] - [ -0.0002118500000000, 0.0000413400000000, 0.0004302200000000 ] - [ 0.0000961000000000, 0.0002031500000000, 0.0005293100000000 ] - [ 0.0000000000000000, -0.0020313000000000, -0.0456736200000000 ] - [ 0.0003086400000000, 0.0008525100000000, 0.0013492200000000 ] - [ -0.0006808400000000, -0.0000622600000000, 0.0004195000000000 ] - [ -0.0009450100000000, -0.0013341300000000, 0.0015877100000000 ] - [ 0.0000439900000000, 0.0002043000000000, -0.0004026100000000 ] - [ 0.0011121900000000, 0.0001829100000000, 0.0009191400000000 ] - [ 0.0000198800000000, -0.0005773000000000, -0.0015247000000000 ] - [ 0.0000000000000000, 0.0005192400000000, 0.0016696400000000 ] - [ -0.0001830800000000, 0.0004918400000000, 0.0006015400000000 ] - [ 0.0000000000000000, -0.0001310000000000, -0.0004518500000000 ] - [ 0.0000337400000000, -0.0005268400000000, 0.0003744300000000 ] - [ 0.0000388500000000, 0.0002975800000000, 0.0000915000000000 ] - [ -0.0016483400000000, -0.0003379100000000, 0.0000414500000000 ] - [ -0.0081710600000000, -0.0047747700000000, 0.0028842100000000 ] - [ -0.0003086400000000, 0.0008525100000000, 0.0013492200000000 ] - [ 0.0000506200000000, -0.0001948500000000, -0.0002184100000000 ] - [ 0.0057220400000000, 0.0054542600000000, -0.0013063400000000 ] - [ 0.0066953000000000, -0.0046917900000000, -0.0020163000000000 ] - [ -0.0008982200000000, -0.0000917800000000, 0.0002883900000000 ] - [ -0.0000198800000000, -0.0005773000000000, -0.0015247000000000 ] - [ 0.0117496400000000, 0.0040042700000000, 0.0022574800000000 ] - [ 0.0002964800000000, -0.0001342800000000, 0.0006084300000000 ] - [ 0.0006808400000000, -0.0000622600000000, 0.0004195000000000 ] - [ -0.0000703600000000, 0.0003229400000000, 0.0005968300000000 ] - [ -0.0000279800000000, -0.0004561300000000, 0.0011139000000000 ] - [ -0.0035228100000000, -0.0016772500000000, -0.0010098000000000 ] - [ -0.0066953000000000, -0.0046917900000000, -0.0020163000000000 ] - [ 0.0035228100000000, -0.0016772500000000, -0.0010098000000000 ] - [ -0.0000388500000000, 0.0002975800000000, 0.0000915000000000 ] - [ 0.0005107600000000, 0.0001632000000000, -0.0003753400000000 ] - [ 0.0000000000000000, -0.0013745600000000, 0.0006472300000000 ] - [ 0.0000000000000000, 0.0003906900000000, 0.0000042200000000 ] - [ -0.0000439900000000, 0.0002043000000000, -0.0004026100000000 ] - [ 0.0003593200000000, 0.0002533200000000, 0.0002815100000000 ] - [ 0.0006944300000000, -0.0006155600000000, 0.0009187800000000 ] - [ 0.0009450100000000, -0.0013341300000000, 0.0015877100000000 ] - [ -0.0011121900000000, 0.0001829100000000, 0.0009191400000000 ] - [ -0.0002964800000000, -0.0001342800000000, 0.0006084300000000 ] - [ -0.0003593200000000, 0.0002533200000000, 0.0002815100000000 ] - [ 0.0008982200000000, -0.0000917800000000, 0.0002883900000000 ] - [ -0.0117496400000000, 0.0040042700000000, 0.0022574800000000 ] - [ -0.0000337400000000, -0.0005268400000000, 0.0003744300000000 ] - [ 0.0001830800000000, 0.0004918400000000, 0.0006015400000000 ] - [ -0.0057220400000000, 0.0054542600000000, -0.0013063400000000 ] - [ 0.0000000000000000, 0.0014521500000000, 0.0010681300000000 ] - [ 0.0000000000000000, 0.0006102000000000, 0.0000937900000000 ] - [ -0.0005107600000000, 0.0001632000000000, -0.0003753400000000 ] - [ 0.0081710600000000, -0.0047747700000000, 0.0028842100000000 ] - [ 0.0000000000000000, -0.0007264100000000, 0.0003046200000000 ] - [ -0.0000506200000000, -0.0001948500000000, -0.0002184100000000 ] - [ 0.0016483400000000, -0.0003379100000000, 0.0000414500000000 ] - [ -0.0000961000000000, 0.0002031500000000, 0.0005293100000000 ] - [ 0.0000279800000000, -0.0004561300000000, 0.0011139000000000 ] - [ 0.0000703600000000, 0.0003229400000000, 0.0005968300000000 ] - [ -0.0006944300000000, -0.0006155600000000, 0.0009187800000000 ] - [ -0.0003514000000000, -0.0000445900000000, 0.0000417000000000 ] - [ 0.0000000000000000, 0.0005515400000000, -0.0001162900000000 ] - [ 0.0003545500000000, 0.0001395200000000, 0.0001761100000000 ] - [ 0.0003939700000000, -0.0002915200000000, -0.0000458200000000 ] - [ 0.0002404400000000, -0.0004264500000000, -0.0000675900000000 ] - [ 0.0000120400000000, -0.0005265400000000, -0.0002739000000000 ] - [ 0.0002364800000000, 0.0001333800000000, 0.0001932500000000 ] - [ -0.0000408400000000, -0.0002604500000000, -0.0006974200000000 ] - [ 0.0000000000000000, 0.0003217600000000, 0.0000348500000000 ] - [ 0.0000843400000000, 0.0003550000000000, 0.0001405200000000 ] - [ 0.0000000000000000, -0.0003721200000000, -0.0001638700000000 ] - [ -0.0000470000000000, 0.0006193500000000, 0.0000184400000000 ] - [ 0.0005787400000000, 0.0002120200000000, 0.0000265600000000 ] - [ -0.0002946000000000, -0.0002371600000000, -0.0003536500000000 ] - [ 0.0003634200000000, -0.0001275800000000, -0.0001953700000000 ] - [ -0.0003545500000000, 0.0001395200000000, 0.0001761100000000 ] - [ 0.0001288200000000, 0.0006595200000000, 0.0001381800000000 ] - [ 0.0001753800000000, 0.0003263200000000, -0.0002755500000000 ] - [ 0.0000029000000000, 0.0003682000000000, -0.0000143900000000 ] - [ -0.0007233300000000, -0.0002651700000000, 0.0003933300000000 ] - [ 0.0000408400000000, -0.0002604500000000, -0.0006974200000000 ] - [ 0.0006726100000000, -0.0000658900000000, -0.0001078800000000 ] - [ 0.0000102800000000, -0.0003013000000000, 0.0002667900000000 ] - [ -0.0003939700000000, -0.0002915200000000, -0.0000458200000000 ] - [ -0.0002505200000000, -0.0005028500000000, 0.0002075400000000 ] - [ 0.0000380800000000, -0.0004677300000000, 0.0002832400000000 ] - [ -0.0002606500000000, 0.0001301600000000, -0.0001960200000000 ] - [ -0.0000029000000000, 0.0003682000000000, -0.0000143900000000 ] - [ 0.0002606500000000, 0.0001301600000000, -0.0001960200000000 ] - [ -0.0005787400000000, 0.0002120200000000, 0.0000265600000000 ] - [ -0.0004068400000000, 0.0002561600000000, -0.0004933200000000 ] - [ 0.0000000000000000, -0.0002742500000000, 0.0000043300000000 ] - [ 0.0000000000000000, 0.0003147200000000, 0.0000605700000000 ] - [ -0.0000120400000000, -0.0005265400000000, -0.0002739000000000 ] - [ -0.0001518800000000, 0.0005458800000000, -0.0000109000000000 ] - [ -0.0000390600000000, -0.0001820500000000, 0.0002261600000000 ] - [ -0.0002404400000000, -0.0004264500000000, -0.0000675900000000 ] - [ -0.0002364800000000, 0.0001333800000000, 0.0001932500000000 ] - [ -0.0000102800000000, -0.0003013000000000, 0.0002667900000000 ] - [ 0.0001518800000000, 0.0005458800000000, -0.0000109000000000 ] - [ 0.0007233300000000, -0.0002651700000000, 0.0003933300000000 ] - [ -0.0006726100000000, -0.0000658900000000, -0.0001078800000000 ] - [ 0.0000470000000000, 0.0006193500000000, 0.0000184400000000 ] - [ -0.0000843400000000, 0.0003550000000000, 0.0001405200000000 ] - [ -0.0001753800000000, 0.0003263200000000, -0.0002755500000000 ] - [ 0.0000000000000000, -0.0005995600000000, 0.0000398800000000 ] - [ 0.0000000000000000, 0.0005778800000000, 0.0002347900000000 ] - [ 0.0004068400000000, 0.0002561600000000, -0.0004933200000000 ] - [ -0.0003634200000000, -0.0001275800000000, -0.0001953700000000 ] - [ 0.0000000000000000, -0.0005763200000000, 0.0000346400000000 ] - [ -0.0001288200000000, 0.0006595200000000, 0.0001381800000000 ] - [ 0.0002946000000000, -0.0002371600000000, -0.0003536500000000 ] - [ 0.0003514000000000, -0.0000445900000000, 0.0000417000000000 ] - [ -0.0000380800000000, -0.0004677300000000, 0.0002832400000000 ] - [ 0.0002505200000000, -0.0005028500000000, 0.0002075400000000 ] - [ 0.0000390600000000, -0.0001820500000000, 0.0002261600000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0026606200000000, 0.0015446700000000 ] - [ 0.0000000000000000, 0.0007261600000000, -0.0035861900000000 ] - [ 0.0000000000000000, -0.0001721600000000, 0.0018532200000000 ] - [ 0.0000000000000000, -0.0005473800000000, 0.0009055100000000 ] - [ 0.0000000000000000, 0.0002957200000000, -0.0001022500000000 ] - [ 0.0000000000000000, 0.0005197800000000, 0.0000407500000000 ] - [ 0.0000000000000000, -0.0005121700000000, -0.0002724900000000 ] - [ 0.0000000000000000, -0.0004968900000000, 0.0004760300000000 ] - [ 0.0001562900000000, -0.0001179800000000, -0.0009046900000000 ] - [ -0.0002203000000000, 0.0000677300000000, 0.0011882700000000 ] - [ 0.0001114200000000, 0.0000941200000000, -0.0003568800000000 ] - [ 0.0002203000000000, 0.0000677300000000, 0.0011882700000000 ] - [ 0.0005050400000000, -0.0000637200000000, 0.0007841100000000 ] - [ -0.0005050400000000, -0.0000637200000000, 0.0007841100000000 ] - [ -0.0001114200000000, 0.0000941200000000, -0.0003568800000000 ] - [ -0.0001562900000000, -0.0001179800000000, -0.0009046900000000 ] - [ 0.0001964400000000, 0.0001013200000000, -0.0008237100000000 ] - [ 0.0001870000000000, -0.0002092500000000, 0.0006504100000000 ] - [ 0.0000395100000000, 0.0000993600000000, -0.0005401700000000 ] - [ -0.0001870000000000, -0.0002092500000000, 0.0006504100000000 ] - [ -0.0000250800000000, 0.0001900100000000, 0.0006045600000000 ] - [ 0.0000250800000000, 0.0001900100000000, 0.0006045600000000 ] - [ -0.0000395100000000, 0.0000993600000000, -0.0005401700000000 ] - [ -0.0001964400000000, 0.0001013200000000, -0.0008237100000000 ] - [ -0.0039181200000000, -0.0010502500000000, -0.0026972900000000 ] - [ 0.0000775600000000, -0.0005904500000000, 0.0000416000000000 ] - [ 0.0037003200000000, -0.0003633400000000, -0.0002724800000000 ] - [ 0.0003600100000000, -0.0009757500000000, 0.0010675000000000 ] - [ 0.0007073700000000, 0.0002735900000000, 0.0019611400000000 ] - [ 0.0008901500000000, -0.0005139600000000, 0.0010515700000000 ] - [ -0.0016208400000000, 0.0020679000000000, 0.0017584000000000 ] - [ -0.0008901500000000, -0.0005139600000000, 0.0010515700000000 ] - [ 0.0070170200000000, -0.0024104000000000, -0.0172196400000000 ] - [ -0.0003243200000000, -0.0000345300000000, -0.0045818300000000 ] - [ -0.0002510400000000, 0.0001695700000000, 0.0014030200000000 ] - [ 0.0016208400000000, 0.0020679000000000, 0.0017584000000000 ] - [ 0.0003243200000000, -0.0000345300000000, -0.0045818300000000 ] - [ -0.0011863600000000, -0.0022403300000000, 0.0029586100000000 ] - [ 0.0011863600000000, -0.0022403300000000, 0.0029586100000000 ] - [ -0.0003600100000000, -0.0009757500000000, 0.0010675000000000 ] - [ -0.0000591600000000, 0.0003645900000000, 0.0000757900000000 ] - [ 0.0002510400000000, 0.0001695700000000, 0.0014030200000000 ] - [ -0.0000775600000000, -0.0005904500000000, 0.0000416000000000 ] - [ -0.0007073700000000, 0.0002735900000000, 0.0019611400000000 ] - [ 0.0000591600000000, 0.0003645900000000, 0.0000757900000000 ] - [ -0.0037003200000000, -0.0003633400000000, -0.0002724800000000 ] - [ -0.0070170200000000, -0.0024104000000000, -0.0172196400000000 ] - [ 0.0039181200000000, -0.0010502500000000, -0.0026972900000000 ] - [ 0.0008107100000000, -0.0000432700000000, -0.0004251500000000 ] - [ -0.0004596900000000, 0.0005779100000000, 0.0005506600000000 ] - [ -0.0001973500000000, 0.0005435200000000, -0.0002863700000000 ] - [ 0.0001265900000000, -0.0000452100000000, 0.0001959000000000 ] - [ -0.0002683500000000, -0.0002845700000000, -0.0000004600000000 ] - [ -0.0003568800000000, -0.0004998500000000, 0.0002135200000000 ] - [ -0.0000867100000000, -0.0001774800000000, 0.0001330100000000 ] - [ 0.0003568800000000, -0.0004998500000000, 0.0002135200000000 ] - [ 0.0001693500000000, 0.0000328800000000, -0.0003392200000000 ] - [ -0.0002282400000000, 0.0001681200000000, -0.0010361300000000 ] - [ -0.0005132100000000, -0.0000758600000000, 0.0005245200000000 ] - [ 0.0000867100000000, -0.0001774800000000, 0.0001330100000000 ] - [ 0.0002282400000000, 0.0001681200000000, -0.0010361300000000 ] - [ -0.0002394900000000, 0.0005655900000000, 0.0003061900000000 ] - [ 0.0002394900000000, 0.0005655900000000, 0.0003061900000000 ] - [ -0.0001265900000000, -0.0000452100000000, 0.0001959000000000 ] - [ 0.0004874300000000, -0.0004965300000000, 0.0002066800000000 ] - [ 0.0005132100000000, -0.0000758600000000, 0.0005245200000000 ] - [ 0.0004596900000000, 0.0005779100000000, 0.0005506600000000 ] - [ 0.0002683500000000, -0.0002845700000000, -0.0000004600000000 ] - [ -0.0004874300000000, -0.0004965300000000, 0.0002066800000000 ] - [ 0.0001973500000000, 0.0005435200000000, -0.0002863700000000 ] - [ -0.0001693500000000, 0.0000328800000000, -0.0003392200000000 ] - [ -0.0008107100000000, -0.0000432700000000, -0.0004251500000000 ] - [ -0.0005503200000000, 0.0000988500000000, -0.0005343300000000 ] - [ 0.0000000000000000, 0.0030803200000000, 0.0448114600000000 ] - [ 0.0004497000000000, -0.0008476900000000, -0.0013437900000000 ] - [ 0.0011302300000000, -0.0002440900000000, -0.0004390200000000 ] - [ 0.0013150000000000, 0.0004465700000000, -0.0018787800000000 ] - [ 0.0000126800000000, -0.0010876100000000, 0.0001341900000000 ] - [ -0.0003931700000000, 0.0002148100000000, -0.0006942900000000 ] - [ 0.0000626700000000, -0.0001989600000000, 0.0013447600000000 ] - [ 0.0000000000000000, 0.0001293400000000, -0.0016456300000000 ] - [ 0.0002604300000000, 0.0002813000000000, -0.0007772000000000 ] - [ 0.0000000000000000, -0.0005016900000000, 0.0004527400000000 ] - [ -0.0000896700000000, 0.0014168500000000, -0.0006381000000000 ] - [ 0.0006643300000000, 0.0000914600000000, -0.0003179900000000 ] - [ 0.0009399100000000, -0.0000542200000000, 0.0001858100000000 ] - [ 0.0089376200000000, 0.0043984800000000, -0.0030905500000000 ] - [ -0.0004497000000000, -0.0008476900000000, -0.0013437900000000 ] - [ 0.0003396600000000, 0.0010684000000000, 0.0005333400000000 ] - [ -0.0053671800000000, -0.0045745800000000, 0.0010289800000000 ] - [ -0.0066020000000000, 0.0055582400000000, 0.0022353800000000 ] - [ -0.0006379800000000, 0.0000909200000000, -0.0002858700000000 ] - [ -0.0000626700000000, -0.0001989600000000, 0.0013447600000000 ] - [ -0.0101436600000000, -0.0039811800000000, -0.0022856700000000 ] - [ 0.0001605800000000, -0.0001688500000000, -0.0005934000000000 ] - [ -0.0011302300000000, -0.0002440900000000, -0.0004390200000000 ] - [ -0.0003178700000000, -0.0011918400000000, -0.0002854100000000 ] - [ 0.0000852800000000, -0.0004324200000000, -0.0008432000000000 ] - [ 0.0029753700000000, 0.0019397500000000, 0.0009999900000000 ] - [ 0.0066020000000000, 0.0055582400000000, 0.0022353800000000 ] - [ -0.0029753700000000, 0.0019397500000000, 0.0009999900000000 ] - [ -0.0006643300000000, 0.0000914600000000, -0.0003179900000000 ] - [ -0.0012644400000000, -0.0001670300000000, 0.0003739100000000 ] - [ 0.0000000000000000, 0.0007377900000000, -0.0006438900000000 ] - [ 0.0000000000000000, 0.0002538900000000, -0.0000010400000000 ] - [ -0.0000126800000000, -0.0010876100000000, 0.0001341900000000 ] - [ -0.0002745700000000, 0.0005169500000000, -0.0001108900000000 ] - [ -0.0006167400000000, -0.0001584700000000, -0.0007329500000000 ] - [ -0.0013150000000000, 0.0004465700000000, -0.0018787800000000 ] - [ 0.0003931700000000, 0.0002148100000000, -0.0006942900000000 ] - [ -0.0001605800000000, -0.0001688500000000, -0.0005934000000000 ] - [ 0.0002745700000000, 0.0005169500000000, -0.0001108900000000 ] - [ 0.0006379800000000, 0.0000909200000000, -0.0002858700000000 ] - [ 0.0101436600000000, -0.0039811800000000, -0.0022856700000000 ] - [ 0.0000896700000000, 0.0014168500000000, -0.0006381000000000 ] - [ -0.0002604300000000, 0.0002813000000000, -0.0007772000000000 ] - [ 0.0053671800000000, -0.0045745800000000, 0.0010289800000000 ] - [ 0.0000000000000000, -0.0025478200000000, -0.0009133700000000 ] - [ 0.0000000000000000, 0.0005152400000000, 0.0000514300000000 ] - [ 0.0012644400000000, -0.0001670300000000, 0.0003739100000000 ] - [ -0.0089376200000000, 0.0043984800000000, -0.0030905500000000 ] - [ 0.0000000000000000, -0.0004024400000000, -0.0004444400000000 ] - [ -0.0003396600000000, 0.0010684000000000, 0.0005333400000000 ] - [ -0.0009399100000000, -0.0000542200000000, 0.0001858100000000 ] - [ 0.0005503200000000, 0.0000988500000000, -0.0005343300000000 ] - [ -0.0000852800000000, -0.0004324200000000, -0.0008432000000000 ] - [ 0.0003178700000000, -0.0011918400000000, -0.0002854100000000 ] - [ 0.0006167400000000, -0.0001584700000000, -0.0007329500000000 ] - [ -0.0001027000000000, 0.0003487700000000, -0.0000510500000000 ] - [ 0.0000000000000000, 0.0005737000000000, -0.0000270700000000 ] - [ 0.0003968100000000, -0.0001387200000000, -0.0001745300000000 ] - [ 0.0000616900000000, -0.0000110900000000, 0.0000335900000000 ] - [ 0.0001502600000000, -0.0004451100000000, -0.0002447100000000 ] - [ 0.0000442900000000, -0.0003534800000000, 0.0000080000000000 ] - [ 0.0004702200000000, 0.0002566000000000, 0.0000310400000000 ] - [ 0.0001231500000000, -0.0005053400000000, 0.0005142000000000 ] - [ 0.0000000000000000, 0.0003219000000000, -0.0000385000000000 ] - [ -0.0000002700000000, 0.0004164200000000, -0.0003188200000000 ] - [ 0.0000000000000000, -0.0002721400000000, 0.0001607900000000 ] - [ -0.0000080900000000, 0.0002661500000000, -0.0002798800000000 ] - [ 0.0001340100000000, 0.0001749200000000, -0.0002527800000000 ] - [ -0.0004148900000000, -0.0001507000000000, 0.0005778800000000 ] - [ 0.0003454300000000, -0.0002624600000000, -0.0000285300000000 ] - [ -0.0003968100000000, -0.0001387200000000, -0.0001745300000000 ] - [ 0.0002609400000000, 0.0002144400000000, 0.0001747900000000 ] - [ 0.0002150600000000, 0.0005425900000000, -0.0000366600000000 ] - [ 0.0000528800000000, 0.0005137000000000, 0.0002786700000000 ] - [ -0.0008182700000000, 0.0002621600000000, -0.0003889600000000 ] - [ -0.0001231500000000, -0.0005053400000000, 0.0005142000000000 ] - [ 0.0008615000000000, 0.0000653600000000, 0.0001071000000000 ] - [ 0.0004397900000000, -0.0000061400000000, -0.0002531500000000 ] - [ -0.0000616900000000, -0.0000110900000000, 0.0000335900000000 ] - [ -0.0001404900000000, -0.0003654200000000, 0.0001044500000000 ] - [ 0.0000172600000000, -0.0004166800000000, -0.0000182200000000 ] - [ -0.0001943700000000, 0.0001728300000000, 0.0002054100000000 ] - [ -0.0000528800000000, 0.0005137000000000, 0.0002786700000000 ] - [ 0.0001943700000000, 0.0001728300000000, 0.0002054100000000 ] - [ -0.0001340100000000, 0.0001749200000000, -0.0002527800000000 ] - [ -0.0003448900000000, -0.0002528200000000, 0.0004891300000000 ] - [ 0.0000000000000000, -0.0003691300000000, -0.0000001800000000 ] - [ 0.0000000000000000, 0.0003296400000000, -0.0000582700000000 ] - [ -0.0000442900000000, -0.0003534800000000, 0.0000080000000000 ] - [ 0.0002328600000000, 0.0002254900000000, 0.0001904400000000 ] - [ 0.0001221100000000, -0.0005878000000000, -0.0000432900000000 ] - [ -0.0001502600000000, -0.0004451100000000, -0.0002447100000000 ] - [ -0.0004702200000000, 0.0002566000000000, 0.0000310400000000 ] - [ -0.0004397900000000, -0.0000061400000000, -0.0002531500000000 ] - [ -0.0002328600000000, 0.0002254900000000, 0.0001904400000000 ] - [ 0.0008182700000000, 0.0002621600000000, -0.0003889600000000 ] - [ -0.0008615000000000, 0.0000653600000000, 0.0001071000000000 ] - [ 0.0000080900000000, 0.0002661500000000, -0.0002798800000000 ] - [ 0.0000002700000000, 0.0004164200000000, -0.0003188200000000 ] - [ -0.0002150600000000, 0.0005425900000000, -0.0000366600000000 ] - [ 0.0000000000000000, -0.0005259800000000, 0.0001031900000000 ] - [ 0.0000000000000000, 0.0005471900000000, -0.0000896600000000 ] - [ 0.0003448900000000, -0.0002528200000000, 0.0004891300000000 ] - [ -0.0003454300000000, -0.0002624600000000, -0.0000285300000000 ] - [ 0.0000000000000000, -0.0005491100000000, -0.0001777400000000 ] - [ -0.0002609400000000, 0.0002144400000000, 0.0001747900000000 ] - [ 0.0004148900000000, -0.0001507000000000, 0.0005778800000000 ] - [ 0.0001027000000000, 0.0003487700000000, -0.0000510500000000 ] - [ -0.0000172600000000, -0.0004166800000000, -0.0000182200000000 ] - [ 0.0001404900000000, -0.0003654200000000, 0.0001044500000000 ] - [ -0.0001221100000000, -0.0005878000000000, -0.0000432900000000 ]- atom: 75 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002338900000000, -0.0004584700000000, 0.0008570500000000 ] - [ 0.0001759900000000, -0.0000880000000000, 0.0021166700000000 ] - [ 0.0001759900000000, 0.0000880000000000, -0.0021166700000000 ] - [ -0.0002338900000000, 0.0004584700000000, -0.0008570500000000 ] - [ -0.0023313700000000, -0.0007930800000000, -0.0014525700000000 ] - [ -0.0006193800000000, 0.0009248300000000, -0.0001184500000000 ] - [ -0.0006193800000000, -0.0009248300000000, 0.0001184500000000 ] - [ -0.0023313700000000, 0.0007930800000000, 0.0014525700000000 ] - [ 0.0012864700000000, -0.0005609300000000, -0.0002438400000000 ] - [ 0.0021333800000000, 0.0014627700000000, 0.0009045300000000 ] - [ 0.0021333800000000, -0.0014627700000000, -0.0009045300000000 ] - [ -0.0006065500000000, -0.0001788300000000, 0.0009154000000000 ] - [ 0.0012864700000000, 0.0005609300000000, 0.0002438400000000 ] - [ -0.0005008700000000, 0.0000575600000000, 0.0003890800000000 ] - [ -0.0006065500000000, 0.0001788300000000, -0.0009154000000000 ] - [ -0.0005008700000000, -0.0000575600000000, -0.0003890800000000 ] - [ -0.0002694300000000, -0.0001183200000000, -0.0006866100000000 ] - [ -0.0004495000000000, -0.0000611000000000, 0.0005965700000000 ] - [ -0.0004495000000000, 0.0000611000000000, -0.0005965700000000 ] - [ -0.0002748700000000, -0.0018556100000000, 0.0005216500000000 ] - [ -0.0002694300000000, 0.0001183200000000, 0.0006866100000000 ] - [ 0.0001937700000000, -0.0003174600000000, 0.0010085000000000 ] - [ -0.0002748700000000, 0.0018556100000000, -0.0005216500000000 ] - [ 0.0001937700000000, 0.0003174600000000, -0.0010085000000000 ] - [ -0.0008897900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0016976000000000, 0.0024636500000000, 0.0005181300000000 ] - [ -0.0026569500000000, -0.0000642600000000, 0.0005997800000000 ] - [ 0.0023491700000000, -0.0058958100000000, 0.0003561500000000 ] - [ 0.0200535300000000, 0.0036744100000000, 0.0030767800000000 ] - [ 0.0056144100000000, -0.0017889900000000, 0.0111059400000000 ] - [ -0.0003083300000000, 0.0001896700000000, -0.0006313100000000 ] - [ -0.0026569500000000, 0.0000642600000000, -0.0005997800000000 ] - [ 0.0031343900000000, 0.0006325400000000, 0.0006345800000000 ] - [ 0.0008261600000000, 0.0007824500000000, 0.0004448100000000 ] - [ -0.0047115900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0031343900000000, -0.0006325400000000, -0.0006345800000000 ] - [ -0.0000199400000000, 0.0000505800000000, 0.0001163500000000 ] - [ 0.0200535300000000, -0.0036744100000000, -0.0030767800000000 ] - [ -0.0095023900000000, 0.0017690500000000, 0.0004928900000000 ] - [ -0.0016976000000000, -0.0024636500000000, -0.0005181300000000 ] - [ -0.0000199400000000, -0.0000505800000000, -0.0001163500000000 ] - [ 0.0014655500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0023491700000000, 0.0058958100000000, -0.0003561500000000 ] - [ -0.0095023900000000, -0.0017690500000000, -0.0004928900000000 ] - [ 0.0008261600000000, -0.0007824500000000, -0.0004448100000000 ] - [ 0.0056144100000000, 0.0017889900000000, -0.0111059400000000 ] - [ -0.0003083300000000, -0.0001896700000000, 0.0006313100000000 ] - [ 0.0018514800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0020592900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0056462600000000, 0.0056292400000000, -0.0042684200000000 ] - [ 0.0030278200000000, 0.0009466100000000, 0.0001815000000000 ] - [ -0.0038658000000000, -0.0000550100000000, 0.0002060700000000 ] - [ -0.0022103700000000, -0.0010372000000000, -0.0002907400000000 ] - [ -0.0018527500000000, -0.0006817500000000, -0.0004600300000000 ] - [ -0.0000725700000000, 0.0014010000000000, 0.0006083400000000 ] - [ 0.0030278200000000, -0.0009466100000000, -0.0001815000000000 ] - [ -0.0011102000000000, -0.0003849900000000, -0.0001764200000000 ] - [ -0.0022644600000000, 0.0003702000000000, -0.0004906800000000 ] - [ 0.0030110900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0011102000000000, 0.0003849900000000, 0.0001764200000000 ] - [ -0.0013064200000000, -0.0011724700000000, -0.0015786000000000 ] - [ -0.0022103700000000, 0.0010372000000000, 0.0002907400000000 ] - [ 0.0003481400000000, 0.0035643200000000, -0.0002623500000000 ] - [ -0.0056462600000000, -0.0056292400000000, 0.0042684200000000 ] - [ -0.0013064200000000, 0.0011724700000000, 0.0015786000000000 ] - [ -0.0015941700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0038658000000000, 0.0000550100000000, -0.0002060700000000 ] - [ 0.0003481400000000, -0.0035643200000000, 0.0002623500000000 ] - [ -0.0022644600000000, -0.0003702000000000, 0.0004906800000000 ] - [ -0.0018527500000000, 0.0006817500000000, 0.0004600300000000 ] - [ -0.0000725700000000, -0.0014010000000000, -0.0006083400000000 ] - [ -0.0017751700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012615200000000, 0.0005952000000000, -0.0002117600000000 ] - [ -0.0010878000000000, 0.0008235000000000, -0.0001437100000000 ] - [ -0.0943021700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008115900000000, -0.0002265000000000, 0.0001769700000000 ] - [ 0.0011628400000000, 0.0011311400000000, 0.0005473900000000 ] - [ -0.0006234500000000, -0.0000292300000000, -0.0004169100000000 ] - [ -0.0060105900000000, -0.0013387000000000, 0.0029255000000000 ] - [ -0.0002981700000000, 0.0004033700000000, 0.0020076000000000 ] - [ 0.0117198000000000, 0.0059149800000000, 0.0067222700000000 ] - [ 0.0017036200000000, -0.0000678900000000, 0.0001835200000000 ] - [ -0.0004648400000000, -0.0004249700000000, -0.0002227100000000 ] - [ 0.0006442300000000, -0.0010868000000000, 0.0002227300000000 ] - [ 0.0019389800000000, -0.0001269900000000, -0.0003346800000000 ] - [ 0.0003575400000000, 0.0007418200000000, 0.0025303000000000 ] - [ -0.0060105900000000, 0.0013387000000000, -0.0029255000000000 ] - [ 0.0036993600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011628400000000, -0.0011311400000000, -0.0005473900000000 ] - [ 0.0004055400000000, 0.0004907500000000, -0.0005583600000000 ] - [ -0.0006234500000000, 0.0000292300000000, 0.0004169100000000 ] - [ 0.0242704700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007980000000000, -0.0005342100000000, -0.0002287500000000 ] - [ -0.0015104000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0065196200000000, 0.0042545200000000, -0.0096484000000000 ] - [ -0.0023457700000000, 0.0008368000000000, -0.0015948900000000 ] - [ -0.0009587800000000, 0.0000569400000000, 0.0006499600000000 ] - [ -0.0031033600000000, 0.0053659700000000, -0.0011225300000000 ] - [ -0.0023457700000000, -0.0008368000000000, 0.0015948900000000 ] - [ 0.0001601700000000, 0.0006019700000000, 0.0002183100000000 ] - [ 0.0008115900000000, 0.0002265000000000, -0.0001769700000000 ] - [ 0.0003575400000000, -0.0007418200000000, -0.0025303000000000 ] - [ -0.0003518500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0117198000000000, -0.0059149800000000, -0.0067222700000000 ] - [ -0.0004648400000000, 0.0004249700000000, 0.0002227100000000 ] - [ 0.0001601700000000, -0.0006019700000000, -0.0002183100000000 ] - [ -0.0002981700000000, -0.0004033700000000, -0.0020076000000000 ] - [ 0.0017036200000000, 0.0000678900000000, -0.0001835200000000 ] - [ -0.0004102600000000, 0.0065193400000000, 0.0043260500000000 ] - [ 0.0011937500000000, -0.0007679200000000, 0.0013246800000000 ] - [ 0.0012615200000000, -0.0005952000000000, 0.0002117600000000 ] - [ 0.0007980000000000, 0.0005342100000000, 0.0002287500000000 ] - [ 0.0032570400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000576100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0031033600000000, -0.0053659700000000, 0.0011225300000000 ] - [ 0.0073795000000000, -0.0106766000000000, -0.0185759700000000 ] - [ -0.0009587800000000, -0.0000569400000000, -0.0006499600000000 ] - [ -0.0010878000000000, -0.0008235000000000, 0.0001437100000000 ] - [ 0.0005371700000000, 0.0001393700000000, 0.0000401100000000 ] - [ 0.0012255200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011937500000000, 0.0007679200000000, -0.0013246800000000 ] - [ 0.0005371700000000, -0.0001393700000000, -0.0000401100000000 ] - [ -0.0004102600000000, -0.0065193400000000, -0.0043260500000000 ] - [ 0.0019389800000000, 0.0001269900000000, 0.0003346800000000 ] - [ 0.0065196200000000, -0.0042545200000000, 0.0096484000000000 ] - [ 0.0006442300000000, 0.0010868000000000, -0.0002227300000000 ] - [ 0.0004055400000000, -0.0004907500000000, 0.0005583600000000 ] - [ 0.0073795000000000, 0.0106766000000000, 0.0185759700000000 ] - [ -0.0022654500000000, 0.0000434800000000, -0.0001443900000000 ] - [ 0.0008879300000000, 0.0005941300000000, -0.0000932200000000 ] - [ 0.0014029900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006103100000000, -0.0003815600000000, 0.0001115400000000 ] - [ 0.0005147100000000, 0.0022777900000000, -0.0012432200000000 ] - [ 0.0003943700000000, -0.0005702700000000, -0.0001368800000000 ] - [ 0.0013921200000000, 0.0002628200000000, 0.0000703200000000 ] - [ 0.0005159500000000, -0.0003489200000000, -0.0002815500000000 ] - [ 0.0016123000000000, 0.0005730700000000, -0.0000007000000000 ] - [ -0.0010346700000000, 0.0013380600000000, 0.0000484300000000 ] - [ 0.0018416800000000, -0.0001830100000000, 0.0002579400000000 ] - [ 0.0005209100000000, -0.0024411300000000, 0.0002066800000000 ] - [ -0.0015354800000000, 0.0020222500000000, 0.0009376100000000 ] - [ 0.0006146400000000, -0.0008887400000000, -0.0004567500000000 ] - [ 0.0013921200000000, -0.0002628200000000, -0.0000703200000000 ] - [ -0.0015565600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005147100000000, -0.0022777900000000, 0.0012432200000000 ] - [ 0.0005313400000000, 0.0015623800000000, 0.0006312100000000 ] - [ 0.0003943700000000, 0.0005702700000000, 0.0001368800000000 ] - [ 0.0004592500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0009093500000000, -0.0005862800000000, -0.0002780800000000 ] - [ 0.0016903300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012706800000000, 0.0003077600000000, 0.0001569500000000 ] - [ 0.0005219800000000, -0.0002588500000000, 0.0001321300000000 ] - [ 0.0004015800000000, -0.0007325900000000, -0.0001414800000000 ] - [ 0.0007044700000000, -0.0000923600000000, 0.0001071800000000 ] - [ 0.0005219800000000, 0.0002588500000000, -0.0001321300000000 ] - [ 0.0000084100000000, 0.0012690100000000, 0.0002631000000000 ] - [ -0.0006103100000000, 0.0003815600000000, -0.0001115400000000 ] - [ 0.0006146400000000, 0.0008887400000000, 0.0004567500000000 ] - [ 0.0000930200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0016123000000000, -0.0005730700000000, 0.0000007000000000 ] - [ 0.0018416800000000, 0.0001830100000000, -0.0002579400000000 ] - [ 0.0000084100000000, -0.0012690100000000, -0.0002631000000000 ] - [ 0.0005159500000000, 0.0003489200000000, 0.0002815500000000 ] - [ -0.0010346700000000, -0.0013380600000000, -0.0000484300000000 ] - [ 0.0003006100000000, -0.0000819200000000, -0.0003558600000000 ] - [ -0.0014906100000000, 0.0005945400000000, -0.0002417700000000 ] - [ -0.0022654500000000, -0.0000434800000000, 0.0001443900000000 ] - [ -0.0009093500000000, 0.0005862800000000, 0.0002780800000000 ] - [ -0.0013700200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0015307700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007044700000000, 0.0000923600000000, -0.0001071800000000 ] - [ 0.0008374900000000, 0.0006433900000000, 0.0000784800000000 ] - [ 0.0004015800000000, 0.0007325900000000, 0.0001414800000000 ] - [ 0.0008879300000000, -0.0005941300000000, 0.0000932200000000 ] - [ 0.0051111800000000, 0.0000210700000000, 0.0009683100000000 ] - [ -0.0003765300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0014906100000000, -0.0005945400000000, 0.0002417700000000 ] - [ 0.0051111800000000, -0.0000210700000000, -0.0009683100000000 ] - [ 0.0003006100000000, 0.0000819200000000, 0.0003558600000000 ] - [ -0.0015354800000000, -0.0020222500000000, -0.0009376100000000 ] - [ 0.0012706800000000, -0.0003077600000000, -0.0001569500000000 ] - [ 0.0005209100000000, 0.0024411300000000, -0.0002066800000000 ] - [ 0.0005313400000000, -0.0015623800000000, -0.0006312100000000 ] - [ 0.0008374900000000, -0.0006433900000000, -0.0000784800000000 ]- atom: 75 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002186600000000, 0.0014189200000000, -0.0012990100000000 ] - [ -0.0001877300000000, 0.0010525300000000, -0.0016530900000000 ] - [ -0.0001877300000000, -0.0010525300000000, 0.0016530900000000 ] - [ 0.0002186600000000, -0.0014189200000000, 0.0012990100000000 ] - [ 0.0023042100000000, 0.0017397200000000, 0.0009779800000000 ] - [ 0.0006151700000000, 0.0000492100000000, 0.0005653800000000 ] - [ 0.0006151700000000, -0.0000492100000000, -0.0005653800000000 ] - [ 0.0023042100000000, -0.0017397200000000, -0.0009779800000000 ] - [ -0.0010732400000000, 0.0003714100000000, -0.0010283800000000 ] - [ -0.0018979200000000, -0.0016521400000000, 0.0003916500000000 ] - [ -0.0018979200000000, 0.0016521400000000, -0.0003916500000000 ] - [ 0.0004024200000000, -0.0000064800000000, 0.0003638600000000 ] - [ -0.0010732400000000, -0.0003714100000000, 0.0010283800000000 ] - [ 0.0002978700000000, 0.0001286500000000, 0.0008883200000000 ] - [ 0.0004024200000000, 0.0000064800000000, -0.0003638600000000 ] - [ 0.0002978700000000, -0.0001286500000000, -0.0008883200000000 ] - [ 0.0004647100000000, -0.0000682300000000, -0.0005929300000000 ] - [ 0.0006431400000000, -0.0001266700000000, 0.0006812000000000 ] - [ 0.0006431400000000, 0.0001266700000000, -0.0006812000000000 ] - [ 0.0000816000000000, 0.0016558800000000, 0.0007541200000000 ] - [ 0.0004647100000000, 0.0000682300000000, 0.0005929300000000 ] - [ -0.0003867300000000, 0.0005009600000000, 0.0002754800000000 ] - [ 0.0000816000000000, -0.0016558800000000, -0.0007541200000000 ] - [ -0.0003867300000000, -0.0005009600000000, -0.0002754800000000 ] - [ 0.0018937500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012742700000000, -0.0022410200000000, -0.0001666800000000 ] - [ 0.0026331200000000, 0.0008762600000000, -0.0006034200000000 ] - [ -0.0019421000000000, 0.0055879200000000, -0.0007160900000000 ] - [ -0.0203174400000000, -0.0043542300000000, -0.0036400300000000 ] - [ -0.0055023400000000, 0.0009923200000000, -0.0110160800000000 ] - [ -0.0001014600000000, -0.0004115000000000, 0.0009771000000000 ] - [ 0.0026331200000000, -0.0008762600000000, 0.0006034200000000 ] - [ -0.0027272800000000, -0.0004362300000000, -0.0009489500000000 ] - [ -0.0012990500000000, -0.0002198400000000, -0.0008540100000000 ] - [ 0.0036664500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0027272800000000, 0.0004362300000000, 0.0009489500000000 ] - [ 0.0004828000000000, 0.0005098900000000, -0.0005324600000000 ] - [ -0.0203174400000000, 0.0043542300000000, 0.0036400300000000 ] - [ 0.0099447300000000, -0.0012057400000000, -0.0000661600000000 ] - [ 0.0012742700000000, 0.0022410200000000, 0.0001666800000000 ] - [ 0.0004828000000000, -0.0005098900000000, 0.0005324600000000 ] - [ 0.0017648800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0019421000000000, -0.0055879200000000, 0.0007160900000000 ] - [ 0.0099447300000000, 0.0012057400000000, 0.0000661600000000 ] - [ -0.0012990500000000, 0.0002198400000000, 0.0008540100000000 ] - [ -0.0055023400000000, -0.0009923200000000, 0.0110160800000000 ] - [ -0.0001014600000000, 0.0004115000000000, -0.0009771000000000 ] - [ -0.0028357300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0010162300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0052024800000000, -0.0053258900000000, 0.0045310500000000 ] - [ -0.0029852000000000, -0.0001230400000000, -0.0001752700000000 ] - [ 0.0042140900000000, -0.0001683000000000, -0.0005444300000000 ] - [ 0.0017130400000000, 0.0004610400000000, -0.0001294700000000 ] - [ 0.0018327100000000, -0.0001358200000000, 0.0004572500000000 ] - [ -0.0003117500000000, -0.0016064300000000, -0.0002581000000000 ] - [ -0.0029852000000000, 0.0001230400000000, 0.0001752700000000 ] - [ 0.0014944800000000, 0.0005996400000000, -0.0001708900000000 ] - [ 0.0017714000000000, 0.0001925900000000, 0.0000647700000000 ] - [ -0.0039827600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0014944800000000, -0.0005996400000000, 0.0001708900000000 ] - [ 0.0017812700000000, 0.0017212600000000, 0.0011409900000000 ] - [ 0.0017130400000000, -0.0004610400000000, 0.0001294700000000 ] - [ 0.0001427300000000, -0.0029554100000000, 0.0006778800000000 ] - [ 0.0052024800000000, 0.0053258900000000, -0.0045310500000000 ] - [ 0.0017812700000000, -0.0017212600000000, -0.0011409900000000 ] - [ 0.0025922300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0042140900000000, 0.0001683000000000, 0.0005444300000000 ] - [ 0.0001427300000000, 0.0029554100000000, -0.0006778800000000 ] - [ 0.0017714000000000, -0.0001925900000000, -0.0000647700000000 ] - [ 0.0018327100000000, 0.0001358200000000, -0.0004572500000000 ] - [ -0.0003117500000000, 0.0016064300000000, 0.0002581000000000 ] - [ 0.0007414900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0017044500000000, -0.0002827400000000, 0.0002012600000000 ] - [ 0.0010942800000000, 0.0003042700000000, -0.0000031800000000 ] - [ 0.0918179100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003445400000000, -0.0000801500000000, -0.0001900300000000 ] - [ -0.0007670800000000, -0.0020111900000000, -0.0008553500000000 ] - [ 0.0006738500000000, -0.0008535900000000, 0.0001598500000000 ] - [ 0.0066563300000000, 0.0017043900000000, -0.0025817600000000 ] - [ 0.0003694800000000, -0.0011734000000000, -0.0021677600000000 ] - [ -0.0117642800000000, -0.0053221300000000, -0.0068083300000000 ] - [ -0.0016072000000000, 0.0008392000000000, -0.0003653700000000 ] - [ 0.0004773600000000, -0.0002217900000000, 0.0002170600000000 ] - [ -0.0006912800000000, 0.0019716100000000, -0.0004822600000000 ] - [ -0.0012145600000000, 0.0005115100000000, 0.0001035700000000 ] - [ -0.0010776900000000, -0.0011137100000000, -0.0022738900000000 ] - [ 0.0066563300000000, -0.0017043900000000, 0.0025817600000000 ] - [ -0.0044358900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007670800000000, 0.0020111900000000, 0.0008553500000000 ] - [ -0.0000099200000000, 0.0003858400000000, 0.0002478000000000 ] - [ 0.0006738500000000, 0.0008535900000000, -0.0001598500000000 ] - [ -0.0252520400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008750000000000, -0.0002417600000000, 0.0000499500000000 ] - [ 0.0030269200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0059857600000000, -0.0044667500000000, 0.0094806000000000 ] - [ 0.0018607100000000, -0.0011411900000000, 0.0015694200000000 ] - [ 0.0005619900000000, -0.0009348700000000, -0.0003330700000000 ] - [ 0.0031698800000000, -0.0061116800000000, 0.0013958100000000 ] - [ 0.0018607100000000, 0.0011411900000000, -0.0015694200000000 ] - [ -0.0002113800000000, 0.0002847300000000, 0.0000414800000000 ] - [ -0.0003445400000000, 0.0000801500000000, 0.0001900300000000 ] - [ -0.0010776900000000, 0.0011137100000000, 0.0022738900000000 ] - [ -0.0004056600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0117642800000000, 0.0053221300000000, 0.0068083300000000 ] - [ 0.0004773600000000, 0.0002217900000000, -0.0002170600000000 ] - [ -0.0002113800000000, -0.0002847300000000, -0.0000414800000000 ] - [ 0.0003694800000000, 0.0011734000000000, 0.0021677600000000 ] - [ -0.0016072000000000, -0.0008392000000000, 0.0003653700000000 ] - [ -0.0000119400000000, -0.0073184500000000, -0.0045814600000000 ] - [ -0.0018880600000000, 0.0011595400000000, -0.0010998800000000 ] - [ -0.0017044500000000, 0.0002827400000000, -0.0002012600000000 ] - [ -0.0008750000000000, 0.0002417600000000, -0.0000499500000000 ] - [ -0.0016951100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0014724400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0031698800000000, 0.0061116800000000, -0.0013958100000000 ] - [ -0.0074571400000000, 0.0112690900000000, 0.0181524600000000 ] - [ 0.0005619900000000, 0.0009348700000000, 0.0003330700000000 ] - [ 0.0010942800000000, -0.0003042700000000, 0.0000031800000000 ] - [ -0.0005099100000000, 0.0009808000000000, 0.0001025400000000 ] - [ -0.0004680300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0018880600000000, -0.0011595400000000, 0.0010998800000000 ] - [ -0.0005099100000000, -0.0009808000000000, -0.0001025400000000 ] - [ -0.0000119400000000, 0.0073184500000000, 0.0045814600000000 ] - [ -0.0012145600000000, -0.0005115100000000, -0.0001035700000000 ] - [ -0.0059857600000000, 0.0044667500000000, -0.0094806000000000 ] - [ -0.0006912800000000, -0.0019716100000000, 0.0004822600000000 ] - [ -0.0000099200000000, -0.0003858400000000, -0.0002478000000000 ] - [ -0.0074571400000000, -0.0112690900000000, -0.0181524600000000 ] - [ 0.0017830800000000, 0.0002608300000000, 0.0001306100000000 ] - [ -0.0008848000000000, 0.0005317200000000, -0.0000515000000000 ] - [ -0.0006416200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0010537600000000, 0.0000709000000000, -0.0001196400000000 ] - [ -0.0001216500000000, -0.0031136300000000, 0.0009168800000000 ] - [ -0.0003363000000000, -0.0003117500000000, -0.0001221100000000 ] - [ -0.0006703600000000, 0.0001293500000000, 0.0001526500000000 ] - [ -0.0004260000000000, -0.0004257200000000, 0.0000978300000000 ] - [ -0.0016010800000000, 0.0000760200000000, -0.0000022000000000 ] - [ 0.0011002500000000, -0.0005498900000000, -0.0002265100000000 ] - [ -0.0018279700000000, -0.0004611100000000, -0.0002563200000000 ] - [ -0.0005738300000000, 0.0032840100000000, -0.0004621200000000 ] - [ 0.0022241500000000, -0.0016043800000000, -0.0011453400000000 ] - [ -0.0013132700000000, 0.0004919700000000, 0.0006756100000000 ] - [ -0.0006703600000000, -0.0001293500000000, -0.0001526500000000 ] - [ 0.0007861000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001216500000000, 0.0031136300000000, -0.0009168800000000 ] - [ -0.0001414100000000, -0.0006783400000000, -0.0009340600000000 ] - [ -0.0003363000000000, 0.0003117500000000, 0.0001221100000000 ] - [ -0.0019857300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008136400000000, -0.0001918700000000, 0.0000920200000000 ] - [ -0.0001411500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008014300000000, -0.0006141300000000, -0.0001452600000000 ] - [ -0.0009713700000000, -0.0000513300000000, -0.0001417900000000 ] - [ -0.0007863900000000, -0.0001434000000000, 0.0004459100000000 ] - [ -0.0006425600000000, -0.0007828300000000, 0.0001515900000000 ] - [ -0.0009713700000000, 0.0000513300000000, 0.0001417900000000 ] - [ -0.0000656100000000, -0.0003783400000000, -0.0000016700000000 ] - [ 0.0010537600000000, -0.0000709000000000, 0.0001196400000000 ] - [ -0.0013132700000000, -0.0004919700000000, -0.0006756100000000 ] - [ -0.0008361800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0016010800000000, -0.0000760200000000, 0.0000022000000000 ] - [ -0.0018279700000000, 0.0004611100000000, 0.0002563200000000 ] - [ -0.0000656100000000, 0.0003783400000000, 0.0000016700000000 ] - [ -0.0004260000000000, 0.0004257200000000, -0.0000978300000000 ] - [ 0.0011002500000000, 0.0005498900000000, 0.0002265100000000 ] - [ -0.0006865200000000, -0.0007836100000000, 0.0000412300000000 ] - [ 0.0007608500000000, -0.0001974800000000, 0.0004612100000000 ] - [ 0.0017830800000000, -0.0002608300000000, -0.0001306100000000 ] - [ 0.0008136400000000, 0.0001918700000000, -0.0000920200000000 ] - [ 0.0028873000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000218200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006425600000000, 0.0007828300000000, -0.0001515900000000 ] - [ -0.0009125400000000, 0.0001368300000000, -0.0002590100000000 ] - [ -0.0007863900000000, 0.0001434000000000, -0.0004459100000000 ] - [ -0.0008848000000000, -0.0005317200000000, 0.0000515000000000 ] - [ -0.0050507000000000, 0.0010943600000000, -0.0008064600000000 ] - [ 0.0011167900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007608500000000, 0.0001974800000000, -0.0004612100000000 ] - [ -0.0050507000000000, -0.0010943600000000, 0.0008064600000000 ] - [ -0.0006865200000000, 0.0007836100000000, -0.0000412300000000 ] - [ 0.0022241500000000, 0.0016043800000000, 0.0011453400000000 ] - [ -0.0008014300000000, 0.0006141300000000, 0.0001452600000000 ] - [ -0.0005738300000000, -0.0032840100000000, 0.0004621200000000 ] - [ -0.0001414100000000, 0.0006783400000000, 0.0009340600000000 ] - [ -0.0009125400000000, -0.0001368300000000, 0.0002590100000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017428500000000, -0.0027639500000000, 0.0032708600000000 ] - [ 0.0014164200000000, 0.0013831500000000, -0.0038222300000000 ] - [ -0.0014180400000000, 0.0004096300000000, -0.0042610800000000 ] - [ 0.0017557300000000, -0.0037253200000000, 0.0037481500000000 ] - [ -0.0003237100000000, 0.0005124100000000, -0.0000058300000000 ] - [ -0.0000211200000000, 0.0003326500000000, 0.0000173100000000 ] - [ 0.0000255600000000, -0.0006262700000000, -0.0004401400000000 ] - [ 0.0003452500000000, -0.0004646300000000, 0.0004362600000000 ] - [ -0.0010492500000000, -0.0001428400000000, -0.0026709800000000 ] - [ 0.0024981900000000, -0.0019293300000000, 0.0040624900000000 ] - [ -0.0023198200000000, -0.0017157600000000, 0.0027969500000000 ] - [ -0.0004001000000000, -0.0000424000000000, 0.0011483600000000 ] - [ 0.0012373300000000, 0.0000395700000000, -0.0013870900000000 ] - [ -0.0003864800000000, 0.0000504600000000, 0.0001534500000000 ] - [ 0.0002071900000000, 0.0001454000000000, -0.0001278900000000 ] - [ 0.0001933900000000, -0.0001365000000000, -0.0011271100000000 ] - [ 0.0001615400000000, -0.0000735800000000, -0.0006952000000000 ] - [ 0.0003281200000000, -0.0001385000000000, 0.0006959200000000 ] - [ -0.0001261000000000, 0.0000481600000000, -0.0005830100000000 ] - [ -0.0013686100000000, -0.0009444900000000, 0.0008749800000000 ] - [ 0.0000384800000000, 0.0001135700000000, 0.0005829500000000 ] - [ 0.0000894900000000, 0.0001722400000000, 0.0005555300000000 ] - [ 0.0011710500000000, -0.0007734900000000, -0.0004055700000000 ] - [ -0.0002891800000000, -0.0000199000000000, -0.0007195800000000 ] - [ 0.0005221200000000, 0.0000166800000000, -0.0011796200000000 ] - [ 0.0040743800000000, -0.0030811800000000, 0.0001580400000000 ] - [ 0.0014589800000000, 0.0010892700000000, -0.0004770200000000 ] - [ 0.0012001600000000, -0.0212064400000000, -0.0001405100000000 ] - [ 0.0041920900000000, 0.0321300100000000, 0.0188260100000000 ] - [ 0.0053741600000000, 0.0072828800000000, -0.0039826000000000 ] - [ -0.0006857100000000, 0.0015122000000000, -0.0009086700000000 ] - [ -0.0014369300000000, 0.0002725400000000, -0.0004715500000000 ] - [ 0.0012029800000000, 0.0049997900000000, -0.0033738800000000 ] - [ 0.0003559300000000, -0.0017971800000000, -0.0027681400000000 ] - [ -0.0005012900000000, 0.0012050000000000, 0.0018631000000000 ] - [ -0.0008326000000000, 0.0047964700000000, -0.0030380500000000 ] - [ 0.0004864400000000, -0.0003741800000000, -0.0011083000000000 ] - [ -0.0053302300000000, 0.0343221600000000, 0.0215482000000000 ] - [ 0.0154021000000000, 0.0021488600000000, 0.0040850300000000 ] - [ -0.0044421800000000, -0.0033049900000000, -0.0001803100000000 ] - [ -0.0000028600000000, -0.0009246500000000, -0.0006849000000000 ] - [ 0.0007221400000000, 0.0183736400000000, 0.0136763400000000 ] - [ -0.0008237000000000, -0.0210557900000000, 0.0001436400000000 ] - [ -0.0148602200000000, 0.0015965300000000, 0.0036602300000000 ] - [ -0.0008416500000000, -0.0023305200000000, -0.0023401200000000 ] - [ -0.0053826300000000, 0.0081175000000000, -0.0038985500000000 ] - [ 0.0002837100000000, 0.0017431000000000, -0.0012599100000000 ] - [ -0.0005211500000000, 0.0001186700000000, -0.0044908300000000 ] - [ 0.0005079300000000, -0.0003572900000000, -0.0026148400000000 ] - [ 0.0010286300000000, 0.0013199800000000, 0.0011214400000000 ] - [ -0.0032728900000000, -0.0017641600000000, -0.0006161400000000 ] - [ 0.0000015400000000, 0.0001376300000000, 0.0001546300000000 ] - [ -0.0002676200000000, -0.0004225600000000, 0.0000538800000000 ] - [ -0.0008163800000000, -0.0009864400000000, -0.0002739900000000 ] - [ 0.0004403300000000, -0.0005526800000000, -0.0005644400000000 ] - [ 0.0032386300000000, -0.0025673000000000, -0.0006067100000000 ] - [ 0.0000931800000000, 0.0000353700000000, -0.0003719000000000 ] - [ -0.0003907300000000, 0.0003932500000000, -0.0005990900000000 ] - [ -0.0005382200000000, -0.0042723000000000, 0.0044339000000000 ] - [ 0.0003160200000000, -0.0002026600000000, -0.0000259200000000 ] - [ -0.0006202100000000, 0.0006179600000000, -0.0013552600000000 ] - [ -0.0001980100000000, 0.0001189600000000, 0.0004723300000000 ] - [ 0.0002318900000000, -0.0004756400000000, 0.0009306700000000 ] - [ -0.0013744600000000, 0.0011484600000000, 0.0007264800000000 ] - [ 0.0011158800000000, 0.0000514800000000, -0.0009500700000000 ] - [ 0.0005259300000000, -0.0011413300000000, 0.0015143700000000 ] - [ 0.0004346200000000, 0.0003677000000000, 0.0005048200000000 ] - [ 0.0002434000000000, -0.0009890600000000, 0.0005086700000000 ] - [ -0.0000752900000000, -0.0001610100000000, -0.0001821200000000 ] - [ 0.0008351300000000, -0.0001773100000000, -0.0002777300000000 ] - [ -0.0008434000000000, -0.0003046900000000, -0.0009082200000000 ] - [ -0.0005092000000000, -0.0000772400000000, -0.0008252300000000 ] - [ -0.0003216600000000, -0.0001687400000000, -0.0004685900000000 ] - [ -0.0007915800000000, -0.0001767200000000, 0.0007765300000000 ] - [ 0.0009803000000000, -0.1391347000000000, -0.1025387900000000 ] - [ 0.0004801300000000, -0.0002961300000000, 0.0005556800000000 ] - [ 0.0015032200000000, 0.0009999900000000, 0.0003113600000000 ] - [ 0.0000569000000000, -0.0006542300000000, 0.0020985000000000 ] - [ -0.0020809800000000, -0.0083586800000000, 0.0071060600000000 ] - [ 0.0007556600000000, -0.0009417600000000, 0.0022166000000000 ] - [ 0.0245700300000000, -0.0004121000000000, 0.0036523000000000 ] - [ 0.0018112200000000, -0.0006650900000000, -0.0005631400000000 ] - [ -0.0005238400000000, -0.0000431300000000, 0.0000874100000000 ] - [ -0.0011519300000000, 0.0018834800000000, -0.0011581700000000 ] - [ 0.0007991100000000, -0.0000272500000000, -0.0001637300000000 ] - [ 0.0013209100000000, -0.0015739900000000, -0.0002131000000000 ] - [ 0.0028169600000000, -0.0088066700000000, 0.0068304400000000 ] - [ -0.0003815200000000, -0.0056709400000000, -0.0056530200000000 ] - [ -0.0011167800000000, 0.0018775900000000, 0.0006273800000000 ] - [ 0.0003576800000000, 0.0000446000000000, -0.0006511800000000 ] - [ 0.0000036700000000, 0.0002404300000000, 0.0023565800000000 ] - [ -0.0008988800000000, 0.0014011200000000, -0.0013106700000000 ] - [ -0.0001733600000000, -0.0004991200000000, 0.0004099300000000 ] - [ 0.0007761200000000, 0.0000997300000000, 0.0017910500000000 ] - [ 0.0055242600000000, -0.0018857700000000, -0.0052358600000000 ] - [ -0.0006667300000000, -0.0011587900000000, 0.0024063700000000 ] - [ -0.0000356900000000, -0.0011209600000000, -0.0016461900000000 ] - [ 0.0012957100000000, 0.0260624200000000, -0.0007903200000000 ] - [ 0.0002255900000000, -0.0008456900000000, 0.0024076300000000 ] - [ 0.0001503900000000, 0.0005086400000000, 0.0011420400000000 ] - [ -0.0000285800000000, 0.0000093400000000, 0.0005661300000000 ] - [ -0.0020371200000000, -0.0011707500000000, -0.0004141400000000 ] - [ -0.0003769700000000, -0.0007456500000000, 0.0011468500000000 ] - [ -0.0247426900000000, -0.0011252500000000, 0.0036405200000000 ] - [ 0.0005253200000000, 0.0005995300000000, 0.0000861800000000 ] - [ -0.0002066400000000, -0.0003765000000000, 0.0008821200000000 ] - [ -0.0006722000000000, -0.0001596600000000, 0.0024160000000000 ] - [ -0.0017426700000000, -0.0014440900000000, -0.0003803900000000 ] - [ -0.0019918200000000, 0.0168623600000000, 0.0095221600000000 ] - [ 0.0012364000000000, -0.0014796900000000, 0.0014624800000000 ] - [ -0.0001473300000000, -0.0004720300000000, -0.0004597600000000 ] - [ 0.0000825900000000, 0.0002724400000000, 0.0005916400000000 ] - [ 0.0007591800000000, -0.0000847200000000, -0.0002462500000000 ] - [ -0.0007712300000000, -0.0001258100000000, 0.0007464500000000 ] - [ -0.0012620800000000, 0.0273343400000000, -0.0010656200000000 ] - [ -0.0183003200000000, 0.0000359600000000, 0.0115486500000000 ] - [ -0.0003505500000000, -0.0002303200000000, -0.0019525600000000 ] - [ 0.0008055100000000, -0.0013003400000000, 0.0009234600000000 ] - [ -0.0053626200000000, 0.0032084600000000, -0.0001805100000000 ] - [ 0.0003722600000000, -0.0003178100000000, 0.0004241700000000 ] - [ -0.0019585500000000, -0.0018798200000000, 0.0012472600000000 ] - [ 0.0053289800000000, 0.0020759000000000, -0.0003290500000000 ] - [ 0.0016198100000000, 0.0178299000000000, 0.0098994400000000 ] - [ -0.0001021200000000, -0.0004211800000000, 0.0000580100000000 ] - [ -0.0050965600000000, -0.0015519100000000, -0.0053059300000000 ] - [ 0.0010912600000000, 0.0009928000000000, -0.0008928200000000 ] - [ 0.0000307800000000, -0.0008320600000000, -0.0003472900000000 ] - [ 0.0183266900000000, -0.0008152100000000, 0.0117447000000000 ] - [ 0.0025091700000000, 0.0035196500000000, -0.0011106800000000 ] - [ 0.0003523100000000, 0.0006854800000000, 0.0000669100000000 ] - [ 0.0003707900000000, 0.0000156700000000, -0.0002016000000000 ] - [ -0.0004000100000000, 0.0004749800000000, 0.0010645700000000 ] - [ 0.0002231300000000, -0.0004164000000000, -0.0003209500000000 ] - [ 0.0000076500000000, -0.0004141200000000, 0.0000325900000000 ] - [ 0.0005823200000000, 0.0003157500000000, 0.0000577800000000 ] - [ -0.0000991300000000, -0.0003020500000000, 0.0002979000000000 ] - [ 0.0000110700000000, 0.0004004200000000, -0.0000807800000000 ] - [ 0.0001784200000000, 0.0017878900000000, -0.0014185200000000 ] - [ 0.0004000200000000, -0.0003752100000000, 0.0000754000000000 ] - [ -0.0003865400000000, 0.0006727200000000, -0.0008337500000000 ] - [ -0.0019160300000000, 0.0061252400000000, 0.0030520400000000 ] - [ -0.0010895600000000, 0.0012079400000000, 0.0009352400000000 ] - [ 0.0001174500000000, -0.0000752300000000, -0.0001660300000000 ] - [ -0.0003685600000000, 0.0002367300000000, -0.0003880600000000 ] - [ 0.0001654700000000, 0.0004859700000000, -0.0000226500000000 ] - [ 0.0007546800000000, 0.0006994900000000, 0.0004353400000000 ] - [ 0.0000439100000000, 0.0004689800000000, 0.0002937300000000 ] - [ -0.0007753900000000, 0.0018271000000000, -0.0013116600000000 ] - [ 0.0003047700000000, -0.0000246700000000, 0.0011576800000000 ] - [ 0.0007655300000000, 0.0001604100000000, 0.0002350200000000 ] - [ 0.0013215200000000, 0.0008244500000000, -0.0003937700000000 ] - [ -0.0001253300000000, 0.0000067800000000, 0.0003275700000000 ] - [ -0.0001646200000000, -0.0004042000000000, 0.0002558800000000 ] - [ 0.0000103800000000, -0.0004119600000000, -0.0000920600000000 ] - [ -0.0003380800000000, 0.0003116500000000, 0.0003399600000000 ] - [ 0.0000281100000000, 0.0004633400000000, 0.0005154100000000 ] - [ 0.0008661500000000, 0.0007774700000000, 0.0010784700000000 ] - [ 0.0003677800000000, 0.0015910900000000, 0.0007028300000000 ] - [ -0.0003781500000000, -0.0002375000000000, 0.0005224900000000 ] - [ -0.0000208300000000, -0.0002417400000000, -0.0000784500000000 ] - [ -0.0004165200000000, 0.0002720200000000, 0.0000798300000000 ] - [ -0.0000829900000000, -0.0004125500000000, 0.0002549100000000 ] - [ 0.0001787200000000, 0.0004707100000000, 0.0004768700000000 ] - [ -0.0000799700000000, 0.0010261100000000, -0.0012308000000000 ] - [ -0.0001669300000000, -0.0004495000000000, -0.0001931400000000 ] - [ -0.0011616400000000, 0.0005611000000000, -0.0000716800000000 ] - [ -0.0029379100000000, 0.0032086900000000, -0.0011060200000000 ] - [ -0.0003820800000000, 0.0007436000000000, 0.0013337700000000 ] - [ 0.0007796200000000, 0.0063759200000000, -0.0039035000000000 ] - [ -0.0007643900000000, 0.0003886000000000, 0.0006066600000000 ] - [ 0.0000382000000000, 0.0004768700000000, -0.0003534300000000 ] - [ -0.0000566700000000, 0.0006703900000000, -0.0004713000000000 ] - [ -0.0002319300000000, 0.0004664000000000, -0.0000556800000000 ] - [ -0.0003576300000000, -0.0004386900000000, 0.0002113300000000 ] - [ -0.0004908900000000, 0.0003440900000000, -0.0000973600000000 ] - [ 0.0003785900000000, -0.0005372600000000, 0.0013945900000000 ] - [ 0.0004665500000000, 0.0001731500000000, -0.0002969200000000 ] - [ 0.0004434300000000, -0.0007874200000000, -0.0002326000000000 ] - [ -0.0002283300000000, 0.0004289700000000, 0.0001132700000000 ] - [ 0.0026468400000000, 0.0057703200000000, 0.0033030000000000 ] - [ -0.0008761400000000, 0.0011337700000000, -0.0004010800000000 ] - [ 0.0003278800000000, -0.0002429000000000, -0.0005704000000000 ] - [ -0.0003647200000000, -0.0001649600000000, 0.0007490000000000 ] - [ -0.0000363000000000, -0.0000990800000000, -0.0002868100000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006140400000000, -0.0010773800000000, 0.0027543300000000 ] - [ 0.0017274200000000, 0.0006510400000000, -0.0043313200000000 ] - [ -0.0017241700000000, -0.0003132600000000, -0.0047728400000000 ] - [ 0.0006137500000000, -0.0020386100000000, 0.0032156000000000 ] - [ -0.0003731900000000, 0.0002536600000000, 0.0003920700000000 ] - [ -0.0000910800000000, 0.0004129200000000, -0.0002116100000000 ] - [ 0.0000955600000000, -0.0005475500000000, -0.0006692600000000 ] - [ 0.0003928400000000, -0.0007214900000000, 0.0008343300000000 ] - [ -0.0008553000000000, -0.0004373100000000, -0.0027012600000000 ] - [ 0.0008364500000000, 0.0015460500000000, 0.0026749700000000 ] - [ -0.0006467700000000, 0.0017669600000000, 0.0013880000000000 ] - [ -0.0003275800000000, -0.0000220200000000, 0.0011814200000000 ] - [ 0.0010444700000000, -0.0002509100000000, -0.0014219800000000 ] - [ -0.0003519300000000, 0.0000403100000000, 0.0001224300000000 ] - [ 0.0001338700000000, 0.0001652400000000, -0.0000954400000000 ] - [ 0.0001589900000000, -0.0001472900000000, -0.0011578000000000 ] - [ 0.0001666600000000, -0.0000607000000000, -0.0007453000000000 ] - [ 0.0003328000000000, -0.0001537800000000, 0.0007392900000000 ] - [ -0.0001309800000000, 0.0000337800000000, -0.0005399800000000 ] - [ -0.0013536300000000, -0.0011530100000000, 0.0011692700000000 ] - [ 0.0000334000000000, 0.0001261400000000, 0.0005332200000000 ] - [ 0.0001802500000000, 0.0003434900000000, 0.0002616000000000 ] - [ 0.0011593800000000, -0.0009778200000000, -0.0001120000000000 ] - [ -0.0003803400000000, 0.0001540200000000, -0.0010136000000000 ] - [ 0.0005225100000000, -0.0000924100000000, -0.0015176700000000 ] - [ 0.0031568100000000, -0.0030728700000000, 0.0004736100000000 ] - [ 0.0015178700000000, 0.0009727300000000, -0.0004738500000000 ] - [ 0.0005484100000000, -0.0152732900000000, 0.0030623700000000 ] - [ 0.0054427400000000, 0.0184320400000000, 0.0321080600000000 ] - [ 0.0096674100000000, 0.0034111800000000, -0.0068836900000000 ] - [ -0.0017172200000000, 0.0014660400000000, -0.0011254000000000 ] - [ -0.0014961200000000, 0.0001543800000000, -0.0004690000000000 ] - [ 0.0023824300000000, 0.0081917800000000, -0.0079731400000000 ] - [ 0.0000144200000000, 0.0004711000000000, -0.0030571100000000 ] - [ -0.0005016200000000, 0.0010651300000000, 0.0021285900000000 ] - [ -0.0019933000000000, 0.0079153400000000, -0.0076132700000000 ] - [ 0.0008379400000000, 0.0000803400000000, -0.0012958700000000 ] - [ -0.0066403600000000, 0.0212716100000000, 0.0343077800000000 ] - [ 0.0158992300000000, 0.0015169100000000, 0.0046580400000000 ] - [ -0.0035451400000000, -0.0032878000000000, 0.0001292200000000 ] - [ -0.0003532100000000, -0.0004747100000000, -0.0008752400000000 ] - [ 0.0007405100000000, 0.0101972700000000, 0.0235094100000000 ] - [ -0.0001627400000000, -0.0150558800000000, 0.0034081700000000 ] - [ -0.0153470400000000, 0.0009731900000000, 0.0042305900000000 ] - [ -0.0005056100000000, -0.0000859000000000, -0.0026380700000000 ] - [ -0.0097191100000000, 0.0042460800000000, -0.0067618400000000 ] - [ 0.0013255600000000, 0.0017016900000000, -0.0014741600000000 ] - [ -0.0005292500000000, 0.0002547600000000, -0.0077714900000000 ] - [ 0.0005088200000000, -0.0002371200000000, -0.0028172900000000 ] - [ -0.0026917500000000, 0.0014816000000000, 0.0021793300000000 ] - [ -0.0025139700000000, -0.0010978700000000, -0.0005781800000000 ] - [ 0.0007476200000000, 0.0002292800000000, 0.0001852900000000 ] - [ -0.0000179800000000, -0.0001710200000000, 0.0001872500000000 ] - [ -0.0007596800000000, -0.0008817800000000, -0.0002365300000000 ] - [ 0.0004240300000000, -0.0007584000000000, -0.0006760400000000 ] - [ 0.0024944100000000, -0.0019069700000000, -0.0005815500000000 ] - [ 0.0000255100000000, 0.0000214000000000, -0.0004165900000000 ] - [ -0.0006358000000000, 0.0003129700000000, -0.0007979000000000 ] - [ -0.0005269500000000, -0.0029550000000000, 0.0043743400000000 ] - [ 0.0003822400000000, -0.0002140000000000, -0.0000709400000000 ] - [ -0.0012165700000000, 0.0000771200000000, -0.0022671100000000 ] - [ -0.0004501300000000, 0.0003729500000000, 0.0006064400000000 ] - [ 0.0001062000000000, 0.0006477100000000, 0.0011503800000000 ] - [ 0.0023383600000000, 0.0013007300000000, 0.0017850700000000 ] - [ 0.0017062200000000, -0.0004832000000000, -0.0018612800000000 ] - [ 0.0005234700000000, -0.0009828700000000, 0.0015531600000000 ] - [ -0.0003145000000000, 0.0004611300000000, 0.0005356300000000 ] - [ 0.0003780300000000, 0.0001254700000000, 0.0007264300000000 ] - [ 0.0001664200000000, -0.0002392200000000, -0.0003807200000000 ] - [ 0.0007748700000000, -0.0000700500000000, -0.0002376200000000 ] - [ -0.0008228200000000, -0.0005182900000000, -0.0010184400000000 ] - [ -0.0005097600000000, -0.0000298300000000, -0.0009549900000000 ] - [ -0.0002071300000000, -0.0000577700000000, -0.0005817900000000 ] - [ -0.0021325000000000, -0.0001506900000000, 0.0012736600000000 ] - [ 0.0009271100000000, -0.1025391700000000, -0.1456732600000000 ] - [ 0.0006343800000000, -0.0001887600000000, 0.0006748700000000 ] - [ 0.0015424400000000, 0.0012837200000000, 0.0002644100000000 ] - [ 0.0000560900000000, -0.0015511000000000, 0.0028516300000000 ] - [ -0.0041715800000000, -0.0063587300000000, 0.0200020200000000 ] - [ 0.0012956700000000, -0.0003302100000000, 0.0041080500000000 ] - [ 0.0257675600000000, 0.0027547600000000, 0.0026203500000000 ] - [ 0.0018394500000000, -0.0005915800000000, -0.0006582600000000 ] - [ -0.0007937500000000, -0.0002587100000000, 0.0001960500000000 ] - [ -0.0009452400000000, 0.0021374500000000, -0.0015152900000000 ] - [ 0.0007117500000000, 0.0000810700000000, -0.0000777200000000 ] - [ 0.0028284600000000, -0.0007448300000000, 0.0006206700000000 ] - [ 0.0049357400000000, -0.0067977300000000, 0.0200408400000000 ] - [ -0.0003814200000000, -0.0056524900000000, -0.0059574000000000 ] - [ -0.0011573500000000, 0.0021703800000000, 0.0005790400000000 ] - [ 0.0001633600000000, -0.0000774700000000, -0.0004769800000000 ] - [ 0.0000036600000000, -0.0006734200000000, 0.0031143400000000 ] - [ -0.0008920700000000, -0.0004788800000000, -0.0003594900000000 ] - [ -0.0001299800000000, -0.0004699900000000, 0.0005162300000000 ] - [ 0.0007789100000000, 0.0006521000000000, 0.0040708400000000 ] - [ -0.0051103200000000, -0.0024794600000000, -0.0006300300000000 ] - [ -0.0011046400000000, -0.0010444400000000, 0.0037443100000000 ] - [ 0.0001402900000000, -0.0026340800000000, -0.0003535500000000 ] - [ -0.0003592200000000, 0.0115512800000000, -0.0077097900000000 ] - [ 0.0006687900000000, -0.0007332700000000, 0.0037399500000000 ] - [ 0.0000951200000000, 0.0003699200000000, 0.0013170500000000 ] - [ -0.0001832600000000, 0.0001172000000000, 0.0006849400000000 ] - [ -0.0035371000000000, -0.0003390500000000, 0.0004192600000000 ] - [ -0.0003743600000000, -0.0011469900000000, 0.0018927400000000 ] - [ -0.0259741500000000, 0.0021003500000000, 0.0026035000000000 ] - [ 0.0007949300000000, 0.0003864000000000, 0.0001970400000000 ] - [ -0.0001521900000000, -0.0005114500000000, 0.0010573200000000 ] - [ -0.0012046100000000, 0.0004465100000000, 0.0043055800000000 ] - [ -0.0017712000000000, -0.0013696800000000, -0.0004745800000000 ] - [ -0.0020786300000000, 0.0157356500000000, 0.0090593600000000 ] - [ 0.0013895000000000, -0.0012245800000000, 0.0013455200000000 ] - [ -0.0002615800000000, -0.0003612100000000, -0.0005728800000000 ] - [ 0.0000395100000000, 0.0003017100000000, 0.0006985200000000 ] - [ 0.0007593600000000, 0.0000857700000000, -0.0004291800000000 ] - [ -0.0007717800000000, 0.0001025700000000, 0.0010085600000000 ] - [ 0.0004429000000000, 0.0124254100000000, -0.0080977600000000 ] - [ -0.0190266700000000, 0.0057149700000000, 0.0064112400000000 ] - [ -0.0005262600000000, -0.0017691100000000, -0.0006744700000000 ] - [ 0.0021293400000000, -0.0012722300000000, 0.0014192500000000 ] - [ -0.0039017100000000, 0.0025723400000000, -0.0004191900000000 ] - [ 0.0003722300000000, -0.0004236400000000, 0.0005936300000000 ] - [ -0.0021117400000000, -0.0016223400000000, 0.0011286500000000 ] - [ 0.0038997400000000, 0.0014436800000000, -0.0005637800000000 ] - [ 0.0017069200000000, 0.0166648100000000, 0.0094389800000000 ] - [ -0.0000140300000000, -0.0003131200000000, 0.0001439200000000 ] - [ 0.0055484200000000, -0.0021640300000000, -0.0007233400000000 ] - [ 0.0008868000000000, 0.0012394200000000, -0.0012467700000000 ] - [ 0.0002261400000000, -0.0009495600000000, -0.0001694400000000 ] - [ 0.0190833000000000, 0.0049973800000000, 0.0065101400000000 ] - [ 0.0017911700000000, 0.0029404900000000, -0.0012090000000000 ] - [ 0.0004253600000000, 0.0006917500000000, 0.0001029600000000 ] - [ 0.0003715400000000, -0.0002015000000000, -0.0003886600000000 ] - [ -0.0002977100000000, 0.0004774400000000, 0.0010719500000000 ] - [ -0.0001255700000000, -0.0011380200000000, -0.0001867300000000 ] - [ -0.0000046400000000, -0.0003471100000000, 0.0001266800000000 ] - [ 0.0005234900000000, 0.0002588100000000, 0.0000862800000000 ] - [ -0.0001550800000000, -0.0003919000000000, 0.0003314400000000 ] - [ -0.0002758100000000, 0.0002878100000000, -0.0001003300000000 ] - [ 0.0000677500000000, 0.0009522100000000, -0.0013386000000000 ] - [ 0.0008189500000000, -0.0003137500000000, 0.0001651700000000 ] - [ -0.0001449200000000, 0.0000371300000000, -0.0012251700000000 ] - [ -0.0012667400000000, 0.0039783700000000, 0.0019682100000000 ] - [ -0.0010494300000000, 0.0009272900000000, 0.0007885700000000 ] - [ 0.0001780100000000, -0.0001321500000000, -0.0001379200000000 ] - [ -0.0003720700000000, -0.0003881800000000, -0.0008434200000000 ] - [ 0.0005147400000000, -0.0002415400000000, 0.0001118500000000 ] - [ 0.0008405400000000, 0.0009682500000000, 0.0004572500000000 ] - [ 0.0000564300000000, 0.0005377800000000, 0.0003880000000000 ] - [ -0.0007723300000000, 0.0015977700000000, -0.0012960800000000 ] - [ 0.0003446400000000, -0.0004111500000000, 0.0011216400000000 ] - [ 0.0007659000000000, 0.0001754700000000, 0.0002951500000000 ] - [ 0.0012137100000000, 0.0007390200000000, -0.0004204200000000 ] - [ -0.0001540700000000, 0.0000011500000000, 0.0003609500000000 ] - [ -0.0001753300000000, -0.0003725900000000, 0.0002392200000000 ] - [ -0.0000317800000000, -0.0005139800000000, -0.0002143000000000 ] - [ -0.0003089600000000, 0.0003069400000000, 0.0003724100000000 ] - [ 0.0000536000000000, 0.0007375400000000, 0.0007823500000000 ] - [ 0.0007611200000000, 0.0007824100000000, 0.0010821700000000 ] - [ 0.0003311900000000, 0.0013129600000000, 0.0005596300000000 ] - [ -0.0003780000000000, -0.0005222300000000, 0.0007705100000000 ] - [ 0.0002647400000000, -0.0003551800000000, -0.0000983900000000 ] - [ -0.0008311000000000, 0.0003330200000000, 0.0001698600000000 ] - [ -0.0001079500000000, -0.0001430000000000, 0.0005218400000000 ] - [ 0.0002352000000000, 0.0003823700000000, 0.0005115700000000 ] - [ 0.0000242400000000, 0.0001873900000000, -0.0011555100000000 ] - [ -0.0002110400000000, -0.0005951800000000, -0.0001361500000000 ] - [ -0.0009880800000000, 0.0003660800000000, 0.0000244800000000 ] - [ -0.0022346600000000, 0.0026327700000000, -0.0011995900000000 ] - [ -0.0004222000000000, 0.0003621000000000, 0.0013034700000000 ] - [ 0.0007738200000000, 0.0047803800000000, -0.0033875400000000 ] - [ -0.0007656600000000, 0.0004701300000000, 0.0007129700000000 ] - [ 0.0000808000000000, 0.0003731200000000, -0.0004757100000000 ] - [ -0.0000961300000000, 0.0005822300000000, -0.0005051700000000 ] - [ -0.0002208400000000, 0.0005001400000000, -0.0000720100000000 ] - [ -0.0004312700000000, -0.0004327300000000, 0.0002478600000000 ] - [ 0.0011938300000000, 0.0006491700000000, -0.0003068500000000 ] - [ 0.0003795900000000, -0.0013947300000000, 0.0019858700000000 ] - [ 0.0002865300000000, -0.0000216700000000, -0.0002023100000000 ] - [ -0.0012360400000000, -0.0004817200000000, -0.0004420500000000 ] - [ -0.0001840700000000, 0.0002819800000000, 0.0001704200000000 ] - [ 0.0019869800000000, 0.0035899600000000, 0.0021971100000000 ] - [ -0.0007647700000000, 0.0010483000000000, -0.0004282800000000 ] - [ 0.0000867000000000, -0.0008727800000000, -0.0009622000000000 ] - [ -0.0004502000000000, 0.0000989100000000, 0.0007701500000000 ] - [ 0.0000041800000000, -0.0001886000000000, -0.0003213600000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005888600000000, 0.0006825300000000, -0.0009873600000000 ] - [ 0.0005024200000000, 0.0002562700000000, 0.0003592300000000 ] - [ 0.0084664200000000, 0.0027654100000000, -0.0038021200000000 ] - [ 0.0006612300000000, 0.0001300600000000, 0.0002893900000000 ] - [ -0.0004749500000000, 0.0004705300000000, -0.0001523300000000 ] - [ -0.0004570700000000, 0.0004365800000000, 0.0000934400000000 ] - [ -0.0005073600000000, -0.0005499800000000, -0.0002854500000000 ] - [ -0.0006998400000000, -0.0004387300000000, 0.0003684000000000 ] - [ 0.0000196800000000, -0.0001399600000000, -0.0006113500000000 ] - [ -0.0001306200000000, -0.0000743700000000, 0.0004610500000000 ] - [ -0.0000093200000000, 0.0000598600000000, -0.0006653300000000 ] - [ 0.0002631600000000, -0.0001595300000000, 0.0006763400000000 ] - [ -0.0004374200000000, 0.0002122000000000, 0.0008720600000000 ] - [ 0.0058336700000000, 0.0000671500000000, 0.0024602400000000 ] - [ 0.0002503800000000, 0.0001248000000000, -0.0005531500000000 ] - [ 0.0001123300000000, -0.0001008600000000, -0.0006950600000000 ] - [ 0.0000923000000000, -0.0000916500000000, -0.0008169700000000 ] - [ 0.0000552700000000, -0.0000669600000000, 0.0006868200000000 ] - [ -0.0015255300000000, 0.0000562500000000, 0.0003505700000000 ] - [ -0.0002578100000000, -0.0001061600000000, 0.0006368400000000 ] - [ 0.0000100600000000, 0.0000863300000000, 0.0005745900000000 ] - [ -0.0002801100000000, 0.0000567600000000, 0.0006458000000000 ] - [ -0.0004003000000000, 0.0000958300000000, -0.0006486800000000 ] - [ -0.0002848400000000, -0.0000603000000000, -0.0006436200000000 ] - [ 0.0018404400000000, 0.0013086500000000, -0.0022101300000000 ] - [ 0.0010350300000000, 0.0001456600000000, -0.0000879200000000 ] - [ 0.0006249800000000, 0.0002343800000000, 0.0003537200000000 ] - [ -0.0032631500000000, 0.0013997800000000, -0.0004604500000000 ] - [ -0.0050364700000000, -0.0012759900000000, -0.0018737500000000 ] - [ -0.0015478000000000, -0.0007075600000000, 0.0001366800000000 ] - [ 0.0023926000000000, 0.0002965000000000, -0.0006773300000000 ] - [ -0.0004898900000000, 0.0044410500000000, -0.0016036700000000 ] - [ -0.0000223600000000, -0.0002256100000000, 0.0007652500000000 ] - [ 0.0000572600000000, 0.0013733300000000, 0.0004783000000000 ] - [ 0.0003532900000000, 0.0018189400000000, 0.0030949900000000 ] - [ 0.0001356000000000, -0.0012062500000000, 0.0004416500000000 ] - [ 0.0017794900000000, 0.0007420200000000, -0.0004960900000000 ] - [ 0.0002927100000000, -0.0004921700000000, -0.0005780100000000 ] - [ 0.0017052900000000, 0.0002366200000000, 0.0001886200000000 ] - [ 0.0223628200000000, -0.0012192600000000, 0.0008344600000000 ] - [ 0.0021169000000000, -0.0004170400000000, -0.0000707200000000 ] - [ -0.0007375400000000, -0.0002275900000000, -0.0003296300000000 ] - [ 0.0005233300000000, 0.0001626800000000, -0.0000881100000000 ] - [ 0.0194378800000000, 0.0009523500000000, 0.0008005800000000 ] - [ 0.0002465900000000, -0.0000882800000000, 0.0005397700000000 ] - [ -0.0006998600000000, 0.0003674500000000, 0.0000600100000000 ] - [ 0.0017835900000000, -0.0000081200000000, -0.0000551700000000 ] - [ -0.0019462300000000, -0.0000942800000000, 0.0002200000000000 ] - [ -0.0001822300000000, 0.0000598700000000, 0.0001556300000000 ] - [ -0.0011702200000000, 0.0002997000000000, 0.0001885200000000 ] - [ -0.0005884400000000, 0.0004737400000000, -0.0001435200000000 ] - [ -0.0010200800000000, 0.0003483600000000, 0.0000370000000000 ] - [ -0.0013850000000000, -0.0004848600000000, -0.0000357200000000 ] - [ 0.0002878900000000, -0.0047017100000000, -0.0016037100000000 ] - [ -0.0015120800000000, -0.0002235000000000, 0.0003411600000000 ] - [ -0.0012695500000000, -0.0000785100000000, 0.0003825600000000 ] - [ -0.0004222500000000, 0.0000002900000000, -0.0003268900000000 ] - [ -0.0010019900000000, 0.0005225000000000, -0.0005592700000000 ] - [ -0.0015234500000000, 0.0002970300000000, -0.0004059800000000 ] - [ -0.0021117900000000, -0.0004988900000000, -0.0003137800000000 ] - [ -0.0007464800000000, 0.0001175800000000, -0.0001332100000000 ] - [ -0.0010293000000000, 0.0001976300000000, 0.0006482200000000 ] - [ -0.0007289200000000, 0.0002026600000000, 0.0000884500000000 ] - [ -0.0013730900000000, -0.0003366100000000, -0.0002519900000000 ] - [ -0.0012688100000000, -0.0000572500000000, 0.0001101800000000 ] - [ 0.0018175100000000, -0.0023371200000000, 0.0037101600000000 ] - [ -0.0005903700000000, 0.0000941700000000, 0.0005295500000000 ] - [ -0.0009029400000000, -0.0001652100000000, -0.0001059800000000 ] - [ -0.0025375500000000, 0.0001743800000000, -0.0001980200000000 ] - [ 0.0005392700000000, 0.0005083000000000, 0.0000928800000000 ] - [ -0.0009911400000000, 0.0001870200000000, -0.0002419400000000 ] - [ -0.0000826300000000, -0.0010930400000000, -0.0020782200000000 ] - [ -0.0002031000000000, 0.0003485600000000, -0.0006594000000000 ] - [ -0.0011301000000000, 0.0005509300000000, -0.0012118000000000 ] - [ 0.0013437500000000, 0.0013197200000000, 0.0013599700000000 ] - [ -0.0005560700000000, -0.0008245200000000, 0.0005450800000000 ] - [ -0.0550145600000000, -0.0062160100000000, -0.0063983500000000 ] - [ 0.0000060700000000, -0.0002396800000000, -0.0002969800000000 ] - [ 0.0013712500000000, 0.0010728800000000, -0.0001888400000000 ] - [ 0.0004380000000000, -0.0002135000000000, -0.0002607300000000 ] - [ 0.0043871900000000, 0.0072527500000000, 0.0067568000000000 ] - [ 0.0046056400000000, -0.0074432200000000, -0.0055541700000000 ] - [ -0.0011469200000000, -0.0003924000000000, -0.0000555300000000 ] - [ -0.0003978300000000, 0.0005210300000000, -0.0001916000000000 ] - [ 0.0010951100000000, -0.0001632900000000, -0.0001958700000000 ] - [ 0.0001427000000000, -0.0002035500000000, 0.0001119500000000 ] - [ 0.0005829600000000, -0.0000062200000000, -0.0002003200000000 ] - [ -0.0005518800000000, 0.0017656700000000, 0.0018602700000000 ] - [ -0.0002056200000000, 0.0005392400000000, 0.0003157900000000 ] - [ -0.0000907400000000, 0.0003897400000000, -0.0000703900000000 ] - [ 0.0007757200000000, -0.0003589400000000, -0.0013272400000000 ] - [ -0.0000119700000000, 0.0000151300000000, 0.0000095200000000 ] - [ 0.0000535200000000, -0.0005737100000000, 0.0002050600000000 ] - [ 0.0022275400000000, 0.0007452900000000, -0.0006306400000000 ] - [ 0.0007560100000000, 0.0000678300000000, 0.0000709100000000 ] - [ 0.0000877100000000, -0.0000174800000000, -0.0000649100000000 ] - [ -0.0001896300000000, -0.0001964200000000, 0.0001607100000000 ] - [ 0.0003439800000000, -0.0007484100000000, 0.0008824900000000 ] - [ 0.0000673000000000, 0.0001754400000000, -0.0001669800000000 ] - [ -0.0018833600000000, 0.0001132500000000, 0.0002058900000000 ] - [ -0.0003868900000000, 0.0003351700000000, 0.0003441200000000 ] - [ 0.0004236800000000, 0.0002348300000000, -0.0001292500000000 ] - [ 0.0002192200000000, -0.0000308800000000, 0.0000199900000000 ] - [ -0.0010566800000000, -0.0002583400000000, 0.0000436900000000 ] - [ -0.0013682500000000, 0.0000917500000000, -0.0001204100000000 ] - [ -0.0004185400000000, -0.0005176800000000, 0.0000358700000000 ] - [ 0.0006439100000000, 0.0003090200000000, 0.0000390500000000 ] - [ -0.0007114500000000, -0.0009404400000000, -0.0008778900000000 ] - [ 0.0008850300000000, -0.0012234500000000, 0.0008063700000000 ] - [ -0.0038461900000000, -0.0024216800000000, 0.0006027400000000 ] - [ 0.0000385400000000, -0.0010054200000000, -0.0002767200000000 ] - [ 0.0022442100000000, -0.0026717900000000, 0.0023270600000000 ] - [ 0.0014231800000000, -0.0000745900000000, -0.0002727400000000 ] - [ -0.0024185300000000, 0.0002552800000000, 0.0001022400000000 ] - [ 0.0000085400000000, 0.0005959200000000, -0.0000438600000000 ] - [ 0.0007531500000000, 0.0007735100000000, 0.0000382200000000 ] - [ -0.0001959200000000, 0.0002358200000000, -0.0002750700000000 ] - [ -0.0014412500000000, 0.0010526400000000, 0.0002190300000000 ] - [ -0.0007546100000000, 0.0004609300000000, 0.0001950400000000 ] - [ 0.0007108100000000, -0.0005589500000000, 0.0006449600000000 ] - [ -0.0011075800000000, -0.0001405800000000, -0.0001025600000000 ] - [ 0.0012538200000000, -0.0072114500000000, 0.0054992900000000 ] - [ -0.0002247600000000, 0.0005289300000000, 0.0002747600000000 ] - [ 0.0004204600000000, -0.0002403200000000, 0.0000429900000000 ] - [ 0.0006793000000000, 0.0000769700000000, 0.0001055200000000 ] - [ -0.0082014600000000, -0.0000468400000000, 0.0002811900000000 ] - [ -0.0002682000000000, -0.0004711100000000, 0.0001358500000000 ] - [ 0.0001547000000000, -0.0002936000000000, 0.0002209900000000 ] - [ -0.0000540200000000, 0.0000658600000000, 0.0001983500000000 ] - [ 0.0007731900000000, 0.0005958100000000, -0.0000272300000000 ] - [ 0.0006990600000000, 0.0000259300000000, -0.0003224300000000 ] - [ 0.0007735600000000, -0.0001419000000000, -0.0001668200000000 ] - [ 0.0004267800000000, -0.0003819600000000, -0.0001641500000000 ] - [ 0.0003836600000000, -0.0004825300000000, 0.0001142300000000 ] - [ 0.0009133700000000, 0.0005405200000000, -0.0000513500000000 ] - [ -0.0004626300000000, -0.0005290800000000, 0.0003024500000000 ] - [ 0.0011994800000000, 0.0003338100000000, -0.0000266600000000 ] - [ 0.0004663000000000, 0.0001974300000000, -0.0000866900000000 ] - [ 0.0009422000000000, -0.0003338900000000, 0.0000088800000000 ] - [ 0.0002255800000000, 0.0004154600000000, -0.0001235800000000 ] - [ 0.0010809700000000, -0.0006723000000000, -0.0006769200000000 ] - [ -0.0010024900000000, -0.0001843400000000, 0.0002024300000000 ] - [ 0.0004092800000000, -0.0001812700000000, -0.0001413300000000 ] - [ 0.0001175300000000, -0.0000292800000000, 0.0000151200000000 ] - [ 0.0004001300000000, 0.0003715500000000, 0.0001856400000000 ] - [ 0.0003914200000000, 0.0004366000000000, -0.0001594800000000 ] - [ 0.0001682600000000, 0.0004359400000000, 0.0001966500000000 ] - [ -0.0021894700000000, -0.0009598500000000, 0.0012675600000000 ] - [ 0.0001809200000000, -0.0005116000000000, -0.0001020100000000 ] - [ 0.0012051100000000, 0.0003350600000000, 0.0004371200000000 ] - [ 0.0046450200000000, 0.0082202900000000, -0.0053580000000000 ] - [ 0.0018142500000000, 0.0024657700000000, 0.0015150600000000 ] - [ 0.0006078000000000, -0.0004189800000000, 0.0004689600000000 ] - [ 0.0002522600000000, -0.0004971800000000, 0.0000029800000000 ] - [ -0.0001672600000000, 0.0003934600000000, 0.0004056300000000 ] - [ 0.0001793200000000, 0.0004747600000000, 0.0001422700000000 ] - [ 0.0005566800000000, 0.0000628600000000, 0.0000002700000000 ] - [ -0.0034032300000000, 0.0012042900000000, -0.0003746300000000 ] - [ -0.0011362200000000, -0.0001622000000000, 0.0003378100000000 ] - [ 0.0009586200000000, -0.0003199500000000, -0.0000030800000000 ] - [ 0.0016952300000000, 0.0002298700000000, 0.0000082300000000 ] - [ 0.0002333700000000, -0.0004606800000000, -0.0001125200000000 ] - [ -0.0005599000000000, 0.0010415600000000, 0.0007268800000000 ] - [ 0.0004191300000000, -0.0003587200000000, 0.0002750600000000 ] - [ 0.0000226600000000, -0.0005227600000000, -0.0001178100000000 ] - [ 0.0003247400000000, 0.0002398200000000, 0.0000364900000000 ] - [ 0.0006982400000000, -0.0005815000000000, -0.0000161300000000 ] - [ 0.0001494700000000, 0.0003581100000000, -0.0001208700000000 ] - [ 0.0015445600000000, -0.0005575300000000, 0.0005807700000000 ] - [ -0.0002303600000000, 0.0000158900000000, 0.0000032800000000 ] - [ 0.0003453500000000, 0.0005154900000000, -0.0004900800000000 ] - [ 0.0000839800000000, 0.0012868400000000, -0.0005301900000000 ] - [ -0.0000608900000000, 0.0004455900000000, -0.0001085400000000 ] - [ 0.0014867700000000, -0.0004501000000000, 0.0001383500000000 ] - [ 0.0009155400000000, 0.0005684200000000, 0.0000173400000000 ] - [ 0.0005844200000000, -0.0001638700000000, -0.0000319600000000 ] - [ 0.0000711200000000, -0.0002229800000000, -0.0000761800000000 ] - [ 0.0011786600000000, -0.0005888100000000, -0.0000918600000000 ] - [ -0.0000741400000000, 0.0004920800000000, 0.0000891700000000 ] - [ 0.0005295800000000, -0.0002941300000000, 0.0000198500000000 ] - [ -0.0002990400000000, 0.0007600300000000, -0.0008191100000000 ] - [ 0.0002052300000000, -0.0004062600000000, 0.0001265500000000 ] - [ 0.0004965700000000, -0.0004567700000000, 0.0001035800000000 ] - [ -0.0000181900000000, -0.0005182400000000, -0.0004009700000000 ]- atom: 77 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005695100000000, 0.0002822000000000, 0.0005397000000000 ] - [ -0.0004959100000000, 0.0007013500000000, 0.0001026700000000 ] - [ -0.0082175100000000, -0.0035414600000000, 0.0030852000000000 ] - [ -0.0006473100000000, -0.0010966800000000, 0.0001634900000000 ] - [ 0.0004714000000000, 0.0004923900000000, -0.0003021900000000 ] - [ 0.0004533300000000, 0.0005286800000000, 0.0003624700000000 ] - [ 0.0005060300000000, -0.0004147800000000, -0.0001695400000000 ] - [ 0.0006993400000000, -0.0005249500000000, 0.0000857200000000 ] - [ 0.0001768700000000, -0.0000482800000000, -0.0006653000000000 ] - [ 0.0003264300000000, -0.0001122700000000, 0.0008188800000000 ] - [ 0.0002072700000000, 0.0001271900000000, -0.0006131200000000 ] - [ -0.0004702800000000, -0.0000256000000000, 0.0006081300000000 ] - [ 0.0006305700000000, -0.0000233500000000, 0.0004078100000000 ] - [ -0.0062204400000000, 0.0001012800000000, -0.0014795400000000 ] - [ -0.0004505500000000, 0.0000614100000000, -0.0007269800000000 ] - [ -0.0003117800000000, -0.0000870300000000, -0.0005825000000000 ] - [ 0.0001054700000000, -0.0000946000000000, -0.0004579800000000 ] - [ 0.0001393800000000, -0.0001218700000000, 0.0005928900000000 ] - [ 0.0017317000000000, 0.0001334100000000, -0.0016392600000000 ] - [ 0.0000596800000000, -0.0000823900000000, 0.0006412600000000 ] - [ 0.0001858200000000, 0.0001002700000000, 0.0007049200000000 ] - [ 0.0000823500000000, 0.0001300500000000, 0.0006323200000000 ] - [ 0.0002017200000000, 0.0000920200000000, -0.0006318600000000 ] - [ 0.0000870400000000, -0.0001265900000000, -0.0006360100000000 ] - [ -0.0008118900000000, -0.0013224300000000, 0.0022222900000000 ] - [ -0.0014165000000000, 0.0000597300000000, 0.0004649500000000 ] - [ -0.0006308800000000, 0.0005770600000000, -0.0003456600000000 ] - [ 0.0036589800000000, -0.0016232300000000, 0.0001156300000000 ] - [ 0.0045183900000000, 0.0007229200000000, 0.0014340100000000 ] - [ 0.0015384900000000, -0.0001068900000000, -0.0001374500000000 ] - [ -0.0027677600000000, -0.0005191800000000, 0.0009922000000000 ] - [ 0.0004489100000000, -0.0052933600000000, 0.0016033100000000 ] - [ 0.0004124500000000, 0.0004583000000000, -0.0010957600000000 ] - [ -0.0005376600000000, -0.0008101300000000, -0.0008885500000000 ] - [ -0.0014167200000000, -0.0018328600000000, -0.0031122600000000 ] - [ 0.0002628800000000, 0.0009605500000000, -0.0000960500000000 ] - [ -0.0012875700000000, -0.0001815900000000, 0.0000886200000000 ] - [ -0.0007556500000000, 0.0010325000000000, 0.0009876400000000 ] - [ -0.0012066300000000, 0.0003285000000000, 0.0002602200000000 ] - [ -0.0228556200000000, 0.0015308200000000, -0.0016928300000000 ] - [ -0.0016243800000000, -0.0001483300000000, 0.0004615900000000 ] - [ 0.0017601000000000, 0.0002267400000000, 0.0003273500000000 ] - [ -0.0001133700000000, 0.0000700800000000, 0.0004341300000000 ] - [ -0.0190541100000000, -0.0015070900000000, -0.0014169400000000 ] - [ -0.0007169700000000, -0.0004631900000000, -0.0001234500000000 ] - [ 0.0006963200000000, 0.0004451700000000, -0.0000589800000000 ] - [ -0.0021628900000000, 0.0002422900000000, -0.0002767900000000 ] - [ 0.0009048600000000, 0.0000928200000000, -0.0002164400000000 ] - [ 0.0012100500000000, -0.0000603400000000, -0.0001536700000000 ] - [ 0.0007687900000000, -0.0000642900000000, 0.0001568500000000 ] - [ 0.0005875200000000, 0.0003385600000000, 0.0001466600000000 ] - [ 0.0014130700000000, -0.0005848600000000, -0.0003835300000000 ] - [ 0.0008882800000000, -0.0000681700000000, -0.0003852000000000 ] - [ -0.0003370000000000, 0.0039152600000000, 0.0015950600000000 ] - [ 0.0011136600000000, -0.0000049400000000, 0.0000054100000000 ] - [ 0.0012642500000000, -0.0007325700000000, -0.0003831400000000 ] - [ 0.0008140100000000, 0.0002268200000000, -0.0000161600000000 ] - [ 0.0005143500000000, 0.0000252800000000, 0.0001431900000000 ] - [ 0.0004907700000000, -0.0002967100000000, 0.0004024400000000 ] - [ 0.0025128000000000, 0.0002762100000000, 0.0006593700000000 ] - [ 0.0012260100000000, 0.0004289400000000, -0.0002795400000000 ] - [ 0.0005344200000000, 0.0003557300000000, -0.0002276400000000 ] - [ 0.0012095500000000, 0.0003464000000000, 0.0003306600000000 ] - [ 0.0009690500000000, 0.0001035400000000, -0.0000967600000000 ] - [ 0.0017492000000000, -0.0004889400000000, 0.0003052800000000 ] - [ -0.0008687500000000, 0.0023561400000000, -0.0037312800000000 ] - [ 0.0009819000000000, 0.0001378700000000, -0.0001827700000000 ] - [ 0.0013811800000000, -0.0003830100000000, -0.0003109200000000 ] - [ 0.0020599400000000, -0.0007310000000000, 0.0006161400000000 ] - [ -0.0005471900000000, 0.0003071000000000, -0.0000752300000000 ] - [ 0.0005900300000000, 0.0000452400000000, -0.0001031000000000 ] - [ -0.0009525700000000, 0.0011034300000000, 0.0020870400000000 ] - [ -0.0002505800000000, -0.0000445300000000, 0.0006495600000000 ] - [ 0.0011155500000000, 0.0005739400000000, 0.0010480500000000 ] - [ -0.0005865000000000, -0.0013004100000000, -0.0013399300000000 ] - [ 0.0010183000000000, 0.0005237300000000, -0.0005467400000000 ] - [ 0.0555521700000000, 0.0046285400000000, 0.0073438600000000 ] - [ 0.0000479800000000, -0.0006439100000000, 0.0000348900000000 ] - [ -0.0006561400000000, -0.0006735400000000, 0.0004123300000000 ] - [ -0.0003512700000000, -0.0005564400000000, 0.0000766800000000 ] - [ -0.0043223700000000, -0.0065060200000000, -0.0066623300000000 ] - [ -0.0045849000000000, 0.0083170300000000, 0.0054588700000000 ] - [ 0.0011412600000000, -0.0002542900000000, 0.0000507000000000 ] - [ 0.0003393500000000, 0.0003695200000000, -0.0000712500000000 ] - [ -0.0003810300000000, 0.0005547900000000, -0.0000280600000000 ] - [ -0.0008494900000000, -0.0001838900000000, 0.0001150100000000 ] - [ 0.0001255500000000, -0.0003773500000000, -0.0000300100000000 ] - [ -0.0001530000000000, -0.0018453900000000, -0.0019248700000000 ] - [ 0.0005971700000000, 0.0003464200000000, -0.0000173900000000 ] - [ 0.0004795500000000, 0.0004810000000000, -0.0002466900000000 ] - [ -0.0007130600000000, 0.0012302100000000, 0.0015721700000000 ] - [ -0.0015205600000000, -0.0000134200000000, -0.0000103300000000 ] - [ -0.0001354000000000, -0.0001956200000000, -0.0003917700000000 ] - [ -0.0006731400000000, -0.0007334700000000, 0.0006239500000000 ] - [ -0.0002952300000000, -0.0003703000000000, -0.0000600100000000 ] - [ -0.0005440600000000, -0.0002847100000000, 0.0000554600000000 ] - [ -0.0002026800000000, -0.0006734900000000, 0.0001505400000000 ] - [ -0.0002909400000000, -0.0001448400000000, -0.0006128900000000 ] - [ -0.0005211000000000, 0.0001300700000000, 0.0001746300000000 ] - [ 0.0018212400000000, 0.0007663200000000, 0.0000564200000000 ] - [ 0.0008432100000000, -0.0000290200000000, -0.0003391900000000 ] - [ -0.0011289000000000, 0.0001600000000000, -0.0000912600000000 ] - [ -0.0009684700000000, 0.0000365500000000, -0.0000257500000000 ] - [ 0.0010388800000000, -0.0003858900000000, -0.0000433000000000 ] - [ 0.0013467400000000, 0.0005526200000000, 0.0001243600000000 ] - [ 0.0003628900000000, -0.0003618000000000, -0.0002913300000000 ] - [ -0.0005586200000000, 0.0004630500000000, 0.0001429200000000 ] - [ 0.0008072900000000, 0.0001729000000000, 0.0010574400000000 ] - [ -0.0012815200000000, 0.0003345300000000, -0.0010973100000000 ] - [ 0.0031797000000000, 0.0027127300000000, -0.0003463200000000 ] - [ -0.0004844600000000, 0.0007042400000000, 0.0002870500000000 ] - [ -0.0023526900000000, 0.0034798400000000, -0.0021696500000000 ] - [ 0.0001184900000000, 0.0000744100000000, 0.0002752800000000 ] - [ 0.0008786300000000, -0.0002497300000000, -0.0001021300000000 ] - [ 0.0000443700000000, 0.0002883800000000, -0.0002168800000000 ] - [ -0.0008325900000000, 0.0000008600000000, -0.0002173600000000 ] - [ -0.0001970200000000, 0.0006286600000000, -0.0000391600000000 ] - [ 0.0014267300000000, -0.0021579000000000, -0.0000701400000000 ] - [ 0.0007330600000000, 0.0006643500000000, -0.0000525100000000 ] - [ 0.0000376900000000, 0.0005604300000000, -0.0006457700000000 ] - [ 0.0003992800000000, -0.0002438000000000, -0.0001308300000000 ] - [ -0.0012350000000000, 0.0060153600000000, -0.0055897500000000 ] - [ -0.0001676100000000, 0.0003433000000000, 0.0000349200000000 ] - [ 0.0002906800000000, -0.0001529100000000, 0.0001775200000000 ] - [ -0.0002221900000000, 0.0002276100000000, -0.0001150300000000 ] - [ 0.0081304900000000, -0.0008553400000000, -0.0001752500000000 ] - [ 0.0006542200000000, -0.0003968200000000, 0.0001781900000000 ] - [ -0.0002403900000000, -0.0004762800000000, -0.0000383800000000 ] - [ -0.0004042400000000, 0.0002373200000000, -0.0002072600000000 ] - [ -0.0007626200000000, 0.0005288700000000, -0.0001174600000000 ] - [ 0.0000623800000000, -0.0000320500000000, 0.0003176100000000 ] - [ -0.0003142000000000, -0.0001640800000000, 0.0001561000000000 ] - [ -0.0000351800000000, -0.0004950100000000, -0.0001437900000000 ] - [ -0.0003297400000000, -0.0004000800000000, -0.0003761900000000 ] - [ -0.0001953500000000, -0.0001557200000000, 0.0002828000000000 ] - [ 0.0005453100000000, -0.0002472700000000, -0.0004884700000000 ] - [ -0.0011814000000000, 0.0003108100000000, 0.0000249400000000 ] - [ -0.0003819500000000, 0.0005744100000000, -0.0000942500000000 ] - [ -0.0009469300000000, -0.0003107300000000, -0.0000115600000000 ] - [ -0.0002790500000000, 0.0004640500000000, -0.0001361200000000 ] - [ -0.0003708900000000, 0.0010584900000000, 0.0004524700000000 ] - [ 0.0002936400000000, -0.0002143500000000, 0.0000093200000000 ] - [ 0.0003046300000000, -0.0002121200000000, -0.0000821400000000 ] - [ -0.0008693800000000, 0.0000322600000000, -0.0000116800000000 ] - [ -0.0000077300000000, 0.0004954200000000, 0.0001248200000000 ] - [ -0.0000003600000000, 0.0004340500000000, -0.0001506100000000 ] - [ -0.0001121200000000, 0.0004551800000000, 0.0000663100000000 ] - [ 0.0007174000000000, 0.0010541700000000, -0.0013786100000000 ] - [ -0.0002648600000000, -0.0002626100000000, -0.0000795400000000 ] - [ 0.0003351200000000, -0.0003389300000000, -0.0004405400000000 ] - [ -0.0042320200000000, -0.0086344100000000, 0.0054517900000000 ] - [ -0.0022818900000000, -0.0027990800000000, -0.0015359500000000 ] - [ -0.0010032300000000, -0.0004526000000000, -0.0001602300000000 ] - [ -0.0001954100000000, -0.0003799000000000, 0.0002586700000000 ] - [ -0.0002877500000000, -0.0000885200000000, -0.0003994500000000 ] - [ -0.0002337000000000, 0.0004070800000000, 0.0001185800000000 ] - [ -0.0001005700000000, 0.0002414400000000, 0.0000097500000000 ] - [ 0.0027318500000000, -0.0007416200000000, 0.0001821200000000 ] - [ 0.0003851100000000, 0.0001523600000000, -0.0003285000000000 ] - [ -0.0009581300000000, -0.0003251600000000, 0.0000046600000000 ] - [ -0.0016876800000000, 0.0004166000000000, -0.0000055100000000 ] - [ -0.0002878300000000, -0.0004306100000000, -0.0001510500000000 ] - [ 0.0006501000000000, -0.0002707400000000, -0.0005392800000000 ] - [ -0.0003326900000000, -0.0004135800000000, -0.0000934000000000 ] - [ -0.0004119300000000, -0.0003437400000000, -0.0001922300000000 ] - [ -0.0010318700000000, 0.0001531400000000, 0.0001847600000000 ] - [ -0.0011502300000000, 0.0002758300000000, 0.0000244000000000 ] - [ -0.0002335500000000, 0.0004147000000000, 0.0003017800000000 ] - [ -0.0000083200000000, 0.0005534500000000, -0.0005769200000000 ] - [ -0.0013058500000000, -0.0000152200000000, -0.0000025400000000 ] - [ -0.0002895000000000, 0.0003707400000000, 0.0002295700000000 ] - [ -0.0001587000000000, -0.0005182900000000, 0.0003537000000000 ] - [ -0.0003287400000000, 0.0004341400000000, -0.0002010700000000 ] - [ -0.0014917800000000, -0.0006760400000000, 0.0000061200000000 ] - [ -0.0009043500000000, 0.0005561700000000, 0.0001272900000000 ] - [ 0.0001686200000000, 0.0001627000000000, 0.0000310900000000 ] - [ -0.0007789800000000, -0.0001660400000000, -0.0001501000000000 ] - [ -0.0011784400000000, -0.0005349700000000, -0.0000522300000000 ] - [ -0.0003153200000000, 0.0003842600000000, 0.0002177600000000 ] - [ 0.0001776400000000, -0.0000981200000000, 0.0002022700000000 ] - [ 0.0007694500000000, -0.0004553100000000, 0.0007992400000000 ] - [ -0.0002596700000000, -0.0004817500000000, 0.0001353100000000 ] - [ -0.0001050200000000, -0.0004242800000000, 0.0002041900000000 ] - [ -0.0000588900000000, -0.0002563300000000, 0.0005769200000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010349400000000, 0.0021432700000000, 0.0022486200000000 ] - [ -0.0000660300000000, -0.0003398000000000, 0.0003565600000000 ] - [ 0.0002682800000000, 0.0040427200000000, 0.0014578600000000 ] - [ 0.0016408400000000, -0.0050110700000000, 0.0004896200000000 ] - [ 0.0001781400000000, -0.0000125300000000, -0.0003377900000000 ] - [ -0.0002091900000000, 0.0008271800000000, 0.0001939300000000 ] - [ -0.0003459500000000, -0.0010532900000000, -0.0004016000000000 ] - [ 0.0003006800000000, 0.0002088900000000, 0.0002342200000000 ] - [ 0.0000875300000000, -0.0002685700000000, -0.0006449100000000 ] - [ 0.0000561600000000, 0.0001749400000000, 0.0006724600000000 ] - [ 0.0000748400000000, -0.0002927300000000, -0.0006301000000000 ] - [ -0.0001918100000000, 0.0010983900000000, 0.0008898800000000 ] - [ -0.0000618700000000, 0.0004454000000000, 0.0004685500000000 ] - [ 0.0014960500000000, 0.0055737000000000, 0.0023552800000000 ] - [ 0.0001732900000000, -0.0021511800000000, -0.0006824800000000 ] - [ -0.0001101100000000, -0.0006911200000000, -0.0006251600000000 ] - [ 0.0001401200000000, 0.0004809400000000, -0.0006107300000000 ] - [ 0.0000650700000000, -0.0010965900000000, 0.0006770800000000 ] - [ 0.0000019200000000, 0.0026476000000000, -0.0006669200000000 ] - [ -0.0001261700000000, -0.0003108500000000, 0.0006580300000000 ] - [ 0.0000780400000000, -0.0009703700000000, 0.0006707900000000 ] - [ -0.0001264300000000, -0.0001409700000000, 0.0006364600000000 ] - [ -0.0000791900000000, 0.0005122100000000, -0.0006280100000000 ] - [ -0.0001575000000000, 0.0000612200000000, -0.0006347400000000 ] - [ 0.0015753600000000, -0.0006881100000000, 0.0030813000000000 ] - [ 0.0021713200000000, -0.0077225700000000, 0.0046355300000000 ] - [ 0.0008913800000000, 0.0009009800000000, -0.0014162700000000 ] - [ 0.0142851000000000, 0.0069499600000000, -0.0020238700000000 ] - [ -0.0132137000000000, 0.0049759700000000, -0.0024532400000000 ] - [ -0.0013046100000000, -0.0006012800000000, 0.0003244500000000 ] - [ -0.0024144300000000, -0.0122486500000000, 0.0063680200000000 ] - [ 0.0110208400000000, -0.0038129200000000, 0.0029295400000000 ] - [ -0.0005465100000000, 0.0008870700000000, 0.0006979500000000 ] - [ 0.0000998000000000, 0.0020057900000000, 0.0002078000000000 ] - [ 0.0052631900000000, -0.0012916400000000, -0.0038935200000000 ] - [ -0.0015544400000000, -0.0030186800000000, 0.0004220700000000 ] - [ 0.0014809100000000, 0.0038963600000000, -0.0004884000000000 ] - [ -0.0017410600000000, -0.0022033300000000, -0.0005375700000000 ] - [ -0.0026927100000000, -0.0090961000000000, -0.0063846700000000 ] - [ 0.0017732500000000, 0.0840971700000000, -0.0421108200000000 ] - [ 0.0031789200000000, -0.0109428400000000, -0.0078191900000000 ] - [ -0.0008577800000000, -0.0001488100000000, -0.0003526800000000 ] - [ 0.0012170600000000, -0.0018030900000000, 0.0011063100000000 ] - [ 0.0076847700000000, 0.0046519900000000, -0.0200332600000000 ] - [ 0.0014798400000000, -0.0023312600000000, -0.0011445700000000 ] - [ -0.0004770100000000, 0.0004354200000000, -0.0000915500000000 ] - [ -0.0003898400000000, 0.0024693200000000, 0.0007632000000000 ] - [ -0.0014843500000000, -0.0000368600000000, 0.0002208700000000 ] - [ 0.0005817900000000, 0.0001096900000000, -0.0004444100000000 ] - [ -0.0002387400000000, 0.0009178700000000, 0.0000819700000000 ] - [ 0.0000232300000000, 0.0004921900000000, 0.0004393600000000 ] - [ 0.0025134700000000, -0.0037296300000000, -0.0004995400000000 ] - [ -0.0033376100000000, -0.0037347400000000, -0.0000672000000000 ] - [ -0.0128765300000000, -0.0045148400000000, -0.0050442200000000 ] - [ -0.0005654700000000, 0.0008382100000000, -0.0000067700000000 ] - [ 0.0012246500000000, -0.0008696200000000, -0.0008498800000000 ] - [ -0.0008407300000000, -0.0016220400000000, -0.0001677000000000 ] - [ 0.0007419100000000, -0.0013708700000000, -0.0000391900000000 ] - [ 0.0006439000000000, -0.0004191600000000, 0.0008805800000000 ] - [ -0.0021801600000000, 0.0031513500000000, -0.0009688300000000 ] - [ 0.0001586000000000, -0.0003216300000000, -0.0002154100000000 ] - [ -0.0022357100000000, 0.0026436700000000, 0.0012091600000000 ] - [ -0.0000897400000000, 0.0010494600000000, 0.0003723200000000 ] - [ -0.0000728100000000, -0.0012222800000000, -0.0001688000000000 ] - [ 0.0003253500000000, 0.0005321700000000, 0.0003467700000000 ] - [ -0.0086690700000000, -0.0023268300000000, 0.0057576400000000 ] - [ 0.0014678200000000, 0.0024536900000000, -0.0002948900000000 ] - [ -0.0002550100000000, -0.0012838900000000, -0.0000887900000000 ] - [ 0.0022407400000000, 0.0022781800000000, 0.0008431800000000 ] - [ -0.0005360900000000, 0.0008178500000000, 0.0024404700000000 ] - [ -0.0003973800000000, -0.0004931900000000, -0.0002105400000000 ] - [ -0.0015305100000000, -0.0000016200000000, -0.0028845900000000 ] - [ -0.0012232900000000, -0.0009105300000000, 0.0013175800000000 ] - [ 0.0002482900000000, 0.0003765400000000, -0.0009570200000000 ] - [ 0.0019501600000000, 0.0014439200000000, 0.0017323500000000 ] - [ -0.0004965300000000, 0.0014144500000000, -0.0023113300000000 ] - [ -0.0054232200000000, -0.1518342000000000, 0.0584948900000000 ] - [ 0.0000700300000000, 0.0011526600000000, -0.0000121800000000 ] - [ 0.0018015300000000, 0.0009909400000000, -0.0004684000000000 ] - [ 0.0002220200000000, -0.0001695900000000, -0.0002187100000000 ] - [ 0.0224055300000000, 0.0051154200000000, 0.0061591900000000 ] - [ -0.0083911400000000, 0.0051333600000000, 0.0048190100000000 ] - [ -0.0007306100000000, -0.0006320700000000, -0.0001488800000000 ] - [ -0.0000236700000000, 0.0052473500000000, -0.0006712100000000 ] - [ -0.0028116500000000, 0.0006889800000000, -0.0002766700000000 ] - [ -0.0000949000000000, -0.0002356300000000, 0.0001255300000000 ] - [ 0.0006339700000000, -0.0001824300000000, -0.0000148700000000 ] - [ -0.0073157500000000, 0.0174263400000000, 0.0162418000000000 ] - [ 0.0000974500000000, 0.0048720700000000, -0.0000592400000000 ] - [ 0.0002414400000000, -0.0012359800000000, -0.0008826700000000 ] - [ 0.0008555100000000, -0.0010847100000000, -0.0011558000000000 ] - [ -0.0002245300000000, 0.0000090000000000, 0.0000606500000000 ] - [ -0.0006150600000000, 0.0003659700000000, -0.0004835700000000 ] - [ 0.0019890400000000, 0.0006111900000000, -0.0005773100000000 ] - [ 0.0005135200000000, 0.0001568500000000, 0.0000497400000000 ] - [ 0.0000994500000000, 0.0001254500000000, -0.0001877000000000 ] - [ -0.0004338000000000, 0.0012071300000000, 0.0007095000000000 ] - [ -0.0002627400000000, -0.0053996800000000, 0.0003281800000000 ] - [ -0.0000332200000000, 0.0000389100000000, -0.0001017500000000 ] - [ -0.0003916700000000, -0.0024928700000000, -0.0012776900000000 ] - [ 0.0003204400000000, -0.0005180900000000, -0.0003873400000000 ] - [ 0.0001258900000000, 0.0002926000000000, -0.0001357100000000 ] - [ -0.0000788400000000, 0.0000292100000000, -0.0000623400000000 ] - [ 0.0024266200000000, 0.0003483500000000, 0.0006667200000000 ] - [ -0.0022787200000000, 0.0014094600000000, 0.0008029400000000 ] - [ -0.0000937500000000, 0.0048703900000000, -0.0001207500000000 ] - [ 0.0002599200000000, 0.0001384000000000, 0.0000270500000000 ] - [ -0.0008943000000000, 0.0011079700000000, 0.0026874100000000 ] - [ 0.0005745400000000, -0.0065358300000000, 0.0012997100000000 ] - [ -0.0067750900000000, 0.0256170900000000, -0.0050007600000000 ] - [ -0.0026827100000000, 0.0019182500000000, 0.0008008500000000 ] - [ -0.0028796900000000, 0.0006279100000000, -0.0025941100000000 ] - [ -0.0019950000000000, 0.0000847500000000, 0.0004440900000000 ] - [ -0.0009398000000000, 0.0004858600000000, -0.0013856400000000 ] - [ -0.0001766200000000, 0.0020103600000000, -0.0006370100000000 ] - [ 0.0011418800000000, 0.0003333600000000, -0.0001367900000000 ] - [ -0.0003934400000000, -0.0004296300000000, -0.0006925200000000 ] - [ 0.0020124600000000, 0.0011677000000000, -0.0005625800000000 ] - [ -0.0015152900000000, 0.0013719900000000, -0.0006829000000000 ] - [ -0.0007460000000000, 0.0002664400000000, -0.0005334300000000 ] - [ -0.0001844100000000, -0.0004737700000000, 0.0007544400000000 ] - [ -0.0277490300000000, 0.0027963100000000, -0.0051010100000000 ] - [ -0.0001022500000000, 0.0017902800000000, 0.0000384800000000 ] - [ -0.0005365300000000, -0.0002877300000000, 0.0002887800000000 ] - [ 0.0004678100000000, -0.0000661400000000, 0.0001465900000000 ] - [ -0.0004118300000000, -0.0258262100000000, -0.0016886200000000 ] - [ 0.0001608700000000, 0.0064332600000000, 0.0011827000000000 ] - [ 0.0002946500000000, -0.0001569400000000, 0.0003374300000000 ] - [ -0.0003999700000000, 0.0004460700000000, -0.0004425900000000 ] - [ 0.0004843100000000, 0.0007014400000000, -0.0000634200000000 ] - [ 0.0030667000000000, 0.0000380600000000, -0.0006869500000000 ] - [ 0.0001426800000000, -0.0003796400000000, 0.0003643400000000 ] - [ 0.0002523800000000, 0.0002794900000000, -0.0002419500000000 ] - [ 0.0000320800000000, -0.0022199500000000, -0.0000525100000000 ] - [ 0.0041519800000000, 0.0001292600000000, 0.0006182500000000 ] - [ -0.0003687500000000, -0.0012450700000000, -0.0000113900000000 ] - [ 0.0013892000000000, 0.0005872400000000, 0.0000770300000000 ] - [ -0.0000747300000000, 0.0007694200000000, -0.0000618700000000 ] - [ -0.0002943100000000, -0.0001845100000000, -0.0000451600000000 ] - [ -0.0000338300000000, -0.0001481800000000, -0.0000757600000000 ] - [ -0.0011626200000000, 0.0011988000000000, 0.0010779100000000 ] - [ -0.0009623800000000, -0.0003599400000000, -0.0009339800000000 ] - [ 0.0012837800000000, -0.0000311600000000, -0.0004879100000000 ] - [ -0.0007234300000000, -0.0000121200000000, -0.0001583600000000 ] - [ 0.0002581500000000, -0.0000784000000000, 0.0001980600000000 ] - [ 0.0001946200000000, 0.0008456100000000, -0.0000828400000000 ] - [ 0.0000539800000000, 0.0015396800000000, 0.0001946900000000 ] - [ 0.0051947900000000, 0.0123731500000000, -0.0139556900000000 ] - [ 0.0000725700000000, -0.0006669900000000, -0.0000999500000000 ] - [ 0.0019141700000000, 0.0001227100000000, 0.0004652900000000 ] - [ 0.0111838800000000, 0.0042753800000000, -0.0036020800000000 ] - [ 0.0018803500000000, -0.0010209800000000, 0.0025887000000000 ] - [ -0.0002091400000000, -0.0024584100000000, 0.0000394100000000 ] - [ 0.0000610200000000, 0.0018265800000000, 0.0000732100000000 ] - [ 0.0003301400000000, 0.0008591000000000, 0.0001157600000000 ] - [ 0.0000378100000000, 0.0008787800000000, 0.0002065900000000 ] - [ 0.0002098500000000, 0.0002946000000000, 0.0000109200000000 ] - [ 0.0072155000000000, 0.0221435600000000, 0.0081319000000000 ] - [ -0.0008683800000000, -0.0006559400000000, 0.0021887400000000 ] - [ 0.0008945600000000, -0.0004974900000000, -0.0001592700000000 ] - [ -0.0008061800000000, 0.0001269800000000, 0.0000162500000000 ] - [ 0.0000294600000000, -0.0010548900000000, -0.0001349100000000 ] - [ 0.0007167000000000, 0.0021891500000000, 0.0031430700000000 ] - [ -0.0000260000000000, -0.0006089100000000, -0.0003149500000000 ] - [ -0.0001066600000000, 0.0017305800000000, -0.0003284900000000 ] - [ -0.0007802400000000, 0.0001472800000000, 0.0002655800000000 ] - [ -0.0021621300000000, 0.0001668400000000, -0.0001109300000000 ] - [ -0.0003068300000000, 0.0006602900000000, 0.0005204900000000 ] - [ -0.0010267700000000, 0.0007137500000000, -0.0010507300000000 ] - [ -0.0008100400000000, 0.0000214800000000, 0.0000992800000000 ] - [ 0.0001001800000000, -0.0012145100000000, -0.0001169300000000 ] - [ 0.0024834900000000, 0.0030754100000000, -0.0007417800000000 ] - [ -0.0001899700000000, 0.0014900500000000, -0.0000777000000000 ] - [ 0.0009948300000000, -0.0007334300000000, 0.0002957200000000 ] - [ -0.0004066000000000, 0.0003692300000000, 0.0001419800000000 ] - [ 0.0003200500000000, -0.0003915200000000, 0.0005123400000000 ] - [ -0.0004012200000000, -0.0001372200000000, -0.0002161600000000 ] - [ -0.0008453900000000, -0.0003447500000000, 0.0000354100000000 ] - [ -0.0001413800000000, -0.0009066100000000, 0.0002136900000000 ] - [ 0.0003401600000000, -0.0003169700000000, -0.0002367000000000 ] - [ 0.0008580700000000, 0.0023256600000000, -0.0034838900000000 ] - [ -0.0000134800000000, 0.0003230000000000, 0.0000546300000000 ] - [ 0.0001801500000000, -0.0010556900000000, 0.0000730400000000 ] - [ 0.0011220200000000, -0.0015050600000000, -0.0023115400000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010258100000000, -0.0011874300000000, -0.0027086700000000 ] - [ 0.0000646800000000, 0.0013145300000000, 0.0000962400000000 ] - [ -0.0000795600000000, -0.0048911100000000, -0.0020351900000000 ] - [ -0.0016529000000000, 0.0040476000000000, -0.0000362700000000 ] - [ -0.0001790300000000, 0.0009786400000000, -0.0001183200000000 ] - [ 0.0002060800000000, 0.0001403900000000, 0.0002577000000000 ] - [ 0.0003460700000000, 0.0000841400000000, -0.0000500100000000 ] - [ -0.0003007200000000, -0.0011732300000000, 0.0002225400000000 ] - [ 0.0001096900000000, 0.0000822900000000, -0.0006329000000000 ] - [ 0.0001417500000000, -0.0003603800000000, 0.0006057200000000 ] - [ 0.0001220900000000, 0.0004786000000000, -0.0006473100000000 ] - [ -0.0000163300000000, -0.0012841000000000, 0.0003937700000000 ] - [ 0.0002621800000000, -0.0002600500000000, 0.0008135000000000 ] - [ -0.0017517000000000, -0.0053509300000000, -0.0011616000000000 ] - [ -0.0003655700000000, 0.0023348200000000, -0.0005997100000000 ] - [ -0.0000845900000000, 0.0005048100000000, -0.0006535100000000 ] - [ 0.0000556300000000, -0.0006663800000000, -0.0006691400000000 ] - [ 0.0001330100000000, 0.0009103800000000, 0.0006017300000000 ] - [ 0.0001731800000000, -0.0024610000000000, -0.0005960000000000 ] - [ -0.0000713500000000, 0.0001243300000000, 0.0006194700000000 ] - [ 0.0001203800000000, 0.0011557200000000, 0.0006104200000000 ] - [ -0.0000729800000000, 0.0003276700000000, 0.0006419100000000 ] - [ -0.0001194900000000, -0.0003257800000000, -0.0006515400000000 ] - [ -0.0000377900000000, -0.0002472900000000, -0.0006462700000000 ] - [ -0.0005555600000000, 0.0007159400000000, -0.0030826300000000 ] - [ -0.0025644400000000, 0.0079372900000000, -0.0043122100000000 ] - [ -0.0008917800000000, -0.0000791400000000, 0.0014057500000000 ] - [ -0.0139013900000000, -0.0071874800000000, 0.0017032500000000 ] - [ 0.0126642900000000, -0.0055223600000000, 0.0020303700000000 ] - [ 0.0013006900000000, -0.0002144000000000, -0.0003160400000000 ] - [ 0.0019928200000000, 0.0119943300000000, -0.0059672400000000 ] - [ -0.0109652200000000, 0.0030707800000000, -0.0029145400000000 ] - [ 0.0009568900000000, -0.0006590200000000, -0.0010558600000000 ] - [ -0.0005641800000000, -0.0014564000000000, -0.0006350200000000 ] - [ -0.0062557100000000, 0.0013071700000000, 0.0038964100000000 ] - [ 0.0019438300000000, 0.0028029700000000, -0.0000678300000000 ] - [ -0.0010046200000000, -0.0033940400000000, 0.0000376100000000 ] - [ 0.0012532000000000, 0.0027609100000000, 0.0009464300000000 ] - [ 0.0031669300000000, 0.0096411600000000, 0.0067639200000000 ] - [ -0.0020138300000000, -0.0885650400000000, 0.0461775400000000 ] - [ -0.0027116600000000, 0.0103756000000000, 0.0083042600000000 ] - [ 0.0018671000000000, 0.0001487600000000, 0.0003497700000000 ] - [ -0.0008287900000000, 0.0020152300000000, -0.0007661300000000 ] - [ -0.0071281300000000, -0.0041898400000000, 0.0207622000000000 ] - [ -0.0019643800000000, 0.0017618500000000, 0.0015733800000000 ] - [ 0.0004764300000000, 0.0003839200000000, 0.0000827400000000 ] - [ -0.0000124900000000, -0.0022011300000000, -0.0011425600000000 ] - [ 0.0004721100000000, 0.0000410500000000, -0.0002169400000000 ] - [ 0.0004399100000000, -0.0001130400000000, 0.0004474000000000 ] - [ -0.0001561200000000, -0.0006965800000000, 0.0002603500000000 ] - [ -0.0000222200000000, 0.0003206800000000, -0.0004425200000000 ] - [ -0.0021127300000000, 0.0035093200000000, 0.0001561200000000 ] - [ 0.0028594700000000, 0.0031682400000000, -0.0003525300000000 ] - [ 0.0129325800000000, 0.0036358400000000, 0.0050552200000000 ] - [ 0.0001659000000000, -0.0010577000000000, 0.0003550400000000 ] - [ -0.0012302000000000, 0.0000534500000000, 0.0008532500000000 ] - [ 0.0012324500000000, 0.0018378800000000, -0.0001804500000000 ] - [ -0.0012236000000000, 0.0019354900000000, -0.0003857800000000 ] - [ -0.0016680200000000, 0.0004197500000000, -0.0008843900000000 ] - [ 0.0025486900000000, -0.0033789600000000, 0.0013172700000000 ] - [ 0.0003215300000000, 0.0008848000000000, -0.0002052100000000 ] - [ 0.0017529600000000, -0.0020809800000000, -0.0007902500000000 ] - [ 0.0005705700000000, -0.0004867700000000, 0.0000481100000000 ] - [ -0.0003215100000000, 0.0010029900000000, -0.0001762000000000 ] - [ 0.0001501700000000, -0.0010935000000000, 0.0000776900000000 ] - [ 0.0097188300000000, 0.0023013600000000, -0.0057411800000000 ] - [ -0.0010755000000000, -0.0022328200000000, 0.0006379400000000 ] - [ 0.0007347100000000, 0.0007184500000000, -0.0003326400000000 ] - [ -0.0027360100000000, -0.0028308900000000, -0.0004205200000000 ] - [ 0.0005362000000000, -0.0000087600000000, -0.0024506900000000 ] - [ 0.0000006700000000, 0.0007134100000000, -0.0001359800000000 ] - [ 0.0005085100000000, -0.0000291100000000, 0.0028689800000000 ] - [ 0.0007634400000000, 0.0012180900000000, -0.0013233200000000 ] - [ -0.0002593200000000, 0.0007431800000000, 0.0008246700000000 ] - [ -0.0011896300000000, -0.0014291800000000, -0.0017174400000000 ] - [ 0.0009418900000000, -0.0017350400000000, 0.0022823800000000 ] - [ 0.0054177200000000, 0.1537860000000000, -0.0640345800000000 ] - [ -0.0000139700000000, -0.0020338100000000, -0.0002458800000000 ] - [ -0.0010876300000000, -0.0005963600000000, 0.0006816700000000 ] - [ -0.0001362000000000, -0.0006097400000000, 0.0000382800000000 ] - [ -0.0221604900000000, -0.0044652800000000, -0.0061321500000000 ] - [ 0.0084285300000000, -0.0043962300000000, -0.0049923300000000 ] - [ 0.0007164800000000, -0.0000109600000000, 0.0001512600000000 ] - [ -0.0000299600000000, -0.0043570600000000, 0.0004175400000000 ] - [ 0.0035160500000000, -0.0003049800000000, 0.0000436500000000 ] - [ -0.0006161600000000, -0.0001527100000000, 0.0001028900000000 ] - [ 0.0000766100000000, -0.0002158900000000, -0.0002016000000000 ] - [ 0.0065170200000000, -0.0172700700000000, -0.0161616900000000 ] - [ 0.0002898100000000, -0.0039956700000000, 0.0003770400000000 ] - [ 0.0001497700000000, 0.0021126400000000, 0.0005810800000000 ] - [ -0.0008104300000000, 0.0019692500000000, 0.0014245200000000 ] - [ -0.0013133000000000, -0.0000081500000000, -0.0000609100000000 ] - [ 0.0005311300000000, -0.0011473000000000, 0.0003030900000000 ] - [ -0.0004593900000000, -0.0006209800000000, 0.0005802300000000 ] - [ -0.0000518100000000, -0.0004677000000000, -0.0000419600000000 ] - [ -0.0005571200000000, -0.0004382600000000, 0.0001732400000000 ] - [ 0.0000438200000000, -0.0020814000000000, -0.0004032700000000 ] - [ 0.0003168900000000, 0.0045075600000000, -0.0000660200000000 ] - [ -0.0004291200000000, 0.0002703400000000, 0.0001139400000000 ] - [ 0.0003375500000000, 0.0033788100000000, 0.0016300000000000 ] - [ 0.0001445200000000, 0.0008208900000000, 0.0004007300000000 ] - [ -0.0008348300000000, 0.0000990200000000, -0.0000898700000000 ] - [ -0.0006723500000000, -0.0000268700000000, 0.0000592500000000 ] - [ -0.0024131300000000, -0.0009942900000000, -0.0006597500000000 ] - [ 0.0022945400000000, -0.0007565800000000, -0.0008035800000000 ] - [ 0.0000340200000000, -0.0057449900000000, -0.0001524200000000 ] - [ -0.0001757600000000, 0.0006392000000000, 0.0001513700000000 ] - [ 0.0009735600000000, -0.0018909800000000, -0.0024971600000000 ] - [ -0.0009828600000000, 0.0056581200000000, -0.0016406600000000 ] - [ 0.0059539600000000, -0.0248034700000000, 0.0051298000000000 ] - [ 0.0022102500000000, -0.0022334600000000, -0.0007876600000000 ] - [ 0.0028098600000000, 0.0001016300000000, 0.0027730600000000 ] - [ 0.0035303900000000, -0.0000864200000000, -0.0004412800000000 ] - [ -0.0005987900000000, -0.0005056200000000, 0.0013778600000000 ] - [ 0.0002331800000000, -0.0011247000000000, 0.0003806200000000 ] - [ -0.0012169100000000, 0.0004480700000000, -0.0000484200000000 ] - [ -0.0000004000000000, 0.0013040600000000, 0.0003884300000000 ] - [ -0.0019881900000000, -0.0023144600000000, 0.0006997400000000 ] - [ 0.0015215500000000, -0.0002429100000000, 0.0008303900000000 ] - [ 0.0014984900000000, -0.0002739800000000, 0.0005396900000000 ] - [ -0.0005255200000000, 0.0000630900000000, -0.0009595100000000 ] - [ 0.0279162800000000, -0.0038753100000000, 0.0049278100000000 ] - [ -0.0002875600000000, -0.0009134000000000, 0.0002740000000000 ] - [ 0.0012483400000000, -0.0001042900000000, -0.0000635100000000 ] - [ -0.0000083500000000, 0.0003775000000000, -0.0001529200000000 ] - [ 0.0003368500000000, 0.0249511800000000, 0.0017350000000000 ] - [ 0.0002347500000000, -0.0072985300000000, -0.0008744800000000 ] - [ -0.0003763600000000, -0.0006224200000000, -0.0001496500000000 ] - [ -0.0000574100000000, -0.0001327300000000, 0.0004351000000000 ] - [ -0.0004786200000000, 0.0004245900000000, -0.0000813500000000 ] - [ -0.0023195800000000, -0.0000386400000000, 0.0006856900000000 ] - [ 0.0003177500000000, 0.0000698500000000, -0.0003761100000000 ] - [ 0.0001391500000000, -0.0011559000000000, -0.0000670700000000 ] - [ 0.0000257800000000, 0.0013390600000000, -0.0002035800000000 ] - [ -0.0034472800000000, 0.0002677100000000, -0.0004002800000000 ] - [ 0.0004577000000000, 0.0004736700000000, -0.0001653600000000 ] - [ -0.0013852500000000, 0.0000600100000000, -0.0000798800000000 ] - [ 0.0001602100000000, 0.0000096900000000, -0.0001217000000000 ] - [ 0.0002909800000000, -0.0004622000000000, 0.0000438600000000 ] - [ -0.0000195600000000, 0.0010273200000000, -0.0001805300000000 ] - [ 0.0018770800000000, -0.0008111100000000, -0.0013083600000000 ] - [ 0.0002503600000000, -0.0000160500000000, 0.0011723000000000 ] - [ -0.0005709100000000, -0.0003620100000000, 0.0002667200000000 ] - [ -0.0000262300000000, 0.0000145500000000, 0.0001609700000000 ] - [ 0.0001340800000000, 0.0009490400000000, 0.0001125200000000 ] - [ 0.0001966100000000, 0.0000266400000000, -0.0002253600000000 ] - [ 0.0000007800000000, -0.0006549900000000, 0.0000625000000000 ] - [ -0.0067834900000000, -0.0124901800000000, 0.0140470800000000 ] - [ -0.0001610500000000, -0.0001089800000000, -0.0000814900000000 ] - [ -0.0003648300000000, -0.0001184700000000, -0.0004618000000000 ] - [ -0.0107663400000000, -0.0045144300000000, 0.0035845400000000 ] - [ -0.0023006900000000, 0.0007598800000000, -0.0025895500000000 ] - [ -0.0001748500000000, 0.0015858300000000, 0.0002702200000000 ] - [ -0.0000067600000000, -0.0027040300000000, 0.0001844300000000 ] - [ -0.0007884500000000, -0.0005421300000000, -0.0001006500000000 ] - [ -0.0000921100000000, 0.0000005700000000, 0.0000498700000000 ] - [ 0.0002488100000000, 0.0000171700000000, -0.0000005300000000 ] - [ -0.0080053200000000, -0.0220103000000000, -0.0084764900000000 ] - [ 0.0001178200000000, 0.0006909400000000, -0.0022100300000000 ] - [ -0.0008975500000000, -0.0001492000000000, 0.0001617600000000 ] - [ 0.0008181200000000, 0.0005184800000000, -0.0000154600000000 ] - [ -0.0000836800000000, 0.0001697000000000, -0.0001241400000000 ] - [ -0.0006450900000000, -0.0014035200000000, -0.0029725500000000 ] - [ 0.0001127000000000, -0.0001697200000000, 0.0004995500000000 ] - [ -0.0002852100000000, -0.0026000500000000, 0.0000177100000000 ] - [ 0.0000710600000000, 0.0002472200000000, -0.0000447500000000 ] - [ 0.0017104200000000, -0.0004810600000000, 0.0001194300000000 ] - [ 0.0002231800000000, 0.0001194600000000, -0.0003398000000000 ] - [ 0.0025725600000000, -0.0007153500000000, 0.0010530700000000 ] - [ -0.0007313500000000, -0.0000201800000000, -0.0000985600000000 ] - [ -0.0000448600000000, 0.0020986800000000, -0.0001419300000000 ] - [ -0.0025779300000000, -0.0022906400000000, 0.0005593400000000 ] - [ -0.0002009400000000, -0.0006126600000000, -0.0002293400000000 ] - [ -0.0009897000000000, -0.0003900700000000, -0.0001503000000000 ] - [ 0.0004113100000000, 0.0007559500000000, 0.0000038900000000 ] - [ 0.0004283700000000, 0.0003989300000000, -0.0005174700000000 ] - [ -0.0003097600000000, -0.0002532800000000, -0.0000084600000000 ] - [ 0.0008399400000000, -0.0007815700000000, -0.0001802200000000 ] - [ -0.0002489800000000, 0.0017827100000000, 0.0000968700000000 ] - [ 0.0003696600000000, -0.0000674000000000, 0.0004669600000000 ] - [ -0.0004044200000000, -0.0020080200000000, 0.0034796900000000 ] - [ -0.0000410700000000, -0.0012071700000000, 0.0002031800000000 ] - [ 0.0002120400000000, 0.0001775200000000, 0.0002345000000000 ] - [ -0.0012051200000000, 0.0007308200000000, 0.0024979800000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0022243300000000, 0.0013290800000000, -0.0036279700000000 ] - [ -0.0000562300000000, 0.0012149100000000, -0.0008452600000000 ] - [ 0.0020927900000000, 0.0015187800000000, 0.0022707500000000 ] - [ -0.0004870800000000, 0.0007476300000000, 0.0012260000000000 ] - [ 0.0001054900000000, 0.0004373100000000, -0.0004099800000000 ] - [ -0.0000612200000000, 0.0004528800000000, -0.0001075400000000 ] - [ -0.0000394500000000, -0.0005390400000000, -0.0000385400000000 ] - [ 0.0000358300000000, -0.0004550500000000, 0.0006044000000000 ] - [ 0.0000792900000000, -0.0000214700000000, -0.0007999000000000 ] - [ -0.0000095900000000, -0.0001400900000000, 0.0002987500000000 ] - [ 0.0000610800000000, 0.0001523000000000, -0.0004689800000000 ] - [ 0.0015343900000000, -0.0003075400000000, -0.0015056000000000 ] - [ 0.0005141200000000, -0.0001158300000000, 0.0009760700000000 ] - [ -0.0021033000000000, -0.0002905000000000, 0.0034700000000000 ] - [ -0.0000301900000000, 0.0002435400000000, -0.0001732400000000 ] - [ -0.0000028300000000, -0.0000347600000000, -0.0009935400000000 ] - [ -0.0001744100000000, -0.0001680600000000, -0.0010325700000000 ] - [ 0.0003387600000000, -0.0000206800000000, 0.0005752900000000 ] - [ 0.0003526200000000, -0.0002240100000000, 0.0001268200000000 ] - [ -0.0001477900000000, -0.0000567200000000, 0.0005957600000000 ] - [ -0.0000040800000000, 0.0002129800000000, 0.0007102400000000 ] - [ -0.0000499300000000, 0.0001644400000000, 0.0006803500000000 ] - [ -0.0002111100000000, 0.0000181300000000, -0.0005655500000000 ] - [ -0.0000016800000000, -0.0001456600000000, -0.0007151900000000 ] - [ -0.0009250300000000, 0.0024246200000000, -0.0022701100000000 ] - [ -0.0006653900000000, 0.0011724200000000, -0.0027032800000000 ] - [ -0.0000298800000000, 0.0008172200000000, -0.0028182800000000 ] - [ -0.0056344300000000, -0.0015151600000000, 0.0023378200000000 ] - [ -0.0047460300000000, -0.0004997000000000, 0.0011874700000000 ] - [ 0.0002846900000000, -0.0005776800000000, 0.0010341300000000 ] - [ -0.0009869200000000, 0.0023252400000000, 0.0010176400000000 ] - [ -0.0018345100000000, 0.0021052200000000, 0.0054531800000000 ] - [ 0.0018369200000000, 0.0005357400000000, -0.0024464000000000 ] - [ 0.0011573700000000, -0.0013673800000000, -0.0015783600000000 ] - [ 0.0032235500000000, -0.0005879500000000, 0.0004208300000000 ] - [ 0.0016529000000000, 0.0010709900000000, 0.0011636500000000 ] - [ 0.0000873800000000, -0.0054969300000000, -0.0056427000000000 ] - [ -0.0015955000000000, 0.0003410900000000, -0.0005604000000000 ] - [ -0.0009983200000000, -0.0023032500000000, -0.0042964000000000 ] - [ 0.0004588500000000, -0.0666446400000000, 0.0839053800000000 ] - [ -0.0000387400000000, -0.0005946400000000, 0.0021107500000000 ] - [ -0.0000895700000000, -0.0001315100000000, -0.0000711900000000 ] - [ -0.0008399800000000, 0.0001291600000000, -0.0006450300000000 ] - [ 0.0050347600000000, -0.0006190700000000, 0.0392998000000000 ] - [ 0.0003536500000000, 0.0000112400000000, 0.0010603000000000 ] - [ 0.0001813700000000, 0.0005964200000000, -0.0009578000000000 ] - [ -0.0012890500000000, 0.0038272700000000, -0.0060670800000000 ] - [ 0.0010800300000000, 0.0002089600000000, -0.0000030400000000 ] - [ 0.0008840500000000, -0.0001787900000000, 0.0001642900000000 ] - [ 0.0000078800000000, -0.0000108600000000, -0.0000685900000000 ] - [ -0.0000043000000000, 0.0001986200000000, -0.0007863500000000 ] - [ 0.0003238500000000, 0.0002562100000000, 0.0005515700000000 ] - [ 0.0004994100000000, 0.0001113200000000, 0.0004560900000000 ] - [ 0.0008144900000000, -0.0015784700000000, 0.0057931800000000 ] - [ -0.0005778600000000, -0.0003572500000000, 0.0004580300000000 ] - [ -0.0004291400000000, -0.0001325400000000, 0.0009326700000000 ] - [ 0.0002072900000000, 0.0002183600000000, -0.0007612900000000 ] - [ -0.0005593600000000, 0.0007113000000000, -0.0009432500000000 ] - [ -0.0012999400000000, 0.0002648500000000, -0.0003531000000000 ] - [ -0.0015075900000000, -0.0007790400000000, 0.0008027300000000 ] - [ 0.0003306900000000, 0.0004917000000000, -0.0004628700000000 ] - [ 0.0007109200000000, 0.0000396500000000, -0.0003887600000000 ] - [ 0.0004172200000000, 0.0001486100000000, 0.0000258900000000 ] - [ -0.0001089800000000, 0.0000663400000000, 0.0000674200000000 ] - [ -0.0000254400000000, -0.0004115800000000, 0.0003683400000000 ] - [ 0.0058947500000000, 0.0015085700000000, -0.0008654300000000 ] - [ 0.0007393400000000, -0.0000603800000000, -0.0003371700000000 ] - [ 0.0002973400000000, -0.0000918500000000, -0.0000487500000000 ] - [ -0.0023845200000000, -0.0001061200000000, 0.0005831800000000 ] - [ 0.0000947900000000, 0.0001085100000000, -0.0029589900000000 ] - [ -0.0002462600000000, 0.0002471900000000, -0.0003560600000000 ] - [ -0.0015927500000000, -0.0021007000000000, -0.0016248100000000 ] - [ -0.0009547800000000, 0.0005521200000000, 0.0008975300000000 ] - [ -0.0007554400000000, 0.0001445400000000, 0.0016591100000000 ] - [ 0.0010750300000000, 0.0004674900000000, 0.0004193400000000 ] - [ 0.0003054600000000, -0.0004720800000000, -0.0007647900000000 ] - [ -0.0066419100000000, 0.0617033200000000, -0.1729498600000000 ] - [ -0.0000667200000000, -0.0008150400000000, -0.0001226600000000 ] - [ -0.0000119000000000, 0.0005244900000000, -0.0013503500000000 ] - [ -0.0000952500000000, -0.0005431900000000, 0.0003454700000000 ] - [ 0.0096464300000000, 0.0032205500000000, -0.0017852400000000 ] - [ -0.0037165700000000, 0.0029279100000000, -0.0020534900000000 ] - [ -0.0013503400000000, 0.0000372900000000, 0.0009348300000000 ] - [ 0.0000640000000000, 0.0007102900000000, 0.0000101800000000 ] - [ 0.0008120200000000, -0.0003871900000000, -0.0010397800000000 ] - [ -0.0004746500000000, -0.0000650200000000, 0.0003508100000000 ] - [ 0.0002299800000000, -0.0009873500000000, 0.0008327200000000 ] - [ -0.0048506500000000, 0.0097308500000000, 0.0092842700000000 ] - [ 0.0000282400000000, 0.0002246000000000, 0.0013941700000000 ] - [ 0.0002832800000000, 0.0011693100000000, 0.0035880200000000 ] - [ -0.0013954500000000, 0.0016002800000000, 0.0022447500000000 ] - [ -0.0006143000000000, 0.0000156100000000, -0.0000165100000000 ] - [ 0.0001671000000000, -0.0007782600000000, 0.0011311500000000 ] - [ -0.0014232200000000, -0.0012257500000000, 0.0008433600000000 ] - [ 0.0002238300000000, -0.0001863800000000, -0.0002874000000000 ] - [ -0.0005155900000000, -0.0001693900000000, -0.0003926800000000 ] - [ -0.0001905000000000, -0.0009928600000000, -0.0004815400000000 ] - [ 0.0008316000000000, -0.0001100500000000, 0.0000680300000000 ] - [ -0.0006597200000000, -0.0000302000000000, 0.0004217600000000 ] - [ -0.0000715100000000, 0.0015347500000000, 0.0122832100000000 ] - [ 0.0008483500000000, -0.0004711300000000, 0.0013234900000000 ] - [ -0.0003988200000000, 0.0000306400000000, -0.0003911100000000 ] - [ -0.0006692400000000, -0.0000973800000000, 0.0000810800000000 ] - [ 0.0017323300000000, -0.0002450900000000, 0.0005465900000000 ] - [ -0.0002778900000000, 0.0005502000000000, -0.0003517000000000 ] - [ -0.0000869500000000, -0.0009560600000000, -0.0001368500000000 ] - [ -0.0001031400000000, 0.0004085400000000, -0.0003287200000000 ] - [ -0.0009570400000000, -0.0003918800000000, 0.0014771200000000 ] - [ -0.0011475600000000, 0.0010308000000000, -0.0035582300000000 ] - [ -0.0001199900000000, -0.0019779900000000, -0.0058768100000000 ] - [ -0.0004068100000000, -0.0002087400000000, -0.0013694000000000 ] - [ 0.0035173400000000, -0.0036117600000000, 0.0005729800000000 ] - [ -0.0002121100000000, 0.0001225000000000, -0.0001099500000000 ] - [ 0.0002653100000000, -0.0014362600000000, 0.0007482600000000 ] - [ 0.0002401000000000, 0.0004231100000000, -0.0000257200000000 ] - [ 0.0005220500000000, 0.0007336600000000, -0.0005043400000000 ] - [ -0.0000761700000000, 0.0009754800000000, 0.0010370800000000 ] - [ -0.0002553800000000, -0.0029070000000000, -0.0003007200000000 ] - [ 0.0010006100000000, 0.0002094400000000, 0.0005116700000000 ] - [ 0.0011581100000000, -0.0005951800000000, 0.0006179000000000 ] - [ -0.0000739500000000, -0.0020944100000000, 0.0023673100000000 ] - [ 0.0130852500000000, -0.0032620400000000, -0.0012665000000000 ] - [ -0.0000752400000000, 0.0003180100000000, 0.0006206400000000 ] - [ 0.0003362400000000, 0.0000786900000000, 0.0006683400000000 ] - [ 0.0002342000000000, 0.0002268700000000, 0.0002842800000000 ] - [ 0.0000786400000000, 0.0019425500000000, 0.0369988000000000 ] - [ 0.0002151800000000, -0.0014681700000000, -0.0007484000000000 ] - [ 0.0002297300000000, -0.0005472200000000, 0.0004538400000000 ] - [ 0.0000248100000000, 0.0002252400000000, 0.0003486400000000 ] - [ 0.0000470400000000, 0.0005581000000000, 0.0000165800000000 ] - [ -0.0006996400000000, -0.0001756900000000, -0.0000426000000000 ] - [ 0.0002709300000000, -0.0000055000000000, -0.0003095700000000 ] - [ 0.0001855500000000, -0.0005264200000000, -0.0002681100000000 ] - [ 0.0003983500000000, -0.0002715200000000, -0.0000918300000000 ] - [ 0.0000276900000000, 0.0007802500000000, -0.0008861300000000 ] - [ 0.0006905000000000, 0.0004156000000000, 0.0011195100000000 ] - [ -0.0003102700000000, 0.0003186500000000, -0.0001337400000000 ] - [ 0.0001254900000000, 0.0002610200000000, -0.0003146300000000 ] - [ 0.0001055600000000, -0.0003488900000000, 0.0001304200000000 ] - [ -0.0000093600000000, 0.0005451800000000, -0.0001195000000000 ] - [ 0.0008536100000000, -0.0006183500000000, -0.0012406200000000 ] - [ -0.0002045600000000, 0.0012863000000000, 0.0024937700000000 ] - [ 0.0001056300000000, -0.0004804500000000, 0.0004711300000000 ] - [ -0.0001789800000000, -0.0000379100000000, 0.0000189300000000 ] - [ 0.0001658500000000, 0.0004773000000000, 0.0003125200000000 ] - [ 0.0001910700000000, 0.0003640500000000, -0.0000291400000000 ] - [ 0.0000766800000000, 0.0002900900000000, 0.0002109700000000 ] - [ -0.0044235800000000, -0.0053522300000000, 0.0070375900000000 ] - [ -0.0004442200000000, -0.0000530900000000, 0.0001712400000000 ] - [ 0.0013922700000000, 0.0003872000000000, 0.0003672000000000 ] - [ -0.0053430700000000, -0.0030384600000000, -0.0019067500000000 ] - [ 0.0028139200000000, 0.0035903700000000, -0.0001781900000000 ] - [ 0.0001208100000000, -0.0003192600000000, -0.0002346500000000 ] - [ -0.0000989400000000, -0.0006484100000000, -0.0000126200000000 ] - [ -0.0001677100000000, 0.0003596300000000, 0.0009584100000000 ] - [ -0.0000448200000000, 0.0003214600000000, 0.0001469600000000 ] - [ 0.0002221300000000, 0.0001461900000000, 0.0001893900000000 ] - [ -0.0014658300000000, -0.0011167700000000, -0.0077210000000000 ] - [ 0.0001100400000000, 0.0017864400000000, -0.0005056900000000 ] - [ -0.0004754900000000, -0.0003317400000000, 0.0001360400000000 ] - [ 0.0008216600000000, 0.0002259900000000, -0.0001610600000000 ] - [ -0.0000214800000000, -0.0002846300000000, -0.0001266200000000 ] - [ 0.0000371300000000, 0.0003898500000000, -0.0010948900000000 ] - [ 0.0001063800000000, -0.0003649100000000, 0.0004516400000000 ] - [ -0.0002320400000000, -0.0006081400000000, -0.0003852100000000 ] - [ -0.0001253700000000, 0.0003588400000000, -0.0001489600000000 ] - [ 0.0007854300000000, -0.0005986200000000, -0.0001393200000000 ] - [ -0.0001515800000000, 0.0002332900000000, -0.0002829300000000 ] - [ 0.0017045200000000, -0.0003443600000000, 0.0002750300000000 ] - [ -0.0008152900000000, 0.0000473900000000, 0.0000160800000000 ] - [ -0.0002309000000000, 0.0005983600000000, -0.0000395400000000 ] - [ -0.0006322000000000, -0.0001355800000000, -0.0014716800000000 ] - [ -0.0002416900000000, 0.0003629700000000, 0.0001474700000000 ] - [ 0.0006081900000000, -0.0003755000000000, 0.0000544600000000 ] - [ -0.0003260800000000, 0.0006195500000000, 0.0001235100000000 ] - [ -0.0000240800000000, 0.0004973100000000, -0.0003214900000000 ] - [ -0.0003400800000000, -0.0003046800000000, 0.0000964700000000 ] - [ -0.0001180700000000, -0.0006125400000000, -0.0001917800000000 ] - [ -0.0002601000000000, 0.0004967200000000, 0.0004886000000000 ] - [ 0.0004058500000000, 0.0004196900000000, 0.0010503800000000 ] - [ -0.0004390600000000, -0.0001714800000000, 0.0015844700000000 ] - [ -0.0000232800000000, -0.0005660000000000, 0.0001053300000000 ] - [ 0.0002459700000000, -0.0003587800000000, -0.0000197000000000 ] - [ -0.0009520800000000, -0.0006578200000000, 0.0016204500000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0021982500000000, -0.0003408600000000, 0.0031739900000000 ] - [ 0.0000573900000000, -0.0002535400000000, 0.0013016500000000 ] - [ -0.0019139600000000, -0.0023908200000000, -0.0028814300000000 ] - [ 0.0004894100000000, -0.0017200000000000, -0.0007724200000000 ] - [ -0.0001074600000000, 0.0005286500000000, -0.0000421800000000 ] - [ 0.0000591500000000, 0.0005140000000000, 0.0005611900000000 ] - [ 0.0000390900000000, -0.0004284100000000, -0.0004168000000000 ] - [ -0.0000373000000000, -0.0005117900000000, -0.0001492100000000 ] - [ 0.0001153800000000, -0.0001645700000000, -0.0004770400000000 ] - [ 0.0002051900000000, -0.0000461000000000, 0.0009847400000000 ] - [ 0.0001358500000000, 0.0000337700000000, -0.0008089200000000 ] - [ -0.0017067800000000, 0.0001196400000000, 0.0027719500000000 ] - [ -0.0003196100000000, 0.0003038000000000, 0.0003004500000000 ] - [ 0.0014697500000000, 0.0004370100000000, -0.0027447200000000 ] - [ -0.0001662100000000, -0.0000566200000000, -0.0011051200000000 ] - [ -0.0001944500000000, -0.0001512000000000, -0.0002856800000000 ] - [ 0.0003755400000000, -0.0000177200000000, -0.0002440600000000 ] - [ -0.0001427000000000, -0.0001663900000000, 0.0007055000000000 ] - [ -0.0001708700000000, 0.0004104800000000, -0.0013963100000000 ] - [ -0.0000489900000000, -0.0001298900000000, 0.0006822800000000 ] - [ 0.0002004100000000, -0.0000265200000000, 0.0005689300000000 ] - [ -0.0001476200000000, 0.0000211100000000, 0.0005970800000000 ] - [ 0.0000156600000000, 0.0001677200000000, -0.0007143200000000 ] - [ -0.0001966600000000, -0.0000404200000000, -0.0005650300000000 ] - [ 0.0019614200000000, -0.0024330900000000, 0.0022564600000000 ] - [ 0.0002824600000000, -0.0009643800000000, 0.0030727900000000 ] - [ 0.0000405600000000, -0.0000091700000000, 0.0028248800000000 ] - [ 0.0060648100000000, 0.0012995300000000, -0.0026890200000000 ] - [ 0.0043034100000000, -0.0000617200000000, -0.0016090900000000 ] - [ -0.0002872200000000, -0.0002353900000000, -0.0010413200000000 ] - [ 0.0006107500000000, -0.0025257000000000, -0.0007104400000000 ] - [ 0.0017912300000000, -0.0028983900000000, -0.0054867900000000 ] - [ -0.0014585400000000, -0.0003215100000000, 0.0021131400000000 ] - [ -0.0016544600000000, 0.0019418300000000, 0.0011569400000000 ] - [ -0.0042292500000000, 0.0006000400000000, -0.0003843300000000 ] - [ -0.0012613900000000, -0.0013001200000000, -0.0008248700000000 ] - [ 0.0003966700000000, 0.0061160600000000, 0.0052436700000000 ] - [ 0.0011120400000000, 0.0002230400000000, 0.0009921400000000 ] - [ 0.0014752600000000, 0.0028464400000000, 0.0047200700000000 ] - [ -0.0007484900000000, 0.0629460000000000, -0.0825785200000000 ] - [ 0.0005204100000000, 0.0000490500000000, -0.0017063300000000 ] - [ 0.0011122500000000, 0.0001335600000000, 0.0000748700000000 ] - [ 0.0012339900000000, 0.0000933900000000, 0.0009974800000000 ] - [ -0.0044378200000000, 0.0016308700000000, -0.0383797100000000 ] - [ -0.0008329600000000, -0.0005734700000000, -0.0006444700000000 ] - [ -0.0001868700000000, 0.0002176900000000, 0.0009636800000000 ] - [ 0.0009037900000000, -0.0036521400000000, 0.0057428100000000 ] - [ -0.0021140500000000, -0.0002108200000000, 0.0000006900000000 ] - [ 0.0001314600000000, 0.0001793700000000, -0.0001670800000000 ] - [ -0.0004030700000000, 0.0002320700000000, 0.0004151200000000 ] - [ -0.0000017500000000, 0.0006180000000000, 0.0007919200000000 ] - [ 0.0000621800000000, -0.0004741400000000, -0.0008955400000000 ] - [ -0.0009872100000000, -0.0006749600000000, -0.0008796400000000 ] - [ -0.0008182100000000, 0.0007411500000000, -0.0058334600000000 ] - [ 0.0001816500000000, 0.0001378600000000, -0.0001134300000000 ] - [ 0.0004295600000000, -0.0006858300000000, -0.0009392400000000 ] - [ 0.0001861400000000, 0.0000024000000000, 0.0004164100000000 ] - [ 0.0000804700000000, -0.0001492900000000, 0.0005177400000000 ] - [ 0.0002805300000000, -0.0002669600000000, 0.0003570900000000 ] - [ 0.0018992200000000, 0.0005561700000000, -0.0004649900000000 ] - [ 0.0001466600000000, 0.0000700700000000, 0.0000415000000000 ] - [ -0.0011930900000000, 0.0005276100000000, 0.0008185600000000 ] - [ 0.0000626300000000, 0.0004152600000000, 0.0003994700000000 ] - [ -0.0002882500000000, -0.0002861700000000, -0.0004143200000000 ] - [ 0.0004999200000000, -0.0001503500000000, 0.0000551000000000 ] - [ -0.0048961300000000, -0.0015148200000000, 0.0008953000000000 ] - [ -0.0003448400000000, 0.0002796700000000, 0.0006889900000000 ] - [ 0.0001795900000000, -0.0004731200000000, -0.0003746100000000 ] - [ 0.0019012700000000, -0.0004561500000000, -0.0001682600000000 ] - [ -0.0000863500000000, 0.0007183000000000, 0.0029732700000000 ] - [ -0.0001497400000000, -0.0000265500000000, 0.0000108200000000 ] - [ 0.0005867900000000, 0.0021077200000000, 0.0016171700000000 ] - [ 0.0004880400000000, -0.0002355600000000, -0.0009136800000000 ] - [ 0.0007643200000000, 0.0009847700000000, -0.0018082500000000 ] - [ -0.0003306300000000, -0.0004742500000000, -0.0004271400000000 ] - [ 0.0001525100000000, 0.0001610300000000, 0.0007687100000000 ] - [ 0.0071095600000000, -0.0607944800000000, 0.1696719300000000 ] - [ 0.0001216300000000, -0.0000670900000000, -0.0001326300000000 ] - [ 0.0007256700000000, -0.0001340700000000, 0.0015838900000000 ] - [ 0.0001827000000000, -0.0002329300000000, -0.0005303000000000 ] - [ -0.0096665600000000, -0.0026074700000000, 0.0017242500000000 ] - [ 0.0038143900000000, -0.0021907900000000, 0.0018306800000000 ] - [ 0.0013682100000000, -0.0006869100000000, -0.0009388900000000 ] - [ -0.0001208500000000, 0.0001817300000000, -0.0002727900000000 ] - [ -0.0000932000000000, 0.0007762400000000, 0.0008166500000000 ] - [ -0.0002345800000000, -0.0003244000000000, -0.0001252900000000 ] - [ 0.0004851800000000, 0.0006029500000000, -0.0010637900000000 ] - [ 0.0040620100000000, -0.0096894100000000, -0.0092132300000000 ] - [ 0.0003615200000000, 0.0006611500000000, -0.0010885900000000 ] - [ 0.0001071200000000, -0.0002935200000000, -0.0038934500000000 ] - [ 0.0014568800000000, -0.0007249100000000, -0.0019955600000000 ] - [ -0.0009268400000000, -0.0000141900000000, 0.0000147600000000 ] - [ -0.0002525600000000, 0.0000032700000000, -0.0013127000000000 ] - [ 0.0029814000000000, 0.0012375000000000, -0.0008475600000000 ] - [ 0.0002371000000000, -0.0001237000000000, 0.0002980800000000 ] - [ 0.0000574800000000, -0.0001404700000000, 0.0003860100000000 ] - [ -0.0002009100000000, 0.0001198300000000, 0.0007934300000000 ] - [ -0.0007767500000000, -0.0007713600000000, 0.0001833500000000 ] - [ 0.0002064400000000, 0.0003433600000000, -0.0004131800000000 ] - [ 0.0000156600000000, -0.0006607500000000, -0.0121341200000000 ] - [ -0.0003985300000000, 0.0007887700000000, -0.0013132300000000 ] - [ -0.0003105900000000, 0.0003629900000000, 0.0001697900000000 ] - [ -0.0000781000000000, 0.0000999300000000, -0.0000833200000000 ] - [ -0.0017242900000000, -0.0003999700000000, -0.0005453500000000 ] - [ 0.0002750200000000, 0.0000946500000000, 0.0003573800000000 ] - [ 0.0000308300000000, 0.0000678100000000, -0.0001155000000000 ] - [ 0.0001893200000000, 0.0003684700000000, 0.0005148500000000 ] - [ 0.0010339400000000, -0.0003856700000000, -0.0013041200000000 ] - [ 0.0007560300000000, -0.0019104700000000, 0.0032602900000000 ] - [ -0.0005758300000000, 0.0022702900000000, 0.0061185100000000 ] - [ -0.0000457100000000, -0.0001076100000000, 0.0013743700000000 ] - [ -0.0036101700000000, 0.0043923300000000, -0.0003686600000000 ] - [ 0.0017554000000000, -0.0001227600000000, 0.0001076200000000 ] - [ -0.0018177300000000, 0.0014504300000000, -0.0007411000000000 ] - [ -0.0001854600000000, 0.0004585500000000, -0.0002345800000000 ] - [ -0.0006103300000000, 0.0000408200000000, 0.0003227700000000 ] - [ -0.0003122700000000, -0.0001031000000000, -0.0013477000000000 ] - [ 0.0002456600000000, 0.0017946000000000, 0.0004514200000000 ] - [ -0.0010077100000000, 0.0009127400000000, -0.0003700000000000 ] - [ -0.0004105400000000, 0.0005910400000000, -0.0006115500000000 ] - [ -0.0006453100000000, 0.0017173100000000, -0.0026010900000000 ] - [ -0.0130971200000000, 0.0021804400000000, 0.0010679500000000 ] - [ -0.0003153300000000, 0.0005551000000000, -0.0003126900000000 ] - [ 0.0003713000000000, -0.0004711600000000, -0.0004462600000000 ] - [ 0.0002242700000000, 0.0000839000000000, -0.0002965700000000 ] - [ -0.0001438100000000, -0.0028287000000000, -0.0358442600000000 ] - [ 0.0001730900000000, 0.0005871500000000, 0.0010625500000000 ] - [ -0.0003147100000000, -0.0002306000000000, -0.0002735400000000 ] - [ -0.0004830300000000, 0.0000858800000000, -0.0003612800000000 ] - [ -0.0000428100000000, 0.0005674700000000, -0.0001613900000000 ] - [ 0.0014561800000000, 0.0001715500000000, 0.0000359000000000 ] - [ 0.0001892500000000, -0.0003049100000000, 0.0003023500000000 ] - [ 0.0002060400000000, -0.0003510400000000, -0.0000393500000000 ] - [ -0.0003446400000000, -0.0006069100000000, -0.0001621300000000 ] - [ 0.0006860900000000, -0.0003924100000000, 0.0011168200000000 ] - [ -0.0006151300000000, -0.0012007700000000, -0.0013050000000000 ] - [ 0.0003204000000000, 0.0003275600000000, 0.0001318700000000 ] - [ -0.0000406700000000, 0.0005174800000000, 0.0001319500000000 ] - [ -0.0001090200000000, -0.0002975300000000, -0.0001325500000000 ] - [ -0.0000445500000000, 0.0003344600000000, -0.0001382800000000 ] - [ -0.0001439300000000, 0.0010144400000000, 0.0010222200000000 ] - [ -0.0005145400000000, -0.0016924500000000, -0.0022840500000000 ] - [ 0.0006040200000000, 0.0000870300000000, -0.0006953700000000 ] - [ -0.0005720700000000, 0.0000391200000000, -0.0000181900000000 ] - [ 0.0002266100000000, 0.0003936900000000, -0.0000039300000000 ] - [ 0.0002002900000000, 0.0005078100000000, -0.0002806000000000 ] - [ -0.0000219100000000, 0.0005947800000000, 0.0000485800000000 ] - [ 0.0028966300000000, 0.0054051000000000, -0.0070713900000000 ] - [ 0.0003631400000000, -0.0007273300000000, -0.0003540800000000 ] - [ 0.0001462500000000, -0.0003880100000000, -0.0003663600000000 ] - [ 0.0058217500000000, 0.0027822000000000, 0.0018709300000000 ] - [ -0.0032783200000000, -0.0039029100000000, 0.0001820600000000 ] - [ -0.0005085600000000, -0.0005502800000000, 0.0005479100000000 ] - [ 0.0001550400000000, -0.0002306900000000, 0.0002691900000000 ] - [ -0.0002933500000000, -0.0000502800000000, -0.0009493800000000 ] - [ -0.0000093100000000, 0.0005587100000000, 0.0001106200000000 ] - [ 0.0002368500000000, 0.0001637300000000, -0.0001794500000000 ] - [ 0.0007407500000000, 0.0015166600000000, 0.0074808500000000 ] - [ -0.0008678700000000, -0.0018104900000000, 0.0005203000000000 ] - [ 0.0004735600000000, -0.0003151100000000, -0.0001345500000000 ] - [ -0.0008124700000000, 0.0004208800000000, 0.0001640600000000 ] - [ -0.0000325000000000, -0.0006013000000000, -0.0001314500000000 ] - [ 0.0000463900000000, 0.0003893900000000, 0.0012886700000000 ] - [ -0.0000196600000000, -0.0004130200000000, -0.0002718200000000 ] - [ -0.0001579700000000, -0.0002636500000000, 0.0000765500000000 ] - [ -0.0005858300000000, 0.0000334300000000, 0.0003726500000000 ] - [ -0.0012493500000000, 0.0002903300000000, 0.0001497500000000 ] - [ 0.0000673100000000, 0.0005452800000000, 0.0004691100000000 ] - [ -0.0001670500000000, 0.0003472200000000, -0.0002812800000000 ] - [ -0.0007238200000000, -0.0000463800000000, -0.0000143900000000 ] - [ 0.0002865700000000, 0.0002860600000000, -0.0002218400000000 ] - [ 0.0005473400000000, 0.0009184100000000, 0.0012931900000000 ] - [ -0.0001494000000000, 0.0005135500000000, -0.0004572400000000 ] - [ -0.0006091900000000, -0.0007501200000000, 0.0000915800000000 ] - [ 0.0003303200000000, 0.0005059800000000, 0.0000208100000000 ] - [ 0.0007781500000000, -0.0005029300000000, 0.0003265800000000 ] - [ -0.0003694500000000, -0.0000851000000000, -0.0003229200000000 ] - [ 0.0001194700000000, -0.0005124800000000, 0.0000464700000000 ] - [ -0.0001315600000000, 0.0003798700000000, -0.0001816600000000 ] - [ 0.0003107300000000, -0.0008158500000000, -0.0008290300000000 ] - [ 0.0009009300000000, 0.0004884400000000, -0.0016144500000000 ] - [ -0.0000311300000000, -0.0003190200000000, 0.0001521000000000 ] - [ 0.0001454800000000, -0.0005190600000000, 0.0003298400000000 ] - [ 0.0008613200000000, -0.0001295600000000, -0.0014451700000000 ]- atom: 78 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004366900000000, 0.0004417400000000, -0.0002236600000000 ] - [ 0.0071746600000000, 0.0029265300000000, 0.0025800400000000 ] - [ 0.0007935100000000, -0.0012164000000000, -0.0002690600000000 ] - [ 0.0006242400000000, -0.0003476100000000, 0.0010641300000000 ] - [ -0.0004808400000000, 0.0005444300000000, -0.0001127800000000 ] - [ -0.0005279800000000, 0.0004218800000000, 0.0002923000000000 ] - [ -0.0007003800000000, -0.0005308200000000, -0.0003588200000000 ] - [ -0.0004825200000000, -0.0004959500000000, 0.0001544100000000 ] - [ 0.0058628400000000, -0.0000747400000000, -0.0022649300000000 ] - [ 0.0003338700000000, -0.0000841400000000, 0.0006855900000000 ] - [ 0.0004545900000000, 0.0000466200000000, -0.0007026100000000 ] - [ -0.0001912200000000, -0.0001240400000000, 0.0006093700000000 ] - [ 0.0004937600000000, 0.0001390600000000, 0.0005750300000000 ] - [ -0.0002066600000000, 0.0000753400000000, 0.0006623000000000 ] - [ -0.0003352600000000, 0.0001005300000000, -0.0004453500000000 ] - [ -0.0006399500000000, 0.0000022500000000, -0.0008877900000000 ] - [ -0.0000866600000000, -0.0001233200000000, -0.0006413700000000 ] - [ -0.0000854100000000, -0.0000812400000000, 0.0006428300000000 ] - [ -0.0000657300000000, 0.0000856900000000, -0.0006323300000000 ] - [ -0.0000934500000000, -0.0001087300000000, 0.0007823000000000 ] - [ -0.0002170600000000, 0.0001208700000000, 0.0006414800000000 ] - [ -0.0019866100000000, 0.0000765400000000, -0.0003579000000000 ] - [ -0.0001473000000000, 0.0001222500000000, -0.0006915900000000 ] - [ -0.0001837300000000, -0.0000916200000000, -0.0005763000000000 ] - [ -0.0010541100000000, -0.0003592200000000, -0.0002897700000000 ] - [ 0.0000576700000000, 0.0011877400000000, -0.0005447200000000 ] - [ -0.0012894200000000, 0.0003407900000000, -0.0002920700000000 ] - [ 0.0015042800000000, 0.0000968100000000, 0.0001526500000000 ] - [ 0.0012401300000000, -0.0003245800000000, -0.0000096400000000 ] - [ 0.0012213700000000, 0.0018739600000000, -0.0038271600000000 ] - [ -0.0048286000000000, -0.0008836500000000, 0.0016378200000000 ] - [ -0.0013673800000000, -0.0006894600000000, 0.0004692100000000 ] - [ 0.0026779100000000, 0.0002497500000000, 0.0002600700000000 ] - [ 0.0016923000000000, 0.0000688300000000, 0.0000611300000000 ] - [ -0.0011799100000000, -0.0000384500000000, 0.0000601000000000 ] - [ 0.0186164900000000, 0.0010942800000000, -0.0009693000000000 ] - [ 0.0007573700000000, 0.0007400800000000, -0.0009384100000000 ] - [ 0.0017921300000000, 0.0001548700000000, 0.0000222700000000 ] - [ 0.0000817900000000, -0.0000245600000000, -0.0006421500000000 ] - [ 0.0001729700000000, 0.0002234800000000, 0.0003948900000000 ] - [ -0.0040455800000000, 0.0010654900000000, 0.0002141900000000 ] - [ 0.0009343900000000, -0.0001639400000000, -0.0003842800000000 ] - [ 0.0016763600000000, 0.0005918100000000, 0.0004277900000000 ] - [ 0.0007481900000000, -0.0007687700000000, 0.0002295200000000 ] - [ 0.0216673500000000, -0.0013485600000000, -0.0007361000000000 ] - [ 0.0009380700000000, 0.0017156100000000, 0.0022992900000000 ] - [ -0.0002981500000000, -0.0007758800000000, -0.0003109400000000 ] - [ -0.0002302500000000, 0.0049718800000000, 0.0023780700000000 ] - [ 0.0002563500000000, -0.0043374700000000, 0.0019838600000000 ] - [ -0.0009123500000000, 0.0003263400000000, 0.0004348600000000 ] - [ 0.0008367600000000, -0.0006089200000000, 0.0019607400000000 ] - [ -0.0008552800000000, 0.0000881900000000, -0.0000317100000000 ] - [ -0.0012514900000000, -0.0003741300000000, -0.0002209800000000 ] - [ -0.0012422900000000, -0.0001359300000000, 0.0003371400000000 ] - [ -0.0013567300000000, -0.0004332900000000, 0.0000716500000000 ] - [ 0.0015909200000000, -0.0031025000000000, -0.0039836500000000 ] - [ -0.0010919200000000, -0.0000043200000000, -0.0001263200000000 ] - [ -0.0017722900000000, 0.0004850400000000, -0.0003799800000000 ] - [ 0.0002295500000000, 0.0000995100000000, -0.0002231500000000 ] - [ -0.0009261100000000, 0.0000566100000000, 0.0000693500000000 ] - [ -0.0021078800000000, 0.0007773600000000, 0.0003634500000000 ] - [ -0.0011197700000000, 0.0003501500000000, 0.0003008500000000 ] - [ -0.0004268000000000, 0.0001342500000000, 0.0003585700000000 ] - [ -0.0011318000000000, -0.0001542400000000, -0.0007110200000000 ] - [ -0.0011130600000000, 0.0000921300000000, 0.0000001700000000 ] - [ -0.0000250900000000, 0.0000599500000000, 0.0001219500000000 ] - [ -0.0007247600000000, -0.0000764500000000, 0.0001016300000000 ] - [ -0.0005558800000000, -0.0003514100000000, -0.0005686100000000 ] - [ -0.0015428600000000, -0.0004687200000000, 0.0002821800000000 ] - [ -0.0007727600000000, 0.0004729000000000, -0.0001302500000000 ] - [ -0.0023010000000000, -0.0002433100000000, 0.0003738100000000 ] - [ -0.0017496200000000, 0.0002811500000000, -0.0003250300000000 ] - [ 0.0001938300000000, 0.0003079600000000, 0.0000955300000000 ] - [ -0.0014024900000000, 0.0021186100000000, -0.0000559800000000 ] - [ -0.0002751400000000, 0.0000217400000000, 0.0000196200000000 ] - [ 0.0011380300000000, 0.0002468200000000, -0.0000844600000000 ] - [ 0.0001758600000000, -0.0003962100000000, -0.0002482800000000 ] - [ -0.0555976000000000, -0.0040606200000000, 0.0070834700000000 ] - [ 0.0001974800000000, 0.0020417800000000, -0.0016763800000000 ] - [ 0.0022308300000000, -0.0032860300000000, -0.0023892800000000 ] - [ -0.0010289800000000, 0.0003626900000000, -0.0000813500000000 ] - [ 0.0002315300000000, 0.0004897500000000, -0.0003365000000000 ] - [ -0.0013886800000000, -0.0005601500000000, 0.0000535100000000 ] - [ -0.0000257200000000, 0.0003259100000000, -0.0000427200000000 ] - [ 0.0010857500000000, 0.0001835300000000, -0.0001540200000000 ] - [ 0.0000517600000000, -0.0006285400000000, -0.0004382700000000 ] - [ -0.0010238200000000, -0.0000299200000000, -0.0002419700000000 ] - [ -0.0001876200000000, 0.0001757800000000, 0.0001208400000000 ] - [ 0.0009357400000000, -0.0003896300000000, 0.0015735600000000 ] - [ 0.0001782600000000, 0.0006412100000000, 0.0000574400000000 ] - [ -0.0004626700000000, 0.0004482500000000, 0.0001406500000000 ] - [ -0.0006398800000000, -0.0000310100000000, 0.0000693400000000 ] - [ 0.0005606600000000, -0.0004553600000000, 0.0001017600000000 ] - [ -0.0027317300000000, -0.0015050400000000, -0.0004169600000000 ] - [ 0.0003282900000000, 0.0000535700000000, 0.0006582900000000 ] - [ 0.0052660300000000, -0.0098969800000000, 0.0061727300000000 ] - [ -0.0083562100000000, -0.0000627400000000, 0.0001867100000000 ] - [ -0.0004069100000000, -0.0003610500000000, -0.0000965600000000 ] - [ -0.0009908000000000, -0.0005757300000000, -0.0007192500000000 ] - [ -0.0000116000000000, 0.0005587100000000, 0.0001577800000000 ] - [ 0.0005379000000000, 0.0002805100000000, 0.0001751500000000 ] - [ 0.0002753700000000, 0.0001015200000000, 0.0002317400000000 ] - [ 0.0001707800000000, -0.0003589800000000, 0.0001177200000000 ] - [ -0.0012137200000000, -0.0003490300000000, 0.0010476700000000 ] - [ 0.0026761000000000, -0.0064502700000000, -0.0054299400000000 ] - [ 0.0008490400000000, -0.0009434800000000, -0.0008815500000000 ] - [ 0.0003228000000000, -0.0005244200000000, 0.0003747200000000 ] - [ 0.0003057500000000, -0.0003514400000000, 0.0002401900000000 ] - [ -0.0005846400000000, -0.0003747100000000, -0.0000964200000000 ] - [ 0.0007153300000000, 0.0013138300000000, -0.0008871400000000 ] - [ 0.0002393400000000, -0.0002356500000000, -0.0001671000000000 ] - [ 0.0004511300000000, 0.0006421900000000, 0.0000029900000000 ] - [ 0.0013199500000000, 0.0000054400000000, -0.0000160200000000 ] - [ 0.0004046900000000, 0.0008049600000000, 0.0000899400000000 ] - [ -0.0002820400000000, 0.0003373600000000, -0.0001994100000000 ] - [ -0.0007101500000000, -0.0002494900000000, 0.0011087100000000 ] - [ -0.0005644300000000, 0.0004383100000000, -0.0002453500000000 ] - [ 0.0044295200000000, 0.0068051000000000, -0.0065303200000000 ] - [ -0.0010474200000000, 0.0004820600000000, 0.0001279700000000 ] - [ 0.0010455400000000, -0.0000155400000000, 0.0000579200000000 ] - [ 0.0007004200000000, 0.0003286700000000, 0.0003656600000000 ] - [ -0.0008082400000000, -0.0006471300000000, -0.0001359600000000 ] - [ -0.0020442200000000, 0.0000757200000000, 0.0001127900000000 ] - [ 0.0010251600000000, -0.0001787800000000, 0.0001269600000000 ] - [ 0.0003330200000000, -0.0001068300000000, -0.0002692800000000 ] - [ -0.0000695900000000, -0.0003653900000000, -0.0000215300000000 ] - [ 0.0005134500000000, -0.0007241100000000, -0.0006454400000000 ] - [ -0.0006067900000000, -0.0002085400000000, -0.0002288200000000 ] - [ -0.0007915100000000, -0.0000029900000000, -0.0003306000000000 ] - [ 0.0014364700000000, 0.0006747800000000, -0.0000889000000000 ] - [ 0.0007388100000000, -0.0000184500000000, -0.0000308700000000 ] - [ 0.0003038200000000, 0.0008504900000000, 0.0003458800000000 ] - [ 0.0005516000000000, -0.0004350600000000, 0.0002173600000000 ] - [ 0.0002774000000000, -0.0004330200000000, -0.0001182300000000 ] - [ 0.0010240100000000, 0.0001368300000000, 0.0001116400000000 ] - [ 0.0002624500000000, -0.0004120300000000, 0.0000555200000000 ] - [ 0.0010022900000000, 0.0003244300000000, 0.0000479100000000 ] - [ -0.0000117800000000, 0.0002781700000000, 0.0005839600000000 ] - [ 0.0017103900000000, -0.0004072200000000, -0.0000840700000000 ] - [ 0.0001148700000000, 0.0004241900000000, -0.0001665200000000 ] - [ -0.0006350200000000, -0.0015066100000000, -0.0026724700000000 ] - [ -0.0000871000000000, -0.0003484000000000, 0.0002056700000000 ] - [ 0.0008729700000000, -0.0001531800000000, -0.0001322900000000 ] - [ -0.0003391100000000, 0.0000552900000000, 0.0000797800000000 ] - [ 0.0003356300000000, 0.0004100800000000, 0.0001051300000000 ] - [ 0.0005131400000000, 0.0003643500000000, -0.0004140900000000 ] - [ 0.0003389300000000, 0.0004335300000000, 0.0001851800000000 ] - [ -0.0006189400000000, -0.0000894200000000, 0.0000233800000000 ] - [ -0.0007728600000000, 0.0002554300000000, -0.0006853200000000 ] - [ 0.0015207000000000, 0.0000042400000000, 0.0000424600000000 ] - [ 0.0004411000000000, -0.0002503800000000, -0.0001641100000000 ] - [ 0.0002619100000000, -0.0003443400000000, 0.0000027400000000 ] - [ 0.0000360700000000, -0.0004501700000000, 0.0001581200000000 ] - [ 0.0002485400000000, -0.0004614700000000, 0.0000994000000000 ] - [ 0.0003211700000000, 0.0001727500000000, 0.0001453700000000 ] - [ 0.0007956200000000, 0.0003872500000000, -0.0002665700000000 ] - [ 0.0020173100000000, 0.0024724300000000, -0.0016274300000000 ] - [ 0.0005553200000000, -0.0006567700000000, -0.0010603600000000 ] - [ 0.0002936400000000, -0.0011179500000000, 0.0009135300000000 ] - [ 0.0008849000000000, -0.0003041100000000, -0.0000402800000000 ] - [ 0.0013496300000000, 0.0003120200000000, 0.0000138500000000 ] - [ 0.0002122000000000, -0.0004534500000000, -0.0001681400000000 ] - [ 0.0009047600000000, -0.0000253800000000, 0.0001084500000000 ] - [ 0.0000939900000000, -0.0002223900000000, -0.0002884800000000 ] - [ 0.0000643200000000, -0.0004929600000000, -0.0001602300000000 ] - [ 0.0001356400000000, 0.0003269200000000, 0.0004670600000000 ] - [ -0.0010415500000000, 0.0005499400000000, 0.0008330400000000 ] - [ 0.0055968400000000, 0.0096810200000000, 0.0057616100000000 ] - [ -0.0000302600000000, 0.0000029600000000, -0.0001632700000000 ] - [ -0.0000067000000000, 0.0002312500000000, 0.0000310900000000 ] - [ 0.0002329700000000, 0.0004727900000000, -0.0001251600000000 ] - [ 0.0003530300000000, 0.0004268800000000, -0.0002490800000000 ] - [ 0.0000562800000000, 0.0004302500000000, -0.0001729900000000 ] - [ 0.0011387600000000, -0.0005343200000000, 0.0000981900000000 ] - [ 0.0008595400000000, 0.0005351000000000, 0.0000621100000000 ] - [ -0.0027787100000000, 0.0012309100000000, 0.0004237400000000 ] - [ -0.0000525600000000, 0.0002782100000000, -0.0006437400000000 ] - [ 0.0010107900000000, -0.0005645800000000, -0.0000535100000000 ] - [ 0.0000105400000000, 0.0005022700000000, 0.0001375700000000 ] - [ -0.0006050000000000, -0.0003377600000000, -0.0001471600000000 ] - [ 0.0004894900000000, 0.0000554800000000, 0.0000132400000000 ] - [ 0.0001146600000000, -0.0003941800000000, 0.0002192900000000 ] - [ 0.0004184500000000, -0.0004035600000000, 0.0002831200000000 ] - [ 0.0002793200000000, -0.0004855700000000, 0.0000960900000000 ]- atom: 78 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004415800000000, 0.0005272700000000, -0.0002267700000000 ] - [ -0.0073950400000000, -0.0021242500000000, -0.0023549200000000 ] - [ -0.0008094200000000, 0.0002517800000000, -0.0001882100000000 ] - [ -0.0006431100000000, -0.0006228400000000, -0.0006035000000000 ] - [ 0.0004823600000000, 0.0004251000000000, -0.0003389700000000 ] - [ 0.0005291000000000, 0.0005482600000000, 0.0001602200000000 ] - [ 0.0007033300000000, -0.0004410100000000, -0.0000961400000000 ] - [ 0.0004865300000000, -0.0004739400000000, 0.0003000400000000 ] - [ -0.0054757300000000, -0.0000999300000000, 0.0007043400000000 ] - [ -0.0001328300000000, -0.0001005900000000, 0.0005969900000000 ] - [ -0.0002456700000000, 0.0001378000000000, -0.0005683700000000 ] - [ -0.0000089400000000, -0.0000608200000000, 0.0006693800000000 ] - [ -0.0002900300000000, 0.0000470200000000, 0.0007043100000000 ] - [ 0.0000085600000000, 0.0001102700000000, 0.0006147800000000 ] - [ 0.0001373100000000, 0.0000845000000000, -0.0008360600000000 ] - [ 0.0004445800000000, -0.0001889800000000, -0.0003922300000000 ] - [ 0.0002866300000000, -0.0000611800000000, -0.0006363400000000 ] - [ 0.0002855400000000, -0.0001045000000000, 0.0006381400000000 ] - [ 0.0002650800000000, 0.0000999200000000, -0.0006458800000000 ] - [ -0.0001052300000000, -0.0000773800000000, 0.0004975100000000 ] - [ 0.0004174800000000, 0.0000641000000000, 0.0006385100000000 ] - [ 0.0017760500000000, 0.0001086700000000, 0.0016229100000000 ] - [ -0.0000481700000000, 0.0000632200000000, -0.0005890000000000 ] - [ -0.0000141600000000, -0.0000935000000000, -0.0007048300000000 ] - [ 0.0020733200000000, 0.0003623100000000, 0.0002897600000000 ] - [ -0.0004530900000000, -0.0009916100000000, 0.0009004000000000 ] - [ 0.0013001600000000, 0.0004778100000000, 0.0002960300000000 ] - [ -0.0011294900000000, -0.0002735900000000, -0.0004625900000000 ] - [ -0.0017290400000000, -0.0002685100000000, -0.0003844500000000 ] - [ -0.0011635200000000, -0.0026754000000000, 0.0038049200000000 ] - [ 0.0044727400000000, 0.0006717200000000, -0.0013071200000000 ] - [ 0.0013761900000000, -0.0001245800000000, -0.0004748400000000 ] - [ -0.0023036200000000, -0.0000356900000000, -0.0006242900000000 ] - [ -0.0021852200000000, 0.0005366300000000, -0.0005251300000000 ] - [ 0.0001726100000000, 0.0000391800000000, -0.0000579600000000 ] - [ -0.0181058000000000, -0.0011808200000000, 0.0009597600000000 ] - [ -0.0002970100000000, -0.0001657900000000, 0.0005173400000000 ] - [ -0.0022845000000000, 0.0004196500000000, 0.0004169800000000 ] - [ 0.0003960300000000, 0.0006034200000000, 0.0010829400000000 ] - [ -0.0005806700000000, -0.0004349600000000, -0.0007447000000000 ] - [ 0.0045281600000000, -0.0016466900000000, 0.0002110800000000 ] - [ 0.0000820600000000, 0.0001670600000000, 0.0003955400000000 ] - [ -0.0012920300000000, -0.0003891500000000, -0.0000732300000000 ] - [ -0.0002922100000000, 0.0002023200000000, -0.0006555200000000 ] - [ -0.0220049200000000, 0.0004145400000000, 0.0008334400000000 ] - [ -0.0009359000000000, -0.0008841800000000, -0.0022870000000000 ] - [ -0.0000941100000000, 0.0010008600000000, -0.0000359900000000 ] - [ -0.0007358400000000, -0.0049355700000000, -0.0023805000000000 ] - [ 0.0007891300000000, 0.0043092600000000, -0.0019831600000000 ] - [ 0.0005248400000000, -0.0001164600000000, -0.0000880500000000 ] - [ -0.0008279600000000, 0.0014159800000000, -0.0019517300000000 ] - [ 0.0012513900000000, -0.0002969200000000, -0.0003142100000000 ] - [ 0.0007832600000000, -0.0002020300000000, -0.0002042500000000 ] - [ 0.0012474300000000, -0.0006845100000000, -0.0003398700000000 ] - [ 0.0009710700000000, 0.0002242300000000, 0.0002708500000000 ] - [ -0.0015329700000000, 0.0022635700000000, 0.0039597000000000 ] - [ 0.0014856700000000, 0.0002141700000000, -0.0002178900000000 ] - [ 0.0013045600000000, 0.0000879900000000, -0.0000455600000000 ] - [ -0.0012334200000000, -0.0001026800000000, 0.0002357400000000 ] - [ 0.0013231600000000, -0.0002667000000000, 0.0002737000000000 ] - [ 0.0025752800000000, -0.0001944300000000, -0.0007911000000000 ] - [ 0.0006481500000000, 0.0002307400000000, 0.0001250400000000 ] - [ 0.0009079600000000, 0.0004441800000000, 0.0000707100000000 ] - [ 0.0007486700000000, -0.0000520700000000, 0.0003671500000000 ] - [ 0.0015942900000000, -0.0006687300000000, 0.0004284900000000 ] - [ 0.0010357300000000, -0.0000617900000000, -0.0001205500000000 ] - [ 0.0011200600000000, 0.0002852200000000, 0.0002456700000000 ] - [ 0.0010378500000000, -0.0002323900000000, 0.0001421400000000 ] - [ 0.0010773700000000, -0.0000995800000000, 0.0001391000000000 ] - [ 0.0007758800000000, 0.0003436000000000, 0.0001319400000000 ] - [ 0.0019030900000000, 0.0004452600000000, -0.0007169200000000 ] - [ 0.0007442000000000, -0.0002847600000000, 0.0003244100000000 ] - [ -0.0006570500000000, 0.0000070400000000, -0.0001067300000000 ] - [ 0.0014158500000000, -0.0010126900000000, -0.0000872100000000 ] - [ 0.0010228800000000, -0.0000313600000000, -0.0000327200000000 ] - [ -0.0006824100000000, -0.0005651000000000, 0.0000749400000000 ] - [ 0.0002181000000000, -0.0004807400000000, -0.0000593400000000 ] - [ 0.0554310100000000, 0.0035963300000000, -0.0061645100000000 ] - [ 0.0004529300000000, -0.0015415500000000, 0.0018296100000000 ] - [ -0.0021244200000000, 0.0024701300000000, 0.0021845300000000 ] - [ 0.0010513300000000, 0.0002852800000000, 0.0000780100000000 ] - [ -0.0001438300000000, 0.0002899600000000, 0.0001542100000000 ] - [ 0.0014111400000000, -0.0000878800000000, -0.0000546500000000 ] - [ -0.0000271600000000, 0.0005586300000000, -0.0002153500000000 ] - [ -0.0003773800000000, 0.0002065200000000, -0.0000719000000000 ] - [ -0.0007631300000000, 0.0002340500000000, 0.0006598900000000 ] - [ 0.0017405600000000, -0.0003676400000000, 0.0000179500000000 ] - [ -0.0005593200000000, -0.0001807700000000, -0.0001259900000000 ] - [ -0.0005526900000000, 0.0012766100000000, -0.0012791800000000 ] - [ 0.0002144200000000, 0.0002317800000000, -0.0003678000000000 ] - [ 0.0005208900000000, 0.0004237700000000, 0.0001196400000000 ] - [ -0.0009097800000000, 0.0000321400000000, -0.0000721200000000 ] - [ -0.0006487900000000, -0.0003269200000000, -0.0002863600000000 ] - [ 0.0042426100000000, 0.0015794700000000, 0.0004405500000000 ] - [ 0.0001278200000000, -0.0003693700000000, -0.0006508500000000 ] - [ -0.0056594600000000, 0.0094475400000000, -0.0060806600000000 ] - [ 0.0079758500000000, -0.0008121900000000, -0.0000362800000000 ] - [ 0.0004592000000000, -0.0005206500000000, 0.0003415300000000 ] - [ 0.0005268200000000, 0.0008894800000000, 0.0007362300000000 ] - [ -0.0000410800000000, 0.0003207000000000, 0.0000974900000000 ] - [ -0.0000774100000000, 0.0000337500000000, -0.0001661000000000 ] - [ -0.0009965200000000, 0.0002893800000000, -0.0004552300000000 ] - [ -0.0009242900000000, 0.0003557700000000, -0.0001142400000000 ] - [ 0.0012259500000000, -0.0002987500000000, -0.0010621500000000 ] - [ -0.0027073500000000, 0.0071731100000000, 0.0054939300000000 ] - [ -0.0008941200000000, 0.0000732900000000, 0.0006437100000000 ] - [ -0.0002473300000000, 0.0013034900000000, -0.0001886900000000 ] - [ -0.0002217400000000, -0.0004314800000000, -0.0000583800000000 ] - [ 0.0001968700000000, -0.0005028800000000, -0.0002139100000000 ] - [ -0.0014345700000000, -0.0009349500000000, 0.0011233400000000 ] - [ -0.0007018600000000, -0.0000803200000000, 0.0001782600000000 ] - [ -0.0005409000000000, 0.0001375500000000, 0.0001817500000000 ] - [ 0.0002235000000000, -0.0000058700000000, 0.0000164800000000 ] - [ -0.0019601600000000, -0.0008127400000000, -0.0000885600000000 ] - [ 0.0003386200000000, 0.0005454400000000, -0.0000649200000000 ] - [ 0.0006109200000000, 0.0010284100000000, -0.0012960600000000 ] - [ 0.0001729100000000, 0.0004324600000000, -0.0000601700000000 ] - [ -0.0045028400000000, -0.0080396000000000, 0.0067673400000000 ] - [ 0.0010549300000000, 0.0006461700000000, 0.0000145400000000 ] - [ -0.0003010000000000, 0.0000123800000000, -0.0000547500000000 ] - [ -0.0014255200000000, -0.0007293100000000, -0.0005950700000000 ] - [ 0.0008296800000000, -0.0004795300000000, -0.0000124400000000 ] - [ 0.0016605000000000, 0.0008053900000000, 0.0001997000000000 ] - [ -0.0003157700000000, -0.0002138800000000, 0.0000963500000000 ] - [ 0.0001263900000000, 0.0004218100000000, 0.0002549900000000 ] - [ 0.0000179200000000, -0.0005167000000000, 0.0002759300000000 ] - [ -0.0001210400000000, -0.0001448500000000, 0.0009629400000000 ] - [ 0.0005221800000000, -0.0005766000000000, 0.0004087000000000 ] - [ 0.0003316000000000, 0.0003237700000000, 0.0003162700000000 ] - [ -0.0014374100000000, 0.0004526600000000, -0.0000565200000000 ] - [ 0.0000087400000000, 0.0000176100000000, 0.0000300400000000 ] - [ 0.0001456500000000, -0.0011603200000000, -0.0003510200000000 ] - [ -0.0001614800000000, -0.0004416300000000, -0.0005253100000000 ] - [ -0.0002242800000000, -0.0004442300000000, -0.0001337700000000 ] - [ -0.0003128800000000, 0.0002539500000000, 0.0001140900000000 ] - [ -0.0001767800000000, -0.0003700500000000, -0.0002419400000000 ] - [ -0.0010083900000000, 0.0003235500000000, -0.0000501600000000 ] - [ 0.0000904500000000, 0.0005067900000000, -0.0007700700000000 ] - [ -0.0017117200000000, -0.0002413800000000, 0.0000816200000000 ] - [ -0.0001703900000000, 0.0004545800000000, -0.0000895700000000 ] - [ 0.0012857100000000, 0.0018142600000000, 0.0023320100000000 ] - [ -0.0006268200000000, -0.0000416900000000, 0.0000178900000000 ] - [ -0.0001599600000000, -0.0002378300000000, -0.0000929000000000 ] - [ -0.0004133000000000, -0.0000557900000000, -0.0000817700000000 ] - [ 0.0000555800000000, 0.0004639000000000, 0.0002031100000000 ] - [ -0.0001214000000000, 0.0005099500000000, 0.0001036900000000 ] - [ -0.0002851900000000, 0.0004472100000000, 0.0000693600000000 ] - [ -0.0009260200000000, 0.0000908900000000, -0.0000255400000000 ] - [ 0.0006791500000000, -0.0010358600000000, 0.0005053000000000 ] - [ 0.0000215000000000, -0.0000040300000000, -0.0000424500000000 ] - [ 0.0000213200000000, -0.0000650400000000, 0.0001743800000000 ] - [ -0.0007232400000000, 0.0000294800000000, -0.0000107500000000 ] - [ -0.0004287700000000, -0.0004226800000000, 0.0001498200000000 ] - [ -0.0001947600000000, -0.0004169600000000, 0.0001550600000000 ] - [ -0.0007828000000000, 0.0001443700000000, -0.0001374100000000 ] - [ -0.0008456400000000, 0.0004923500000000, 0.0005192300000000 ] - [ -0.0015471500000000, -0.0021325500000000, 0.0016241300000000 ] - [ -0.0012720000000000, 0.0010577900000000, 0.0008457500000000 ] - [ -0.0010420400000000, 0.0011253200000000, -0.0009185900000000 ] - [ -0.0008903100000000, -0.0003440300000000, 0.0000418500000000 ] - [ -0.0013534000000000, 0.0003356200000000, -0.0000119700000000 ] - [ -0.0002678600000000, -0.0004280200000000, -0.0000864200000000 ] - [ -0.0008233300000000, 0.0008094000000000, 0.0000758500000000 ] - [ -0.0000099200000000, -0.0005613300000000, 0.0004671700000000 ] - [ -0.0004567100000000, -0.0003804200000000, -0.0001487600000000 ] - [ -0.0008572400000000, 0.0000642800000000, -0.0002412300000000 ] - [ 0.0005658400000000, -0.0008648000000000, -0.0008292700000000 ] - [ -0.0056203500000000, -0.0087801100000000, -0.0054894200000000 ] - [ 0.0015774900000000, 0.0000016500000000, 0.0001529200000000 ] - [ -0.0015436700000000, -0.0002291900000000, -0.0000281900000000 ] - [ -0.0001793800000000, 0.0004078500000000, -0.0001303500000000 ] - [ -0.0004406300000000, 0.0003569100000000, 0.0000663100000000 ] - [ -0.0004482400000000, 0.0004445700000000, -0.0001376800000000 ] - [ -0.0011450500000000, -0.0005914200000000, 0.0000480400000000 ] - [ -0.0008633200000000, 0.0005904000000000, 0.0000827800000000 ] - [ 0.0034952600000000, -0.0013266800000000, -0.0003778200000000 ] - [ -0.0006621400000000, -0.0006652900000000, 0.0004148500000000 ] - [ -0.0010177500000000, -0.0005613400000000, -0.0000923300000000 ] - [ -0.0004022700000000, 0.0003727200000000, 0.0001725900000000 ] - [ 0.0013158600000000, -0.0000480100000000, 0.0003784500000000 ] - [ -0.0000294700000000, 0.0002630700000000, -0.0000241500000000 ] - [ -0.0001704600000000, -0.0004868200000000, 0.0000344700000000 ] - [ -0.0000289100000000, -0.0004719700000000, 0.0000287700000000 ] - [ -0.0003657900000000, -0.0002980900000000, 0.0000872100000000 ]- atom: 78 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002883400000000, -0.0000585000000000, -0.0000113500000000 ] - [ 0.0002368800000000, 0.0056492800000000, -0.0017184800000000 ] - [ -0.0012017100000000, -0.0048018600000000, -0.0003506500000000 ] - [ 0.0001955000000000, 0.0018918100000000, -0.0017480600000000 ] - [ 0.0001748700000000, 0.0008547400000000, -0.0002039000000000 ] - [ -0.0002836800000000, -0.0000885600000000, 0.0004383000000000 ] - [ -0.0003691000000000, 0.0002832800000000, -0.0003052200000000 ] - [ 0.0002760400000000, -0.0010403700000000, 0.0003202600000000 ] - [ 0.0009262600000000, 0.0053862100000000, -0.0014305400000000 ] - [ 0.0000177900000000, -0.0007314400000000, 0.0006645100000000 ] - [ 0.0005388400000000, 0.0012872900000000, -0.0000703100000000 ] - [ -0.0000818500000000, -0.0002738300000000, 0.0006537600000000 ] - [ -0.0003111200000000, -0.0023068200000000, 0.0004674800000000 ] - [ -0.0000577300000000, -0.0003237000000000, 0.0006091400000000 ] - [ -0.0001505200000000, 0.0003610400000000, -0.0006422500000000 ] - [ -0.0001952600000000, 0.0002790000000000, -0.0004594100000000 ] - [ 0.0001149800000000, -0.0003351300000000, -0.0006296200000000 ] - [ 0.0000706000000000, 0.0000582800000000, 0.0006407400000000 ] - [ 0.0001057300000000, -0.0001411600000000, -0.0006629600000000 ] - [ -0.0000631100000000, 0.0004923000000000, 0.0006568200000000 ] - [ 0.0001253000000000, 0.0005385400000000, 0.0006248700000000 ] - [ 0.0002336100000000, 0.0027287400000000, 0.0006140600000000 ] - [ -0.0001126300000000, -0.0009923300000000, -0.0006957800000000 ] - [ -0.0001244600000000, -0.0011654700000000, -0.0006383500000000 ] - [ -0.0007117100000000, -0.0003051200000000, -0.0005017900000000 ] - [ 0.0000627700000000, 0.0019253300000000, -0.0001083400000000 ] - [ -0.0006339200000000, 0.0003583900000000, -0.0002207100000000 ] - [ 0.0028478000000000, -0.0109476300000000, -0.0069825000000000 ] - [ -0.0029144900000000, -0.0093689100000000, 0.0059609200000000 ] - [ 0.0086124100000000, -0.0030834800000000, 0.0054387500000000 ] - [ -0.0133898000000000, 0.0072274200000000, 0.0012299200000000 ] - [ -0.0013377500000000, -0.0006344000000000, 0.0004353200000000 ] - [ -0.0018327500000000, -0.0094374400000000, -0.0043725000000000 ] - [ 0.0038445100000000, -0.0138631900000000, 0.0104191700000000 ] - [ -0.0008265900000000, 0.0000082600000000, 0.0001911200000000 ] - [ 0.0049996400000000, 0.0167929000000000, 0.0045784200000000 ] - [ 0.0027021600000000, -0.0024400000000000, 0.0008696900000000 ] - [ -0.0007258900000000, 0.0024477200000000, -0.0001227800000000 ] - [ -0.0005891300000000, 0.0009767100000000, -0.0004936100000000 ] - [ 0.0011776300000000, -0.0028436700000000, -0.0011718400000000 ] - [ 0.0179473700000000, 0.0065451100000000, 0.0028737900000000 ] - [ 0.0014289900000000, 0.0003197200000000, 0.0020833600000000 ] - [ 0.0012330000000000, 0.0040822400000000, 0.0008115000000000 ] - [ -0.0010075800000000, -0.0025124300000000, 0.0008795200000000 ] - [ 0.0000603800000000, 0.0573388900000000, 0.0152593100000000 ] - [ 0.0008439500000000, -0.0002632800000000, -0.0031975200000000 ] - [ -0.0013064800000000, -0.0025560100000000, -0.0005931600000000 ] - [ 0.0107318600000000, -0.0044906900000000, -0.0051950900000000 ] - [ -0.0103179800000000, -0.0028623000000000, 0.0039357700000000 ] - [ 0.0008444900000000, -0.0017515200000000, 0.0000391000000000 ] - [ -0.0014486500000000, 0.0005024100000000, 0.0027986200000000 ] - [ 0.0004325700000000, 0.0008100900000000, -0.0000951700000000 ] - [ -0.0003363100000000, 0.0005231700000000, -0.0005128600000000 ] - [ 0.0015234900000000, -0.0007122300000000, -0.0008654000000000 ] - [ -0.0027770300000000, -0.0039005700000000, 0.0002915100000000 ] - [ -0.0093329300000000, -0.0016752800000000, -0.0046566900000000 ] - [ 0.0000540900000000, 0.0010034200000000, 0.0000610600000000 ] - [ 0.0000663500000000, 0.0011250700000000, -0.0002304100000000 ] - [ -0.0011004100000000, 0.0007051200000000, -0.0021790000000000 ] - [ -0.0000084300000000, -0.0013138100000000, 0.0001365900000000 ] - [ 0.0029682800000000, 0.0029225600000000, -0.0010667500000000 ] - [ -0.0003130300000000, -0.0003154200000000, 0.0002781400000000 ] - [ -0.0008010300000000, -0.0013757700000000, 0.0003024400000000 ] - [ 0.0017437300000000, 0.0027273100000000, 0.0008029500000000 ] - [ 0.0032585500000000, -0.0038486000000000, 0.0002477200000000 ] - [ 0.0006534900000000, 0.0001408300000000, -0.0004711400000000 ] - [ 0.0002797000000000, -0.0005588600000000, 0.0001888700000000 ] - [ -0.0013681100000000, 0.0022267500000000, -0.0010522200000000 ] - [ 0.0001486800000000, -0.0013352400000000, 0.0001025800000000 ] - [ 0.0002834700000000, 0.0005722900000000, 0.0005446000000000 ] - [ -0.0022008900000000, 0.0029435100000000, 0.0004859900000000 ] - [ 0.0009847500000000, -0.0003545100000000, 0.0007542900000000 ] - [ -0.0001051000000000, 0.0003501800000000, 0.0000472500000000 ] - [ 0.0011622900000000, 0.0022599200000000, 0.0005710600000000 ] - [ 0.0007888000000000, -0.0001939900000000, -0.0010990300000000 ] - [ 0.0014859200000000, -0.0001737600000000, 0.0002108000000000 ] - [ 0.0003967800000000, 0.0011566500000000, -0.0005263400000000 ] - [ -0.0036043900000000, -0.1442735600000000, -0.0232243900000000 ] - [ -0.0068020700000000, 0.0186602000000000, -0.0135262800000000 ] - [ -0.0025224300000000, -0.0005027900000000, 0.0032966300000000 ] - [ 0.0019408700000000, 0.0012578900000000, -0.0006582100000000 ] - [ 0.0003339700000000, 0.0006761700000000, -0.0003782600000000 ] - [ -0.0033915700000000, 0.0006538000000000, -0.0008789100000000 ] - [ -0.0001432900000000, -0.0003636300000000, 0.0002100500000000 ] - [ 0.0008197500000000, 0.0001530000000000, -0.0001995400000000 ] - [ -0.0015822800000000, 0.0001325800000000, 0.0006402000000000 ] - [ 0.0007036300000000, 0.0005333300000000, 0.0008910600000000 ] - [ -0.0002184200000000, 0.0000696300000000, -0.0000671000000000 ] - [ 0.0009953600000000, -0.0010929400000000, 0.0013240700000000 ] - [ 0.0000406900000000, 0.0020085000000000, -0.0001362400000000 ] - [ 0.0000134600000000, 0.0082059700000000, 0.0007057600000000 ] - [ -0.0018241700000000, 0.0000554300000000, -0.0003195200000000 ] - [ 0.0001024600000000, -0.0006165200000000, 0.0001245300000000 ] - [ -0.0059463500000000, 0.0200288200000000, 0.0044677600000000 ] - [ -0.0011973000000000, -0.0011982100000000, -0.0019958700000000 ] - [ -0.0111991400000000, 0.0065681700000000, -0.0048731000000000 ] - [ -0.0005891000000000, -0.0257856400000000, -0.0023197600000000 ] - [ 0.0001090600000000, 0.0047598200000000, 0.0006389700000000 ] - [ -0.0004335400000000, 0.0021904600000000, 0.0029185900000000 ] - [ 0.0000910800000000, 0.0022765100000000, 0.0004813000000000 ] - [ 0.0004331700000000, 0.0004995400000000, 0.0002288900000000 ] - [ -0.0036755800000000, 0.0001574800000000, -0.0007160800000000 ] - [ -0.0032401600000000, 0.0002229900000000, 0.0004099300000000 ] - [ 0.0004562000000000, -0.0005078900000000, 0.0007094900000000 ] - [ -0.0317189300000000, 0.0024284900000000, 0.0065248600000000 ] - [ 0.0004899000000000, -0.0077480500000000, -0.0011114000000000 ] - [ -0.0023679000000000, 0.0031543900000000, -0.0005692500000000 ] - [ 0.0001950800000000, -0.0004960500000000, 0.0001437200000000 ] - [ -0.0001174100000000, 0.0048765100000000, -0.0006654400000000 ] - [ 0.0015150500000000, 0.0012749600000000, -0.0011853900000000 ] - [ -0.0000667400000000, -0.0003640600000000, -0.0002283400000000 ] - [ 0.0001094800000000, 0.0007635500000000, 0.0000545800000000 ] - [ 0.0009276800000000, 0.0000104900000000, -0.0000492100000000 ] - [ 0.0008878000000000, 0.0007085500000000, 0.0005106200000000 ] - [ 0.0001318600000000, -0.0012592000000000, -0.0001394600000000 ] - [ -0.0007693200000000, 0.0023284000000000, -0.0035244100000000 ] - [ -0.0001183300000000, 0.0052452700000000, -0.0004235300000000 ] - [ 0.0242119800000000, 0.0057398100000000, -0.0050479900000000 ] - [ -0.0005763600000000, 0.0001597000000000, 0.0000867000000000 ] - [ 0.0007217500000000, 0.0000292700000000, 0.0000735400000000 ] - [ 0.0003956900000000, 0.0003816300000000, 0.0002510400000000 ] - [ -0.0021956500000000, 0.0001609700000000, 0.0009030300000000 ] - [ -0.0005217900000000, -0.0025048500000000, 0.0013027300000000 ] - [ 0.0005659400000000, -0.0001281600000000, 0.0001826000000000 ] - [ -0.0003776600000000, 0.0009813600000000, 0.0001534800000000 ] - [ -0.0001037100000000, 0.0011229300000000, 0.0000972300000000 ] - [ -0.0001069200000000, -0.0053945300000000, -0.0001765300000000 ] - [ 0.0001723600000000, -0.0010599000000000, 0.0002876200000000 ] - [ -0.0005431100000000, -0.0008109200000000, -0.0001640600000000 ] - [ 0.0007275300000000, 0.0003662100000000, -0.0001593800000000 ] - [ 0.0002469100000000, 0.0000232800000000, 0.0000918100000000 ] - [ 0.0029601700000000, 0.0020253200000000, 0.0003823400000000 ] - [ 0.0001534800000000, -0.0022202700000000, 0.0000139200000000 ] - [ 0.0000327400000000, 0.0003640600000000, -0.0000727400000000 ] - [ -0.0002453300000000, 0.0002588700000000, 0.0002505200000000 ] - [ -0.0003721300000000, -0.0001819000000000, -0.0005621900000000 ] - [ 0.0006131500000000, 0.0000826300000000, 0.0000688200000000 ] - [ 0.0010383200000000, -0.0010463800000000, 0.0018212200000000 ] - [ -0.0010423100000000, -0.0004961400000000, 0.0001739200000000 ] - [ -0.0000425000000000, 0.0015831800000000, -0.0001478600000000 ] - [ 0.0078395200000000, 0.0167582600000000, 0.0206394500000000 ] - [ -0.0005685500000000, -0.0006364500000000, -0.0004683400000000 ] - [ 0.0001897600000000, -0.0002002400000000, -0.0002169900000000 ] - [ 0.0004462400000000, 0.0000294100000000, 0.0003022500000000 ] - [ 0.0002053600000000, 0.0015347800000000, 0.0000000400000000 ] - [ 0.0001209200000000, -0.0012201600000000, -0.0003088100000000 ] - [ 0.0000339700000000, -0.0002224000000000, 0.0000142900000000 ] - [ -0.0008643700000000, -0.0001830400000000, 0.0003182200000000 ] - [ 0.0010515700000000, 0.0009305700000000, -0.0026204900000000 ] - [ 0.0001860200000000, 0.0000091100000000, -0.0001091900000000 ] - [ -0.0000761100000000, 0.0001315500000000, 0.0005226400000000 ] - [ -0.0005235500000000, 0.0001973400000000, -0.0000188000000000 ] - [ -0.0002332600000000, 0.0003293300000000, 0.0002768000000000 ] - [ 0.0000050100000000, -0.0010289300000000, 0.0001831600000000 ] - [ -0.0004215900000000, -0.0000885300000000, -0.0003400800000000 ] - [ -0.0000840600000000, -0.0015805100000000, 0.0000692900000000 ] - [ 0.0023516000000000, -0.0005803800000000, -0.0021089700000000 ] - [ -0.0024330400000000, 0.0014473300000000, 0.0015704600000000 ] - [ -0.0019106700000000, 0.0014413400000000, -0.0016935800000000 ] - [ 0.0003961400000000, -0.0001780600000000, -0.0000036000000000 ] - [ -0.0012558000000000, 0.0006011500000000, -0.0000983900000000 ] - [ -0.0000144200000000, 0.0018995300000000, -0.0000694500000000 ] - [ -0.0019546900000000, 0.0004744100000000, 0.0001679800000000 ] - [ 0.0006406300000000, 0.0002734200000000, -0.0000444100000000 ] - [ -0.0001805900000000, -0.0010494200000000, 0.0000055500000000 ] - [ 0.0028364700000000, 0.0005176200000000, 0.0007035000000000 ] - [ 0.0010428600000000, 0.0019114900000000, 0.0031780800000000 ] - [ 0.0101742500000000, 0.0046294000000000, 0.0040838300000000 ] - [ 0.0003930200000000, -0.0002545200000000, 0.0010758700000000 ] - [ 0.0028401500000000, 0.0001501300000000, -0.0003275200000000 ] - [ -0.0000053400000000, 0.0008935900000000, -0.0001835500000000 ] - [ -0.0001825800000000, 0.0001082200000000, 0.0002857900000000 ] - [ -0.0002199100000000, -0.0001493100000000, -0.0002594700000000 ] - [ 0.0010250800000000, -0.0003413500000000, -0.0000009200000000 ] - [ -0.0004183500000000, 0.0007045800000000, 0.0000981300000000 ] - [ 0.0061659700000000, 0.0268943600000000, -0.0120950000000000 ] - [ 0.0007888600000000, -0.0001404900000000, -0.0005646100000000 ] - [ -0.0008120500000000, -0.0007270100000000, -0.0002485800000000 ] - [ -0.0001616300000000, 0.0008790500000000, 0.0000345200000000 ] - [ 0.0003042900000000, -0.0011230600000000, -0.0024075200000000 ] - [ 0.0003300200000000, -0.0001556600000000, -0.0000221500000000 ] - [ -0.0000741800000000, -0.0020285000000000, 0.0001074400000000 ] - [ 0.0001367100000000, 0.0018272400000000, 0.0003629200000000 ] - [ -0.0001258100000000, -0.0002389000000000, 0.0000707800000000 ]- atom: 78 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002855700000000, 0.0010276200000000, -0.0004438600000000 ] - [ -0.0004386500000000, -0.0048113300000000, 0.0020353600000000 ] - [ 0.0012091000000000, 0.0038347000000000, -0.0001025900000000 ] - [ -0.0002023800000000, -0.0028393800000000, 0.0021916900000000 ] - [ -0.0001739000000000, 0.0001090600000000, -0.0002531700000000 ] - [ 0.0002825700000000, 0.0010532100000000, 0.0000181500000000 ] - [ 0.0003717500000000, -0.0012453400000000, -0.0001471800000000 ] - [ -0.0002738600000000, 0.0000761100000000, 0.0001340700000000 ] - [ -0.0006629600000000, -0.0055975200000000, 0.0000597800000000 ] - [ 0.0001750200000000, 0.0005435000000000, 0.0006166300000000 ] - [ -0.0003347100000000, -0.0010990300000000, -0.0012014500000000 ] - [ -0.0001146700000000, 0.0000859300000000, 0.0006233200000000 ] - [ 0.0005006700000000, 0.0024891000000000, 0.0008093700000000 ] - [ -0.0001367500000000, 0.0005095600000000, 0.0006682600000000 ] - [ -0.0000463000000000, -0.0001736900000000, -0.0006398900000000 ] - [ -0.0000058400000000, -0.0004643500000000, -0.0008185500000000 ] - [ 0.0000821200000000, 0.0001479000000000, -0.0006468300000000 ] - [ 0.0001257600000000, -0.0002447900000000, 0.0006384300000000 ] - [ 0.0000918900000000, 0.0003276900000000, -0.0006146900000000 ] - [ -0.0001306800000000, -0.0006790900000000, 0.0006179800000000 ] - [ 0.0000722600000000, -0.0003503900000000, 0.0006560500000000 ] - [ -0.0004037700000000, -0.0025403000000000, 0.0006792700000000 ] - [ -0.0000846800000000, 0.0011772100000000, -0.0005847600000000 ] - [ -0.0000739900000000, 0.0009765400000000, -0.0006409900000000 ] - [ 0.0017421000000000, 0.0003065700000000, 0.0005103000000000 ] - [ -0.0004749000000000, -0.0016759400000000, 0.0004458600000000 ] - [ 0.0006252100000000, 0.0004534600000000, 0.0002206800000000 ] - [ -0.0024441100000000, 0.0106751900000000, 0.0065849500000000 ] - [ 0.0024208100000000, 0.0088017100000000, -0.0063996500000000 ] - [ -0.0086231100000000, 0.0022550700000000, -0.0054241500000000 ] - [ 0.0130084000000000, -0.0074731300000000, -0.0008710200000000 ] - [ 0.0013457400000000, -0.0001760400000000, -0.0004352600000000 ] - [ 0.0022437700000000, 0.0096431800000000, 0.0040627800000000 ] - [ -0.0042932500000000, 0.0143414700000000, -0.0107323000000000 ] - [ -0.0002040100000000, -0.0000085400000000, -0.0001984700000000 ] - [ -0.0046504100000000, -0.0185892600000000, -0.0023709500000000 ] - [ -0.0022003300000000, 0.0029834900000000, -0.0012766800000000 ] - [ 0.0002560700000000, -0.0019421200000000, 0.0005056700000000 ] - [ 0.0010507900000000, -0.0004329000000000, 0.0008940200000000 ] - [ -0.0015628300000000, 0.0026043400000000, 0.0008175900000000 ] - [ -0.0173964400000000, -0.0070608900000000, -0.0024239300000000 ] - [ -0.0003992900000000, -0.0003210900000000, -0.0020881700000000 ] - [ -0.0008325200000000, -0.0037779100000000, -0.0005032100000000 ] - [ 0.0014997700000000, 0.0019573000000000, -0.0013059000000000 ] - [ -0.0006803200000000, -0.0543954400000000, -0.0115952900000000 ] - [ -0.0008425400000000, 0.0010498800000000, 0.0031809800000000 ] - [ 0.0009071700000000, 0.0027693700000000, 0.0002541400000000 ] - [ -0.0117870500000000, 0.0044132400000000, 0.0052015200000000 ] - [ 0.0112840500000000, 0.0029261900000000, -0.0039254100000000 ] - [ -0.0012388000000000, 0.0019809400000000, 0.0003041200000000 ] - [ 0.0014443100000000, 0.0003410500000000, -0.0028037400000000 ] - [ -0.0000303100000000, -0.0010429400000000, -0.0002525300000000 ] - [ -0.0001468900000000, -0.0010713900000000, 0.0000942200000000 ] - [ -0.0015123800000000, -0.0001038800000000, 0.0008575000000000 ] - [ 0.0023738700000000, 0.0036654400000000, 0.0000556800000000 ] - [ 0.0092705500000000, 0.0008939400000000, 0.0046756500000000 ] - [ 0.0003501800000000, -0.0007703600000000, -0.0004053100000000 ] - [ -0.0005465700000000, -0.0005729000000000, -0.0001854800000000 ] - [ 0.0000674500000000, -0.0006975800000000, 0.0021610500000000 ] - [ 0.0004077000000000, 0.0010767200000000, 0.0002107800000000 ] - [ -0.0024634700000000, -0.0023806800000000, 0.0006537400000000 ] - [ -0.0001686900000000, 0.0008625000000000, 0.0001376700000000 ] - [ 0.0012877300000000, 0.0019239600000000, 0.0001127000000000 ] - [ -0.0021397300000000, -0.0029574400000000, -0.0011508200000000 ] - [ -0.0027752300000000, 0.0032927200000000, 0.0001696800000000 ] - [ 0.0003759700000000, -0.0001380300000000, 0.0004645400000000 ] - [ 0.0001195300000000, 0.0007877200000000, 0.0001564000000000 ] - [ 0.0018528400000000, -0.0027690100000000, 0.0006330700000000 ] - [ -0.0006332000000000, 0.0007796000000000, 0.0003157000000000 ] - [ -0.0002841600000000, 0.0002439900000000, -0.0005389300000000 ] - [ 0.0018235000000000, -0.0026994200000000, -0.0008310200000000 ] - [ -0.0020047700000000, 0.0003522700000000, -0.0007460500000000 ] - [ -0.0003527300000000, -0.0000426800000000, -0.0000551500000000 ] - [ -0.0011787900000000, -0.0011070700000000, -0.0007199800000000 ] - [ -0.0000368400000000, 0.0002183200000000, 0.0011243100000000 ] - [ -0.0010348800000000, -0.0001350500000000, -0.0002231000000000 ] - [ -0.0000074700000000, -0.0020246900000000, 0.0002179200000000 ] - [ 0.0040467500000000, 0.1413938000000000, 0.0181685700000000 ] - [ 0.0075330200000000, -0.0183525600000000, 0.0137659500000000 ] - [ 0.0025832900000000, -0.0002205100000000, -0.0034717800000000 ] - [ -0.0019490200000000, -0.0006115500000000, 0.0006584500000000 ] - [ -0.0002515100000000, 0.0000983400000000, 0.0001990700000000 ] - [ 0.0033591500000000, -0.0013024700000000, 0.0008706200000000 ] - [ 0.0000893700000000, 0.0012473100000000, -0.0004654200000000 ] - [ -0.0001114200000000, 0.0002357800000000, -0.0000265000000000 ] - [ 0.0008669100000000, -0.0005148000000000, -0.0004086000000000 ] - [ 0.0000055800000000, -0.0008950500000000, -0.0011257000000000 ] - [ -0.0005322000000000, -0.0000611700000000, 0.0000757000000000 ] - [ -0.0005935300000000, 0.0019606700000000, -0.0010005400000000 ] - [ 0.0003485800000000, -0.0011271800000000, -0.0001728400000000 ] - [ 0.0000380600000000, -0.0072929400000000, -0.0004454300000000 ] - [ 0.0002854500000000, -0.0000542200000000, 0.0003194800000000 ] - [ -0.0001846400000000, -0.0001552500000000, -0.0003086600000000 ] - [ 0.0075514700000000, -0.0203096400000000, -0.0045368000000000 ] - [ 0.0016538700000000, 0.0008956700000000, 0.0020065300000000 ] - [ 0.0107907500000000, -0.0068197700000000, 0.0048698100000000 ] - [ 0.0002196700000000, 0.0249902200000000, 0.0024529500000000 ] - [ -0.0000504500000000, -0.0056299000000000, -0.0003651900000000 ] - [ -0.0000127500000000, -0.0018725900000000, -0.0029194600000000 ] - [ -0.0001471100000000, -0.0013832100000000, -0.0002229700000000 ] - [ 0.0000238200000000, -0.0001919000000000, -0.0002221800000000 ] - [ 0.0029666100000000, 0.0002375400000000, 0.0004947900000000 ] - [ 0.0024861800000000, -0.0002114000000000, -0.0004215100000000 ] - [ -0.0004416100000000, -0.0001337400000000, -0.0006919800000000 ] - [ 0.0314310700000000, -0.0018368800000000, -0.0065275200000000 ] - [ -0.0005272400000000, 0.0068471100000000, 0.0008162900000000 ] - [ 0.0024573200000000, -0.0023756700000000, 0.0007505500000000 ] - [ -0.0001078400000000, -0.0002748500000000, 0.0000397900000000 ] - [ -0.0002736700000000, -0.0057390600000000, 0.0003581600000000 ] - [ -0.0022310400000000, -0.0008908000000000, 0.0014159500000000 ] - [ -0.0003896700000000, 0.0000572200000000, 0.0002408500000000 ] - [ -0.0001946400000000, 0.0000090800000000, 0.0001258100000000 ] - [ 0.0006099400000000, -0.0000117700000000, 0.0000521900000000 ] - [ -0.0024205600000000, -0.0007070400000000, -0.0005200600000000 ] - [ -0.0000759000000000, 0.0021406900000000, -0.0001107100000000 ] - [ 0.0006860800000000, -0.0015472100000000, 0.0033401700000000 ] - [ -0.0002699300000000, -0.0043631700000000, 0.0001013900000000 ] - [ -0.0243747700000000, -0.0068478100000000, 0.0052022500000000 ] - [ 0.0005870500000000, 0.0009576200000000, 0.0000628000000000 ] - [ 0.0000295800000000, -0.0000306400000000, -0.0000722800000000 ] - [ -0.0010937800000000, -0.0007613600000000, -0.0004738500000000 ] - [ 0.0021784600000000, -0.0012871200000000, -0.0010404700000000 ] - [ 0.0001310600000000, 0.0033628700000000, -0.0008899800000000 ] - [ 0.0001448500000000, -0.0002636600000000, 0.0000397400000000 ] - [ 0.0008318400000000, -0.0006704200000000, -0.0001602700000000 ] - [ 0.0000475000000000, -0.0020023700000000, 0.0001660300000000 ] - [ 0.0004966600000000, 0.0045163200000000, 0.0004884100000000 ] - [ -0.0002611600000000, 0.0002935400000000, -0.0001004700000000 ] - [ 0.0000809100000000, 0.0011061700000000, 0.0001596900000000 ] - [ -0.0007297200000000, 0.0007558800000000, 0.0000136600000000 ] - [ 0.0005042000000000, -0.0000277000000000, -0.0000951200000000 ] - [ -0.0024864800000000, -0.0023377500000000, -0.0003933000000000 ] - [ 0.0002358200000000, 0.0013408700000000, -0.0003237000000000 ] - [ 0.0000213900000000, -0.0012438500000000, -0.0001886700000000 ] - [ 0.0009505400000000, 0.0001296900000000, -0.0000233400000000 ] - [ 0.0004525300000000, -0.0005918600000000, 0.0003771400000000 ] - [ -0.0006043400000000, 0.0005613200000000, -0.0000709100000000 ] - [ -0.0009547900000000, 0.0018116900000000, -0.0019992900000000 ] - [ 0.0010253300000000, -0.0001479400000000, -0.0001755000000000 ] - [ -0.0000123100000000, -0.0007010100000000, -0.0001104400000000 ] - [ -0.0070395100000000, -0.0161608400000000, -0.0206746300000000 ] - [ -0.0001400200000000, 0.0002362400000000, 0.0006854600000000 ] - [ 0.0005181600000000, -0.0001948100000000, -0.0000041900000000 ] - [ -0.0011991400000000, -0.0000259900000000, -0.0002967300000000 ] - [ 0.0001862000000000, -0.0006649000000000, 0.0003092700000000 ] - [ 0.0002659800000000, 0.0020890000000000, -0.0000000900000000 ] - [ 0.0000202000000000, 0.0011095600000000, 0.0002466800000000 ] - [ -0.0006711800000000, 0.0001764100000000, -0.0003124500000000 ] - [ -0.0011167500000000, -0.0017104200000000, 0.0024239500000000 ] - [ 0.0013487500000000, -0.0000113700000000, 0.0001063500000000 ] - [ 0.0005291900000000, -0.0004380000000000, -0.0005093500000000 ] - [ 0.0000658400000000, -0.0005024100000000, 0.0000071700000000 ] - [ -0.0001584100000000, -0.0011970400000000, 0.0000333900000000 ] - [ 0.0000497000000000, 0.0001481000000000, 0.0000791000000000 ] - [ -0.0000377900000000, 0.0003922900000000, 0.0003480700000000 ] - [ 0.0000207900000000, 0.0024603900000000, 0.0001928000000000 ] - [ -0.0019262600000000, 0.0008363500000000, 0.0021278700000000 ] - [ 0.0017128800000000, -0.0010497500000000, -0.0017870000000000 ] - [ 0.0011507900000000, -0.0014334300000000, 0.0016819900000000 ] - [ -0.0004051500000000, -0.0004668600000000, 0.0000061300000000 ] - [ 0.0012624000000000, 0.0000452700000000, 0.0001006200000000 ] - [ -0.0000401900000000, -0.0027858700000000, -0.0001941800000000 ] - [ 0.0020228400000000, 0.0003008400000000, 0.0000113200000000 ] - [ -0.0005553100000000, -0.0010494500000000, 0.0002310700000000 ] - [ -0.0002108000000000, 0.0001800800000000, -0.0003156500000000 ] - [ -0.0035360400000000, -0.0001252400000000, -0.0004817900000000 ] - [ -0.0014843700000000, -0.0022204900000000, -0.0031556900000000 ] - [ -0.0102203400000000, -0.0039374800000000, -0.0039279200000000 ] - [ 0.0011438100000000, 0.0002419100000000, -0.0010625400000000 ] - [ -0.0043658500000000, -0.0001537700000000, 0.0003226000000000 ] - [ 0.0000595900000000, -0.0000044300000000, -0.0000769900000000 ] - [ 0.0000961900000000, 0.0006628600000000, -0.0004641900000000 ] - [ -0.0001714900000000, 0.0010255700000000, -0.0000490600000000 ] - [ -0.0010288300000000, -0.0007841800000000, 0.0001446500000000 ] - [ 0.0004216000000000, 0.0004208200000000, 0.0000471700000000 ] - [ -0.0053133600000000, -0.0265046400000000, 0.0118853800000000 ] - [ -0.0015016200000000, -0.0002558600000000, 0.0003436800000000 ] - [ 0.0008039200000000, -0.0003978400000000, 0.0001047300000000 ] - [ -0.0002294400000000, -0.0000004100000000, 0.0002726800000000 ] - [ 0.0004057200000000, 0.0006980900000000, 0.0026069600000000 ] - [ 0.0001311500000000, 0.0004564100000000, 0.0000136600000000 ] - [ 0.0000184000000000, 0.0011371800000000, 0.0001557200000000 ] - [ 0.0002542400000000, -0.0027034500000000, -0.0000547600000000 ] - [ 0.0000410100000000, -0.0005342200000000, 0.0001122600000000 ]- atom: 78 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000146100000000, 0.0008662200000000, -0.0011530100000000 ] - [ -0.0031077000000000, -0.0019324000000000, 0.0024532700000000 ] - [ 0.0003131600000000, 0.0001379600000000, 0.0012965300000000 ] - [ 0.0022797100000000, -0.0014394600000000, -0.0031516000000000 ] - [ 0.0000593400000000, 0.0005248600000000, -0.0006199700000000 ] - [ 0.0000693900000000, 0.0005821900000000, 0.0004229700000000 ] - [ -0.0000310300000000, -0.0003662700000000, 0.0001562400000000 ] - [ -0.0001346300000000, -0.0003817100000000, 0.0000185300000000 ] - [ 0.0027123900000000, 0.0002666300000000, 0.0014749500000000 ] - [ -0.0000090600000000, -0.0001241500000000, 0.0002166100000000 ] - [ -0.0015858100000000, 0.0001691100000000, -0.0028280300000000 ] - [ -0.0000908800000000, -0.0001542400000000, 0.0004509600000000 ] - [ 0.0000168500000000, 0.0000023400000000, 0.0011431700000000 ] - [ -0.0000578700000000, 0.0000418200000000, 0.0008070000000000 ] - [ 0.0000045100000000, 0.0001307100000000, -0.0009768100000000 ] - [ -0.0004963100000000, 0.0000966500000000, -0.0002727400000000 ] - [ 0.0000488300000000, -0.0001470200000000, -0.0005890500000000 ] - [ 0.0000072900000000, -0.0000688300000000, 0.0005546400000000 ] - [ 0.0001537100000000, 0.0000726600000000, -0.0006858500000000 ] - [ 0.0001495200000000, -0.0000924300000000, 0.0002350700000000 ] - [ 0.0002075200000000, 0.0001224300000000, 0.0007270800000000 ] - [ -0.0001245900000000, 0.0000188600000000, 0.0015684100000000 ] - [ -0.0003539700000000, 0.0001363400000000, -0.0007249700000000 ] - [ 0.0000308800000000, -0.0001561200000000, -0.0005426900000000 ] - [ 0.0001024900000000, 0.0002427800000000, 0.0010983000000000 ] - [ -0.0014795100000000, 0.0016136000000000, -0.0012748900000000 ] - [ -0.0012801000000000, 0.0002795300000000, -0.0000556300000000 ] - [ 0.0007436400000000, -0.0021844800000000, -0.0031841000000000 ] - [ 0.0007753400000000, 0.0017181500000000, -0.0047642500000000 ] - [ -0.0060684500000000, 0.0005623900000000, 0.0004524800000000 ] - [ 0.0047058300000000, -0.0005418400000000, 0.0016122500000000 ] - [ 0.0007094200000000, -0.0002132100000000, -0.0000603100000000 ] - [ 0.0010088400000000, -0.0021437800000000, 0.0000257600000000 ] - [ 0.0000207900000000, 0.0005729000000000, 0.0016133200000000 ] - [ -0.0006446800000000, -0.0001551300000000, -0.0008650500000000 ] - [ -0.0035919900000000, -0.0160794000000000, 0.0583925200000000 ] - [ -0.0004782900000000, -0.0002479400000000, 0.0008079800000000 ] - [ 0.0010576300000000, -0.0034979600000000, -0.0052811500000000 ] - [ -0.0014667400000000, -0.0002733400000000, -0.0021064900000000 ] - [ 0.0009487400000000, -0.0004433000000000, -0.0006900100000000 ] - [ 0.0059358200000000, 0.0006131100000000, 0.0028489200000000 ] - [ 0.0003559000000000, -0.0003755600000000, -0.0030014400000000 ] - [ 0.0001706200000000, 0.0055788400000000, -0.0059456200000000 ] - [ 0.0016337600000000, -0.0005686600000000, -0.0013044800000000 ] - [ -0.0026879600000000, 0.0406791000000000, 0.0627605600000000 ] - [ 0.0014094700000000, -0.0018758400000000, -0.0026927600000000 ] - [ -0.0016818000000000, -0.0013400300000000, 0.0004452700000000 ] - [ 0.0022672200000000, -0.0020810700000000, 0.0059456900000000 ] - [ 0.0006849100000000, 0.0018810000000000, 0.0046667100000000 ] - [ 0.0000226900000000, -0.0002460400000000, -0.0005423200000000 ] - [ 0.0012175200000000, 0.0025963900000000, -0.0016816900000000 ] - [ -0.0000324300000000, -0.0001207900000000, -0.0003323800000000 ] - [ -0.0004180100000000, -0.0002538600000000, -0.0004712700000000 ] - [ 0.0007611600000000, -0.0005693800000000, -0.0002101500000000 ] - [ -0.0006957500000000, -0.0003439900000000, 0.0008097300000000 ] - [ -0.0047051400000000, -0.0012226100000000, 0.0000705100000000 ] - [ 0.0005980600000000, 0.0002299800000000, -0.0000471500000000 ] - [ 0.0000986200000000, 0.0003105200000000, 0.0000908300000000 ] - [ -0.0006394500000000, 0.0003152400000000, -0.0028690500000000 ] - [ 0.0001722400000000, -0.0002805800000000, 0.0003319900000000 ] - [ 0.0022704200000000, -0.0001320100000000, 0.0002252300000000 ] - [ -0.0001578100000000, 0.0001840400000000, -0.0000361800000000 ] - [ 0.0003478300000000, 0.0003180300000000, -0.0005101000000000 ] - [ -0.0010678800000000, -0.0003824500000000, -0.0007477000000000 ] - [ -0.0000354900000000, -0.0004041300000000, 0.0012037700000000 ] - [ 0.0005552100000000, 0.0002479700000000, -0.0008303200000000 ] - [ 0.0001509400000000, -0.0000882800000000, -0.0000563500000000 ] - [ -0.0004689700000000, -0.0003467100000000, -0.0007470700000000 ] - [ -0.0003822100000000, -0.0004022600000000, 0.0005228500000000 ] - [ -0.0004392300000000, 0.0006248100000000, 0.0001486000000000 ] - [ 0.0016974600000000, 0.0004636100000000, 0.0000786200000000 ] - [ -0.0001640900000000, -0.0001772800000000, 0.0008043700000000 ] - [ -0.0000947200000000, 0.0002484800000000, 0.0003407600000000 ] - [ 0.0003005000000000, 0.0028937400000000, -0.0003390400000000 ] - [ 0.0000931800000000, 0.0022222600000000, 0.0029793800000000 ] - [ -0.0004780100000000, -0.0005728300000000, -0.0004807500000000 ] - [ 0.0000296400000000, -0.0003210900000000, -0.0001487700000000 ] - [ 0.0066134200000000, -0.0210894600000000, -0.1701948600000000 ] - [ 0.0060398700000000, -0.0119020700000000, 0.0098027600000000 ] - [ -0.0033597200000000, 0.0035196100000000, 0.0007842400000000 ] - [ -0.0016439000000000, 0.0001144100000000, 0.0004341500000000 ] - [ -0.0002466400000000, 0.0005117400000000, 0.0002481300000000 ] - [ 0.0003272000000000, -0.0005981000000000, -0.0002185100000000 ] - [ -0.0001157700000000, 0.0001059300000000, 0.0010126100000000 ] - [ 0.0001974300000000, 0.0001658400000000, -0.0001435400000000 ] - [ -0.0012398100000000, 0.0003813600000000, 0.0007101300000000 ] - [ -0.0004614900000000, 0.0011721800000000, 0.0005526600000000 ] - [ -0.0002918500000000, 0.0010076500000000, 0.0011821900000000 ] - [ 0.0016411600000000, -0.0008465800000000, 0.0022680700000000 ] - [ 0.0002818000000000, 0.0009462800000000, -0.0000472200000000 ] - [ 0.0000179200000000, 0.0010176400000000, -0.0006213400000000 ] - [ -0.0005881100000000, -0.0001905900000000, 0.0005461800000000 ] - [ 0.0000718200000000, -0.0003910100000000, -0.0004070800000000 ] - [ -0.0005579900000000, 0.0035300000000000, -0.0047449400000000 ] - [ 0.0011386500000000, -0.0004514000000000, 0.0011095700000000 ] - [ 0.0049940200000000, -0.0033314600000000, -0.0027471000000000 ] - [ 0.0000410600000000, 0.0013166100000000, 0.0370281500000000 ] - [ 0.0002470500000000, -0.0009524800000000, 0.0013873000000000 ] - [ -0.0004477700000000, 0.0003841400000000, -0.0006866300000000 ] - [ 0.0000027900000000, 0.0007939300000000, -0.0004381000000000 ] - [ 0.0005625300000000, 0.0001179400000000, -0.0003597500000000 ] - [ 0.0010322700000000, 0.0000745000000000, -0.0002412000000000 ] - [ -0.0007153400000000, 0.0007037100000000, -0.0010945200000000 ] - [ 0.0006987600000000, -0.0000515900000000, 0.0016816200000000 ] - [ -0.0116030600000000, 0.0026664300000000, -0.0012078300000000 ] - [ 0.0007341500000000, -0.0013986900000000, -0.0036408600000000 ] - [ 0.0002507000000000, 0.0001778900000000, -0.0018705400000000 ] - [ 0.0004416000000000, -0.0002168500000000, 0.0004954300000000 ] - [ -0.0003587500000000, -0.0004266800000000, -0.0001655900000000 ] - [ -0.0012386300000000, -0.0002582200000000, 0.0004736400000000 ] - [ -0.0002448800000000, -0.0002112100000000, 0.0003003600000000 ] - [ -0.0000340600000000, 0.0003840800000000, -0.0002800000000000 ] - [ 0.0008507100000000, -0.0000785300000000, 0.0002072700000000 ] - [ -0.0002260800000000, -0.0000098500000000, -0.0013974400000000 ] - [ -0.0000396300000000, 0.0004538800000000, 0.0037269700000000 ] - [ 0.0010965300000000, 0.0001379400000000, 0.0017091300000000 ] - [ -0.0001352800000000, 0.0009806100000000, -0.0000088400000000 ] - [ -0.0109039100000000, -0.0043793500000000, -0.0020851300000000 ] - [ 0.0013489300000000, 0.0000184300000000, 0.0010495200000000 ] - [ 0.0003993900000000, 0.0002204400000000, -0.0003421900000000 ] - [ 0.0013008500000000, 0.0007753300000000, 0.0005247600000000 ] - [ -0.0012204000000000, -0.0002362100000000, 0.0004317000000000 ] - [ -0.0001197000000000, -0.0010117900000000, 0.0123073700000000 ] - [ 0.0006359500000000, -0.0000829300000000, 0.0001894200000000 ] - [ 0.0000358800000000, 0.0004715900000000, 0.0011958000000000 ] - [ -0.0001763200000000, -0.0004073000000000, 0.0005703300000000 ] - [ -0.0005524600000000, -0.0006331100000000, 0.0000914400000000 ] - [ -0.0006411100000000, 0.0001857900000000, 0.0015438500000000 ] - [ -0.0009749000000000, -0.0006295300000000, 0.0012104100000000 ] - [ -0.0007201400000000, 0.0003687700000000, -0.0002124700000000 ] - [ 0.0003700500000000, 0.0001598200000000, 0.0002537200000000 ] - [ 0.0008006000000000, 0.0000376800000000, -0.0011915700000000 ] - [ 0.0004399100000000, -0.0003643600000000, -0.0001185800000000 ] - [ 0.0000347800000000, -0.0003829100000000, -0.0002645800000000 ] - [ 0.0001247400000000, 0.0002451200000000, 0.0001154600000000 ] - [ 0.0001619100000000, -0.0002696200000000, -0.0004263100000000 ] - [ 0.0004089500000000, 0.0003410700000000, 0.0000249800000000 ] - [ 0.0009346400000000, 0.0007863900000000, 0.0011206600000000 ] - [ -0.0008175600000000, -0.0002245900000000, 0.0000563700000000 ] - [ 0.0000113700000000, 0.0004585800000000, 0.0002245300000000 ] - [ 0.0039061500000000, 0.0055787600000000, 0.0076680100000000 ] - [ 0.0000822200000000, -0.0006396400000000, -0.0001160000000000 ] - [ 0.0003990900000000, -0.0002692000000000, -0.0000667200000000 ] - [ -0.0002458600000000, 0.0003870100000000, 0.0006527500000000 ] - [ 0.0001306100000000, 0.0005019900000000, 0.0002348600000000 ] - [ -0.0001641300000000, 0.0004249000000000, -0.0000606500000000 ] - [ -0.0000305400000000, 0.0003285100000000, -0.0000621700000000 ] - [ -0.0008963200000000, -0.0003717000000000, 0.0007667300000000 ] - [ -0.0000395300000000, -0.0005578100000000, -0.0010494500000000 ] - [ 0.0005774500000000, -0.0001020900000000, -0.0002069400000000 ] - [ -0.0000610600000000, -0.0002578100000000, 0.0003449900000000 ] - [ -0.0003204700000000, -0.0000865100000000, -0.0002095600000000 ] - [ -0.0002002300000000, -0.0003630400000000, 0.0001292600000000 ] - [ 0.0000551000000000, -0.0004913800000000, 0.0003072000000000 ] - [ -0.0002667700000000, 0.0000270700000000, -0.0002863700000000 ] - [ -0.0004220200000000, 0.0003793300000000, -0.0002232500000000 ] - [ -0.0027799800000000, -0.0033308400000000, 0.0001364800000000 ] - [ -0.0012129900000000, 0.0005452900000000, 0.0001800900000000 ] - [ -0.0007299000000000, 0.0010195700000000, -0.0013747100000000 ] - [ -0.0001200000000000, -0.0003309000000000, 0.0000863900000000 ] - [ 0.0002095800000000, 0.0003296300000000, -0.0001212600000000 ] - [ 0.0000127300000000, -0.0003831700000000, -0.0004236500000000 ] - [ -0.0007236500000000, 0.0006574700000000, -0.0001317200000000 ] - [ -0.0000608200000000, -0.0006653800000000, 0.0012031200000000 ] - [ -0.0002147200000000, -0.0004414800000000, -0.0001513500000000 ] - [ 0.0006914600000000, 0.0004129000000000, 0.0000147100000000 ] - [ 0.0005741200000000, -0.0001568700000000, 0.0011270200000000 ] - [ 0.0039639400000000, 0.0025466900000000, -0.0021121300000000 ] - [ 0.0007823900000000, -0.0010154500000000, 0.0020211400000000 ] - [ -0.0008176900000000, -0.0004107900000000, -0.0007538300000000 ] - [ 0.0000297600000000, 0.0004969900000000, 0.0000167300000000 ] - [ -0.0000939600000000, 0.0003771800000000, 0.0002119100000000 ] - [ -0.0002021400000000, 0.0003886400000000, -0.0001426300000000 ] - [ 0.0002185500000000, -0.0005976200000000, -0.0000740700000000 ] - [ -0.0000981100000000, 0.0005739700000000, 0.0002228900000000 ] - [ 0.0016411300000000, 0.0009118900000000, -0.0078974500000000 ] - [ -0.0010120500000000, -0.0007156600000000, 0.0004050500000000 ] - [ 0.0004565900000000, -0.0006124100000000, 0.0000767600000000 ] - [ -0.0001838400000000, 0.0005186300000000, 0.0001705100000000 ] - [ -0.0002440500000000, -0.0017110300000000, -0.0000229400000000 ] - [ 0.0006858400000000, -0.0002044100000000, 0.0002733300000000 ] - [ 0.0000653900000000, -0.0004192300000000, 0.0005037100000000 ] - [ 0.0003226800000000, -0.0003874400000000, 0.0000102400000000 ] - [ -0.0000411300000000, -0.0004081800000000, 0.0003281800000000 ]- atom: 78 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000132600000000, 0.0000969900000000, 0.0006995200000000 ] - [ 0.0029488900000000, 0.0028103000000000, -0.0021519200000000 ] - [ -0.0003173600000000, -0.0011068400000000, -0.0017489200000000 ] - [ -0.0022502400000000, 0.0004481800000000, 0.0036067800000000 ] - [ -0.0000598400000000, 0.0004407800000000, 0.0001658400000000 ] - [ -0.0000695400000000, 0.0003855700000000, 0.0000282600000000 ] - [ 0.0000345500000000, -0.0006026500000000, -0.0006097000000000 ] - [ 0.0001364000000000, -0.0005841300000000, 0.0004381800000000 ] - [ -0.0021035700000000, -0.0004353700000000, -0.0032836900000000 ] - [ 0.0002057100000000, -0.0000615000000000, 0.0010641000000000 ] - [ 0.0017555600000000, 0.0000170500000000, 0.0015375600000000 ] - [ -0.0001070400000000, -0.0000314800000000, 0.0008271100000000 ] - [ 0.0001800700000000, 0.0001847400000000, 0.0001377900000000 ] - [ -0.0001378400000000, 0.0001448900000000, 0.0004699900000000 ] - [ -0.0002004800000000, 0.0000552700000000, -0.0003004600000000 ] - [ 0.0003012200000000, -0.0002849400000000, -0.0010109400000000 ] - [ 0.0001491900000000, -0.0000383100000000, -0.0006886500000000 ] - [ 0.0001912100000000, -0.0001176000000000, 0.0007257900000000 ] - [ 0.0000435500000000, 0.0001136200000000, -0.0005912700000000 ] - [ -0.0003507100000000, -0.0000944600000000, 0.0010431000000000 ] - [ -0.0000115900000000, 0.0000629800000000, 0.0005531300000000 ] - [ -0.0000557000000000, 0.0001645500000000, -0.0002838500000000 ] - [ 0.0001578900000000, 0.0000510600000000, -0.0005539200000000 ] - [ -0.0002271100000000, -0.0000298200000000, -0.0007388700000000 ] - [ 0.0009244300000000, -0.0002431700000000, -0.0011044100000000 ] - [ 0.0011014200000000, -0.0014053200000000, 0.0016231900000000 ] - [ 0.0012915700000000, 0.0005375300000000, 0.0000533700000000 ] - [ -0.0003604600000000, 0.0019849900000000, 0.0028632700000000 ] - [ -0.0012528900000000, -0.0022529300000000, 0.0043427200000000 ] - [ 0.0060414800000000, -0.0013874100000000, -0.0004127400000000 ] - [ -0.0051282100000000, 0.0003158600000000, -0.0012639300000000 ] - [ -0.0007111600000000, -0.0006015400000000, 0.0000631200000000 ] - [ -0.0006280700000000, 0.0023685000000000, -0.0003982200000000 ] - [ -0.0005094200000000, -0.0000061600000000, -0.0020681900000000 ] - [ -0.0003721800000000, 0.0001572200000000, 0.0008701400000000 ] - [ 0.0038851500000000, 0.0134684400000000, -0.0560997200000000 ] - [ 0.0009569900000000, 0.0008141800000000, -0.0012380900000000 ] - [ -0.0015451800000000, 0.0041052300000000, 0.0057173500000000 ] - [ 0.0019633400000000, 0.0008426600000000, 0.0025396300000000 ] - [ -0.0013426200000000, 0.0002263900000000, 0.0003527400000000 ] - [ -0.0055184800000000, -0.0011841100000000, -0.0024388500000000 ] - [ 0.0006554200000000, 0.0003827800000000, 0.0030050700000000 ] - [ 0.0002181300000000, -0.0054146100000000, 0.0063162200000000 ] - [ -0.0011465700000000, 0.0000113400000000, 0.0008916100000000 ] - [ 0.0021253900000000, -0.0388010100000000, -0.0611823300000000 ] - [ -0.0014245500000000, 0.0026999500000000, 0.0026815800000000 ] - [ 0.0012926500000000, 0.0015741200000000, -0.0007971700000000 ] - [ -0.0032483100000000, 0.0020660200000000, -0.0059751500000000 ] - [ 0.0003549200000000, -0.0018601900000000, -0.0047114000000000 ] - [ -0.0004170600000000, 0.0004693300000000, 0.0008864700000000 ] - [ -0.0012332000000000, -0.0017930000000000, 0.0016718100000000 ] - [ 0.0004276600000000, -0.0001007300000000, -0.0000111800000000 ] - [ -0.0000615900000000, -0.0003090600000000, 0.0000531300000000 ] - [ -0.0007653500000000, -0.0002438100000000, 0.0002152100000000 ] - [ 0.0003097300000000, 0.0001293400000000, -0.0004640900000000 ] - [ 0.0047152000000000, 0.0004186400000000, -0.0000310300000000 ] - [ -0.0002021000000000, -0.0000099500000000, -0.0003012800000000 ] - [ -0.0005745200000000, 0.0002500800000000, -0.0005142600000000 ] - [ -0.0003916400000000, -0.0003278400000000, 0.0028831300000000 ] - [ 0.0002242300000000, 0.0000604500000000, 0.0000135400000000 ] - [ -0.0017886200000000, 0.0006929900000000, -0.0006516600000000 ] - [ -0.0003220900000000, 0.0003795100000000, 0.0004574000000000 ] - [ 0.0001342700000000, 0.0002449200000000, 0.0009327400000000 ] - [ 0.0006711400000000, 0.0001606300000000, 0.0004061700000000 ] - [ 0.0005212600000000, -0.0001553500000000, -0.0007798100000000 ] - [ 0.0004720800000000, -0.0002502200000000, 0.0008361600000000 ] - [ 0.0002444500000000, 0.0003088700000000, 0.0004037300000000 ] - [ 0.0009495600000000, -0.0002203400000000, 0.0003335900000000 ] - [ -0.0000951800000000, -0.0001575400000000, -0.0001042100000000 ] - [ 0.0004446600000000, 0.0001879300000000, -0.0001526900000000 ] - [ -0.0020917400000000, -0.0002430700000000, -0.0004314800000000 ] - [ -0.0008600600000000, 0.0001791700000000, -0.0008113000000000 ] - [ -0.0003669300000000, 0.0000615000000000, -0.0003519100000000 ] - [ -0.0002957900000000, -0.0017824000000000, 0.0001971000000000 ] - [ 0.0006633200000000, -0.0022352600000000, -0.0029889900000000 ] - [ 0.0009390200000000, 0.0002654000000000, 0.0004719000000000 ] - [ 0.0003617300000000, -0.0005531300000000, -0.0001624400000000 ] - [ -0.0066437200000000, 0.0202669200000000, 0.1668512000000000 ] - [ -0.0052825000000000, 0.0122140600000000, -0.0094768200000000 ] - [ 0.0034533100000000, -0.0043016900000000, -0.0009504400000000 ] - [ 0.0016334300000000, 0.0005299500000000, -0.0004380800000000 ] - [ 0.0003316300000000, 0.0002656500000000, -0.0004343800000000 ] - [ -0.0003201700000000, -0.0000474400000000, 0.0002204200000000 ] - [ 0.0000573900000000, 0.0007787300000000, -0.0012721600000000 ] - [ 0.0005138400000000, 0.0002226100000000, -0.0000839700000000 ] - [ 0.0005317800000000, -0.0007699900000000, -0.0004814200000000 ] - [ 0.0011822900000000, -0.0015790300000000, -0.0007684600000000 ] - [ -0.0004612600000000, -0.0010151300000000, -0.0011906100000000 ] - [ -0.0012582900000000, 0.0017304200000000, -0.0019678300000000 ] - [ 0.0001089900000000, -0.0000737000000000, -0.0002593200000000 ] - [ 0.0000388000000000, -0.0001342400000000, 0.0008865200000000 ] - [ -0.0009487700000000, 0.0001916500000000, -0.0005479300000000 ] - [ -0.0001580600000000, -0.0003851900000000, 0.0002271500000000 ] - [ 0.0020801800000000, -0.0034625500000000, 0.0047616200000000 ] - [ -0.0006708000000000, 0.0001353000000000, -0.0011054900000000 ] - [ -0.0054565000000000, 0.0030688100000000, 0.0026801600000000 ] - [ -0.0004157000000000, -0.0021058400000000, -0.0358114300000000 ] - [ -0.0001911800000000, 0.0000544800000000, -0.0011326500000000 ] - [ -0.0000091400000000, -0.0000727000000000, 0.0007096900000000 ] - [ -0.0000572000000000, 0.0000869800000000, 0.0006981200000000 ] - [ -0.0001051300000000, 0.0001915300000000, 0.0003722400000000 ] - [ -0.0017418200000000, 0.0003174000000000, 0.0000142200000000 ] - [ -0.0000397600000000, -0.0007025500000000, 0.0010949700000000 ] - [ -0.0007086900000000, -0.0005973400000000, -0.0016830800000000 ] - [ 0.0116590700000000, -0.0020592800000000, 0.0011492600000000 ] - [ -0.0007909100000000, 0.0005290700000000, 0.0033962000000000 ] - [ -0.0001710000000000, 0.0006041800000000, 0.0020464200000000 ] - [ -0.0003619100000000, -0.0005626500000000, -0.0003142100000000 ] - [ -0.0000315400000000, -0.0004544500000000, -0.0001484000000000 ] - [ 0.0005326300000000, 0.0006548900000000, -0.0002549200000000 ] - [ -0.0002137800000000, -0.0000997800000000, -0.0002927400000000 ] - [ -0.0000528000000000, 0.0003921700000000, 0.0004647000000000 ] - [ 0.0006884100000000, 0.0000780700000000, -0.0002068400000000 ] - [ -0.0013212000000000, 0.0000086900000000, 0.0014056300000000 ] - [ 0.0000948700000000, 0.0004248000000000, -0.0039812600000000 ] - [ -0.0011725900000000, 0.0006382100000000, -0.0018990700000000 ] - [ -0.0002557100000000, -0.0001094800000000, -0.0002956500000000 ] - [ 0.0109009800000000, 0.0032906900000000, 0.0021671800000000 ] - [ -0.0013666100000000, 0.0011122400000000, -0.0009069200000000 ] - [ 0.0003483900000000, -0.0002241700000000, 0.0003469300000000 ] - [ -0.0020256500000000, -0.0011776700000000, -0.0007512100000000 ] - [ 0.0012266300000000, -0.0008867300000000, -0.0005814700000000 ] - [ -0.0002692200000000, 0.0018934200000000, -0.0121055500000000 ] - [ 0.0000714200000000, -0.0003092300000000, 0.0000343000000000 ] - [ 0.0004238300000000, -0.0001624900000000, -0.0012044000000000 ] - [ 0.0001215800000000, -0.0004760600000000, -0.0003155900000000 ] - [ 0.0009429400000000, -0.0002382300000000, 0.0002102100000000 ] - [ 0.0005642300000000, -0.0009701200000000, -0.0013598000000000 ] - [ 0.0005272400000000, 0.0009493500000000, -0.0012222000000000 ] - [ 0.0007219000000000, 0.0007571800000000, 0.0000686500000000 ] - [ 0.0003785300000000, -0.0001636000000000, -0.0002579600000000 ] - [ -0.0003445300000000, -0.0003555300000000, 0.0011823700000000 ] - [ -0.0000504000000000, -0.0005105400000000, -0.0001937400000000 ] - [ 0.0000189600000000, -0.0004967900000000, 0.0000090100000000 ] - [ 0.0005877400000000, 0.0001446100000000, 0.0001092200000000 ] - [ -0.0000779800000000, -0.0005088100000000, 0.0002468300000000 ] - [ -0.0004049600000000, 0.0003057000000000, -0.0000284900000000 ] - [ -0.0008434300000000, 0.0000020500000000, -0.0013140100000000 ] - [ 0.0008103200000000, -0.0004217600000000, -0.0000578300000000 ] - [ -0.0000655600000000, 0.0004205400000000, -0.0004824800000000 ] - [ -0.0032059700000000, -0.0052377800000000, -0.0079492400000000 ] - [ -0.0007983400000000, 0.0002528900000000, 0.0003443200000000 ] - [ 0.0003106100000000, -0.0001245100000000, -0.0001546300000000 ] - [ -0.0005035400000000, -0.0003855000000000, -0.0006535200000000 ] - [ 0.0002611100000000, 0.0003680900000000, 0.0000760500000000 ] - [ 0.0005557200000000, 0.0004475500000000, -0.0002464500000000 ] - [ 0.0000849600000000, 0.0005570500000000, 0.0003215100000000 ] - [ -0.0006510700000000, 0.0003761500000000, -0.0007692400000000 ] - [ -0.0000453700000000, -0.0002225000000000, 0.0008808400000000 ] - [ 0.0009647400000000, 0.0001013800000000, 0.0002073200000000 ] - [ 0.0005196700000000, -0.0000537000000000, -0.0003399400000000 ] - [ -0.0001368900000000, -0.0002247700000000, 0.0002001400000000 ] - [ -0.0001916900000000, -0.0005088500000000, 0.0001788200000000 ] - [ -0.0000008300000000, -0.0003871100000000, -0.0000503300000000 ] - [ -0.0001930600000000, 0.0002840000000000, 0.0002996300000000 ] - [ 0.0003641300000000, 0.0005017700000000, 0.0004851100000000 ] - [ 0.0032458200000000, 0.0036474500000000, -0.0001108200000000 ] - [ 0.0005087200000000, -0.0001619400000000, -0.0004155800000000 ] - [ -0.0000176900000000, -0.0010294900000000, 0.0013855200000000 ] - [ 0.0001154200000000, -0.0003157100000000, -0.0000840600000000 ] - [ -0.0002079300000000, 0.0003165800000000, 0.0001228800000000 ] - [ -0.0000687300000000, -0.0005041500000000, 0.0001657200000000 ] - [ 0.0008160000000000, 0.0001177400000000, 0.0003149200000000 ] - [ 0.0001482200000000, -0.0001106900000000, -0.0010212300000000 ] - [ -0.0001765300000000, -0.0004285900000000, -0.0001597500000000 ] - [ -0.0014117500000000, -0.0000206900000000, 0.0002029500000000 ] - [ -0.0010343200000000, -0.0001614200000000, -0.0011366100000000 ] - [ -0.0040895800000000, -0.0018287700000000, 0.0022488400000000 ] - [ 0.0007669400000000, 0.0010264700000000, -0.0020326300000000 ] - [ -0.0007305600000000, 0.0004125600000000, 0.0007593100000000 ] - [ 0.0000242500000000, 0.0003873900000000, -0.0002755000000000 ] - [ 0.0000075400000000, 0.0004006300000000, -0.0003986500000000 ] - [ -0.0001896200000000, 0.0004884100000000, -0.0001656200000000 ] - [ -0.0002261100000000, -0.0005280500000000, 0.0002195900000000 ] - [ 0.0001005900000000, 0.0005515400000000, -0.0000780400000000 ] - [ -0.0008852200000000, -0.0009459300000000, 0.0079114700000000 ] - [ 0.0003037500000000, 0.0003251400000000, -0.0006285600000000 ] - [ -0.0004601700000000, -0.0005130900000000, -0.0002221500000000 ] - [ -0.0002075800000000, 0.0003572300000000, 0.0001392500000000 ] - [ 0.0009652700000000, 0.0013414500000000, 0.0002617300000000 ] - [ -0.0002318800000000, 0.0005180300000000, -0.0002832900000000 ] - [ -0.0001192400000000, -0.0004644200000000, -0.0002478700000000 ] - [ 0.0000670100000000, -0.0004925500000000, 0.0002976200000000 ] - [ -0.0000447900000000, -0.0003696000000000, -0.0001447300000000 ]- atom: 79 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000007400000000, -0.0002408400000000, 0.0008722300000000 ] - [ 0.0002682800000000, -0.0001403200000000, -0.0019043200000000 ] - [ -0.0030779500000000, -0.0052724300000000, -0.0056649800000000 ] - [ -0.0003945500000000, 0.0007988900000000, 0.0016262900000000 ] - [ -0.0011791200000000, 0.0003987700000000, -0.0010034300000000 ] - [ -0.0007397700000000, 0.0010096800000000, 0.0006064000000000 ] - [ -0.0009874000000000, -0.0011534700000000, 0.0003108200000000 ] - [ -0.0025397300000000, 0.0009385800000000, -0.0010526600000000 ] - [ 0.0014815500000000, -0.0005958500000000, -0.0010411200000000 ] - [ 0.0014233300000000, 0.0004200600000000, 0.0009256400000000 ] - [ 0.0028878600000000, -0.0012639000000000, -0.0000470200000000 ] - [ -0.0006029100000000, -0.0001090500000000, 0.0009266000000000 ] - [ 0.0024541100000000, 0.0015757900000000, 0.0003015200000000 ] - [ -0.0007611100000000, -0.0000418400000000, 0.0004507200000000 ] - [ -0.0006964900000000, 0.0001725200000000, -0.0003391000000000 ] - [ -0.0005779200000000, -0.0000483500000000, -0.0009427600000000 ] - [ -0.0003709300000000, -0.0001223800000000, -0.0005742100000000 ] - [ -0.0003459000000000, -0.0000940400000000, 0.0005681800000000 ] - [ -0.0005381000000000, 0.0000492800000000, -0.0006867500000000 ] - [ 0.0002260000000000, -0.0006258000000000, 0.0001979900000000 ] - [ -0.0005548100000000, 0.0001888600000000, 0.0007098700000000 ] - [ -0.0002223800000000, -0.0018356800000000, 0.0010415200000000 ] - [ -0.0004186900000000, 0.0022200100000000, -0.0007724900000000 ] - [ 0.0002202000000000, 0.0003950600000000, -0.0001888500000000 ] - [ -0.0025589700000000, -0.0005584700000000, -0.0008394000000000 ] - [ -0.0005508100000000, 0.0006260600000000, 0.0003646300000000 ] - [ -0.0019070700000000, 0.0004021500000000, -0.0002129300000000 ] - [ 0.0028539900000000, -0.0047108500000000, -0.0003688500000000 ] - [ 0.0218414700000000, -0.0090131200000000, 0.0108919500000000 ] - [ 0.0477641500000000, -0.0028840700000000, 0.0009934200000000 ] - [ -0.0101604700000000, 0.0016618800000000, 0.0002846900000000 ] - [ -0.0049297100000000, -0.0004590200000000, 0.0002348500000000 ] - [ 0.0037483800000000, 0.0011439300000000, -0.0010306600000000 ] - [ 0.0011665700000000, 0.0010787600000000, -0.0012986600000000 ] - [ -0.0034933300000000, 0.0005207700000000, 0.0006496900000000 ] - [ 0.0209042800000000, 0.0117055800000000, -0.0109728500000000 ] - [ -0.0000286700000000, -0.0004725800000000, -0.0011452000000000 ] - [ 0.0030515300000000, 0.0007161200000000, 0.0019815300000000 ] - [ 0.0000758600000000, 0.0009169100000000, 0.0013663800000000 ] - [ -0.0017032900000000, -0.0027146000000000, -0.0001173600000000 ] - [ -0.0016220400000000, 0.0022318400000000, -0.0000800400000000 ] - [ 0.0052190700000000, -0.0011744800000000, -0.0128602700000000 ] - [ 0.0016481200000000, 0.0002562100000000, 0.0006228600000000 ] - [ -0.0095937600000000, -0.0012323000000000, 0.0021997100000000 ] - [ 0.0023952500000000, 0.0063197700000000, -0.0001089500000000 ] - [ 0.0027068000000000, 0.0004356500000000, -0.0004366800000000 ] - [ -0.0004407000000000, 0.0005697300000000, -0.0011173500000000 ] - [ 0.0080012400000000, 0.0002613300000000, 0.0125103400000000 ] - [ 0.0035361400000000, 0.0005561000000000, 0.0002071600000000 ] - [ -0.0019813000000000, 0.0016716800000000, -0.0013117700000000 ] - [ 0.0021049200000000, 0.0004478500000000, 0.0000646700000000 ] - [ -0.0050948400000000, -0.0002381600000000, 0.0002405000000000 ] - [ -0.0027072800000000, -0.0012259900000000, -0.0004183300000000 ] - [ -0.0027382600000000, -0.0003989300000000, -0.0000723300000000 ] - [ -0.0002255000000000, 0.0040058700000000, 0.0004888500000000 ] - [ 0.0044408500000000, -0.0003375800000000, -0.0000805700000000 ] - [ -0.0013495200000000, -0.0004017600000000, -0.0000931200000000 ] - [ -0.0027243800000000, 0.0002370300000000, -0.0002185900000000 ] - [ 0.0027720400000000, -0.0004432300000000, -0.0000434300000000 ] - [ -0.0020661400000000, 0.0009007700000000, 0.0000160100000000 ] - [ -0.0017978400000000, -0.0017591200000000, 0.0018470100000000 ] - [ -0.0019223700000000, 0.0006854500000000, 0.0001418000000000 ] - [ 0.0002108100000000, 0.0016913600000000, -0.0005352000000000 ] - [ -0.0077620400000000, -0.0097726000000000, -0.0072191300000000 ] - [ -0.0071681800000000, 0.0063037300000000, 0.0066565900000000 ] - [ -0.0014761700000000, -0.0003322000000000, 0.0003867200000000 ] - [ -0.0020830900000000, -0.0000930300000000, -0.0001049900000000 ] - [ 0.0003708400000000, -0.0046092100000000, -0.0005096000000000 ] - [ -0.0056499700000000, -0.0003209300000000, 0.0008852700000000 ] - [ -0.0016705700000000, 0.0003612500000000, 0.0000376500000000 ] - [ -0.0000810000000000, -0.0015390200000000, 0.0001216700000000 ] - [ -0.0026190700000000, 0.0002607800000000, -0.0002637800000000 ] - [ 0.0008598700000000, 0.0003216700000000, -0.0001146500000000 ] - [ -0.0014015500000000, 0.0008154600000000, 0.0006814200000000 ] - [ -0.0059810700000000, -0.0024655800000000, -0.0046264500000000 ] - [ 0.0023831900000000, 0.0003907300000000, 0.0003386000000000 ] - [ 0.0012126100000000, 0.0010067800000000, -0.0005227000000000 ] - [ -0.0001258200000000, -0.0076712500000000, 0.0055810500000000 ] - [ -0.1426969000000000, 0.0003922300000000, 0.0040541400000000 ] - [ -0.0001313600000000, 0.0003438000000000, -0.0021695500000000 ] - [ 0.0134806400000000, 0.0078331300000000, -0.0094456700000000 ] - [ 0.0020934600000000, -0.0000945900000000, -0.0005355700000000 ] - [ -0.0007187800000000, -0.0003980800000000, 0.0000607200000000 ] - [ 0.0002454300000000, 0.0002301900000000, -0.0005717700000000 ] - [ 0.0031813000000000, 0.0000133100000000, -0.0002119300000000 ] - [ -0.0004052400000000, -0.0001425500000000, 0.0001858700000000 ] - [ -0.0021953400000000, -0.0001930700000000, -0.0002286600000000 ] - [ 0.0011695300000000, -0.0015976900000000, -0.0017513000000000 ] - [ 0.0004265600000000, 0.0001604100000000, 0.0002808400000000 ] - [ 0.0003737400000000, 0.0004523100000000, -0.0001060000000000 ] - [ -0.0013572500000000, 0.0000914800000000, 0.0009549100000000 ] - [ 0.0004350600000000, -0.0007114900000000, 0.0026817300000000 ] - [ 0.0009800800000000, -0.0005758100000000, 0.0002525200000000 ] - [ -0.0077280800000000, 0.0006782400000000, 0.0040995300000000 ] - [ 0.0060103200000000, 0.0059389900000000, 0.0114205100000000 ] - [ 0.0051402100000000, 0.0138906600000000, -0.0206437400000000 ] - [ -0.0032516900000000, -0.0081283100000000, -0.0009429400000000 ] - [ -0.0009567300000000, 0.0070562100000000, -0.0034525500000000 ] - [ -0.0025501700000000, -0.0007842300000000, -0.0018014700000000 ] - [ 0.0010361100000000, 0.0011869400000000, 0.0017920200000000 ] - [ 0.0009686800000000, 0.0001845600000000, 0.0003854800000000 ] - [ 0.0276204300000000, 0.0026895300000000, 0.0004543600000000 ] - [ 0.0003359600000000, 0.0016943400000000, -0.0032052700000000 ] - [ -0.0011723600000000, -0.0004644300000000, -0.0000763600000000 ] - [ 0.0006901000000000, -0.0001502500000000, 0.0001012800000000 ] - [ 0.0010494200000000, -0.0023070300000000, 0.0007541100000000 ] - [ 0.0057239900000000, -0.0055348900000000, -0.0137985500000000 ] - [ 0.0007078200000000, -0.0004034000000000, -0.0000385900000000 ] - [ -0.0036924100000000, 0.0060072900000000, -0.0003946800000000 ] - [ 0.0036690900000000, 0.0005561700000000, -0.0001565000000000 ] - [ 0.0015181600000000, -0.0006766700000000, -0.0002679100000000 ] - [ 0.0015987200000000, 0.0009172400000000, 0.0002442900000000 ] - [ 0.0028127300000000, -0.0002102500000000, 0.0002045300000000 ] - [ 0.0013481900000000, 0.0005830100000000, 0.0010574200000000 ] - [ -0.0009356600000000, 0.0004860400000000, -0.0007403500000000 ] - [ 0.0062487900000000, -0.0113835900000000, 0.0197953000000000 ] - [ -0.0008460900000000, -0.0001709400000000, -0.0003085300000000 ] - [ 0.0141527700000000, -0.0074677700000000, 0.0085682900000000 ] - [ -0.0005587700000000, 0.0007466600000000, -0.0001516700000000 ] - [ 0.0019597800000000, 0.0004521700000000, -0.0003645900000000 ] - [ 0.0004599900000000, -0.0002805800000000, -0.0000596000000000 ] - [ 0.0001887600000000, -0.0002045900000000, -0.0001335400000000 ] - [ -0.0009511200000000, 0.0006054100000000, 0.0004400100000000 ] - [ 0.0016128400000000, -0.0001478600000000, 0.0001482600000000 ] - [ -0.0001073400000000, -0.0008045100000000, 0.0025586800000000 ] - [ 0.0008892300000000, 0.0016255200000000, -0.0007300000000000 ] - [ 0.0009255800000000, -0.0019521100000000, -0.0003433000000000 ] - [ -0.0025870700000000, 0.0006935600000000, 0.0024170100000000 ] - [ -0.0013626400000000, 0.0003057600000000, -0.0001197100000000 ] - [ 0.0010595900000000, 0.0005897400000000, -0.0001899700000000 ] - [ 0.0014132300000000, 0.0002317500000000, 0.0001719700000000 ] - [ -0.0010731000000000, -0.0012832300000000, 0.0000541900000000 ] - [ 0.0007504700000000, 0.0033853600000000, -0.0004860800000000 ] - [ 0.0006984500000000, -0.0010436900000000, -0.0003632400000000 ] - [ 0.0018490600000000, 0.0001156300000000, 0.0001384800000000 ] - [ 0.0007108500000000, -0.0002459900000000, -0.0000153800000000 ] - [ 0.0020746500000000, 0.0006495600000000, 0.0001001400000000 ] - [ -0.0012787800000000, 0.0014616200000000, -0.0000248900000000 ] - [ 0.0023094800000000, -0.0001696700000000, -0.0000961900000000 ] - [ 0.0003806500000000, -0.0007902000000000, 0.0007612800000000 ] - [ -0.0022079000000000, 0.0001040100000000, -0.0002746100000000 ] - [ 0.0004214100000000, -0.0001304100000000, 0.0002266000000000 ] - [ 0.0013793900000000, -0.0001722000000000, -0.0001080600000000 ] - [ -0.0015131100000000, 0.0008212700000000, 0.0006429900000000 ] - [ 0.0002472200000000, -0.0004963400000000, 0.0004044200000000 ] - [ 0.0002590300000000, 0.0013331100000000, -0.0001714100000000 ] - [ 0.0005457800000000, 0.0006102000000000, 0.0000855300000000 ] - [ 0.0003521600000000, 0.0004083600000000, -0.0004148300000000 ] - [ -0.0011552700000000, -0.0005671900000000, -0.0000705700000000 ] - [ 0.0021199700000000, -0.0001086700000000, -0.0000874700000000 ] - [ 0.0014249200000000, 0.0003721900000000, -0.0000524200000000 ] - [ 0.0009377500000000, -0.0004573500000000, 0.0001082500000000 ] - [ 0.0005838600000000, -0.0009198500000000, 0.0001094300000000 ] - [ 0.0007622300000000, 0.0000300700000000, 0.0002903800000000 ] - [ 0.0006456100000000, 0.0002766500000000, 0.0000732100000000 ] - [ 0.0002768900000000, 0.0015917400000000, -0.0005315100000000 ] - [ -0.0006937100000000, 0.0003661500000000, -0.0000540700000000 ] - [ 0.0011021400000000, 0.0002995300000000, -0.0001183200000000 ] - [ 0.0005915900000000, -0.0007324100000000, 0.0006941600000000 ] - [ 0.0012704200000000, -0.0004052200000000, -0.0000065300000000 ] - [ 0.0067984400000000, -0.0004274100000000, -0.0007862800000000 ] - [ 0.0004702700000000, -0.0036522600000000, -0.0011900100000000 ] - [ 0.0011772400000000, -0.0001385800000000, 0.0002407100000000 ] - [ -0.0008116900000000, -0.0007192000000000, -0.0000161700000000 ] - [ 0.0004854700000000, -0.0000055100000000, -0.0003858900000000 ] - [ -0.0019583200000000, 0.0000960300000000, 0.0000927000000000 ] - [ -0.0025141200000000, -0.0002450000000000, -0.0000305100000000 ] - [ -0.0022589700000000, 0.0002554400000000, 0.0002443800000000 ] - [ -0.0013536700000000, 0.0012257500000000, -0.0007706200000000 ] - [ -0.0020089100000000, -0.0004649100000000, -0.0003559500000000 ] - [ 0.0007005900000000, 0.0002316000000000, 0.0001544400000000 ] - [ 0.0010205800000000, 0.0006961200000000, -0.0001563400000000 ] - [ 0.0003022700000000, 0.0007026100000000, -0.0000322900000000 ] - [ 0.0018040500000000, -0.0008511800000000, 0.0000632200000000 ] - [ 0.0020111900000000, 0.0003465600000000, 0.0003871400000000 ] - [ -0.0015129300000000, -0.0023018900000000, 0.0016412200000000 ] - [ -0.0012539400000000, -0.0001391200000000, -0.0000445700000000 ] - [ 0.0066524200000000, -0.0001126000000000, 0.0012306300000000 ] - [ 0.0002309500000000, 0.0003934400000000, 0.0001674800000000 ] - [ -0.0008631100000000, -0.0002418600000000, 0.0001879900000000 ] - [ 0.0008491600000000, 0.0001316400000000, -0.0001502600000000 ] - [ 0.0006105000000000, 0.0028975800000000, 0.0015272700000000 ] - [ 0.0009355300000000, -0.0036243400000000, -0.0003013600000000 ] - [ 0.0007875500000000, -0.0005065200000000, -0.0000651500000000 ]- atom: 79 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000135600000000, 0.0011989900000000, -0.0013160000000000 ] - [ -0.0002861800000000, 0.0010976800000000, 0.0023513200000000 ] - [ 0.0029569400000000, 0.0042421100000000, 0.0051417500000000 ] - [ 0.0003711400000000, -0.0017543500000000, -0.0011551400000000 ] - [ 0.0011711300000000, 0.0005647600000000, 0.0005379800000000 ] - [ 0.0007345700000000, -0.0000382300000000, -0.0001467600000000 ] - [ 0.0009827800000000, 0.0001799200000000, -0.0007577500000000 ] - [ 0.0025162500000000, -0.0018829600000000, 0.0014895800000000 ] - [ -0.0012662600000000, 0.0004039500000000, -0.0002454300000000 ] - [ -0.0012089600000000, -0.0006024300000000, 0.0003619100000000 ] - [ -0.0026441700000000, 0.0014627400000000, -0.0012055600000000 ] - [ 0.0004010100000000, -0.0000775800000000, 0.0003507800000000 ] - [ -0.0022221500000000, -0.0013914300000000, 0.0009607700000000 ] - [ 0.0005604800000000, 0.0002303400000000, 0.0008259100000000 ] - [ 0.0004944000000000, 0.0000138400000000, -0.0009401900000000 ] - [ 0.0003763800000000, -0.0001390200000000, -0.0003360700000000 ] - [ 0.0005648900000000, -0.0000644000000000, -0.0007017500000000 ] - [ 0.0005396500000000, -0.0000941600000000, 0.0007100400000000 ] - [ 0.0007309100000000, 0.0001393000000000, -0.0005908600000000 ] - [ -0.0004168800000000, 0.0004330600000000, 0.0010733900000000 ] - [ 0.0007472800000000, -0.0000022900000000, 0.0005708700000000 ] - [ 0.0000326200000000, 0.0020089200000000, 0.0002406300000000 ] - [ 0.0002242600000000, -0.0020126100000000, -0.0005084600000000 ] - [ -0.0004112400000000, -0.0005783200000000, -0.0010852000000000 ] - [ 0.0035715600000000, 0.0005589300000000, 0.0008451900000000 ] - [ 0.0001376600000000, -0.0003916500000000, -0.0000165000000000 ] - [ 0.0018883500000000, 0.0004121300000000, 0.0002103700000000 ] - [ -0.0024533600000000, 0.0043855500000000, 0.0000333700000000 ] - [ -0.0222112000000000, 0.0082310900000000, -0.0110918200000000 ] - [ -0.0427606200000000, 0.0018855800000000, -0.0009825000000000 ] - [ 0.0097516500000000, -0.0019110600000000, 0.0000569800000000 ] - [ 0.0049030400000000, -0.0003522100000000, -0.0002327500000000 ] - [ -0.0033384300000000, -0.0009234300000000, 0.0006632900000000 ] - [ -0.0016531300000000, -0.0005168000000000, 0.0008627900000000 ] - [ 0.0024411300000000, -0.0005176300000000, -0.0006564400000000 ] - [ -0.0204008600000000, -0.0117654100000000, 0.0110875700000000 ] - [ 0.0004966100000000, 0.0010236300000000, 0.0007299900000000 ] - [ -0.0035252700000000, -0.0001297200000000, -0.0015132400000000 ] - [ 0.0003816200000000, -0.0003720800000000, -0.0009517800000000 ] - [ 0.0012706100000000, 0.0024875000000000, -0.0002283500000000 ] - [ 0.0020568500000000, -0.0027882100000000, 0.0004878000000000 ] - [ -0.0040935400000000, 0.0011709300000000, 0.0127429600000000 ] - [ -0.0012458100000000, -0.0000130200000000, -0.0002675500000000 ] - [ 0.0100668800000000, 0.0006971000000000, -0.0026239100000000 ] - [ -0.0028653400000000, -0.0067518700000000, 0.0005151000000000 ] - [ -0.0026669600000000, 0.0003769100000000, 0.0004267800000000 ] - [ 0.0000300700000000, -0.0003347300000000, 0.0007720300000000 ] - [ -0.0088809100000000, -0.0002881000000000, -0.0124117100000000 ] - [ -0.0024617500000000, -0.0005477800000000, -0.0002082400000000 ] - [ 0.0015795100000000, -0.0014233900000000, 0.0016402400000000 ] - [ -0.0020776000000000, 0.0003645100000000, -0.0000609200000000 ] - [ 0.0054448100000000, -0.0000030500000000, -0.0005848000000000 ] - [ 0.0022011000000000, 0.0006626700000000, -0.0000012900000000 ] - [ 0.0027148300000000, -0.0004144900000000, 0.0000693300000000 ] - [ -0.0001584000000000, -0.0041846600000000, -0.0001410000000000 ] - [ -0.0043775200000000, -0.0004755700000000, 0.0000756500000000 ] - [ 0.0017386800000000, 0.0006249800000000, -0.0002518700000000 ] - [ 0.0022254600000000, 0.0003103600000000, -0.0001962800000000 ] - [ -0.0037575000000000, 0.0004334000000000, 0.0000476200000000 ] - [ 0.0024458700000000, -0.0011192900000000, 0.0003299600000000 ] - [ 0.0022789500000000, 0.0022860500000000, -0.0022388700000000 ] - [ 0.0014275000000000, -0.0001321500000000, 0.0002719400000000 ] - [ 0.0002876700000000, -0.0011288000000000, 0.0009457300000000 ] - [ 0.0072990400000000, 0.0094067700000000, 0.0067645000000000 ] - [ 0.0075871000000000, -0.0067620100000000, -0.0061391900000000 ] - [ 0.0024870900000000, 0.0003312400000000, -0.0003870000000000 ] - [ 0.0024658900000000, 0.0003243000000000, 0.0004474800000000 ] - [ 0.0001304500000000, 0.0040077300000000, 0.0000892700000000 ] - [ 0.0051130600000000, -0.0002270500000000, -0.0004582300000000 ] - [ 0.0016538000000000, 0.0004521800000000, -0.0000349100000000 ] - [ -0.0003049600000000, 0.0017553400000000, -0.0004644200000000 ] - [ 0.0015704400000000, -0.0002591200000000, 0.0002648300000000 ] - [ -0.0013103000000000, -0.0000152400000000, 0.0001065500000000 ] - [ 0.0014070800000000, 0.0003129300000000, -0.0008236300000000 ] - [ 0.0066829000000000, 0.0024322200000000, 0.0044809800000000 ] - [ -0.0019180300000000, -0.0006919500000000, -0.0003512700000000 ] - [ -0.0008149200000000, -0.0018803400000000, 0.0002127300000000 ] - [ 0.0001298400000000, 0.0066635300000000, -0.0057429600000000 ] - [ 0.1379158600000000, 0.0002489800000000, -0.0037562600000000 ] - [ 0.0002058100000000, -0.0011088400000000, 0.0019714600000000 ] - [ -0.0136086200000000, -0.0072781200000000, 0.0095650600000000 ] - [ -0.0020027000000000, 0.0008633200000000, 0.0003561400000000 ] - [ 0.0007377400000000, -0.0002482400000000, -0.0000628300000000 ] - [ -0.0002946200000000, 0.0006589300000000, 0.0003073500000000 ] - [ -0.0024503100000000, 0.0003737300000000, -0.0000156000000000 ] - [ -0.0003124100000000, -0.0002437300000000, 0.0000425700000000 ] - [ 0.0028765300000000, -0.0001915200000000, -0.0000024900000000 ] - [ -0.0019092300000000, 0.0015976800000000, 0.0017501400000000 ] - [ -0.0000309800000000, 0.0007154600000000, 0.0000278700000000 ] - [ 0.0000216400000000, 0.0004207600000000, -0.0002034000000000 ] - [ 0.0014068300000000, 0.0007895100000000, -0.0006873000000000 ] - [ -0.0019748900000000, 0.0007039700000000, -0.0026509600000000 ] - [ -0.0010558100000000, -0.0001965000000000, -0.0004348800000000 ] - [ 0.0091734600000000, -0.0006627400000000, -0.0039633700000000 ] - [ -0.0055302400000000, -0.0061270000000000, -0.0112356700000000 ] - [ -0.0056034300000000, -0.0139465600000000, 0.0203339000000000 ] - [ 0.0028833200000000, 0.0070942500000000, 0.0012648100000000 ] - [ 0.0009640600000000, -0.0078222900000000, 0.0036607500000000 ] - [ 0.0020672200000000, 0.0010877200000000, 0.0017980800000000 ] - [ -0.0010902200000000, -0.0003020500000000, -0.0015334000000000 ] - [ -0.0005032000000000, 0.0001188000000000, -0.0003766800000000 ] - [ -0.0277776100000000, -0.0022469600000000, -0.0006698300000000 ] - [ -0.0010964700000000, -0.0016637400000000, 0.0031606000000000 ] - [ 0.0011983700000000, -0.0001818800000000, 0.0000767600000000 ] - [ -0.0006437500000000, 0.0007885300000000, -0.0000965000000000 ] - [ -0.0011009100000000, 0.0014391100000000, -0.0010175700000000 ] - [ -0.0056212800000000, 0.0061906000000000, 0.0137493600000000 ] - [ -0.0006160500000000, -0.0003663000000000, 0.0002214100000000 ] - [ 0.0033334400000000, -0.0067202000000000, 0.0000603500000000 ] - [ -0.0043615200000000, -0.0001667500000000, 0.0003834200000000 ] - [ -0.0019600900000000, 0.0003677500000000, 0.0002797200000000 ] - [ -0.0016708800000000, -0.0001427800000000, -0.0000641700000000 ] - [ -0.0012606000000000, 0.0002067000000000, -0.0001981700000000 ] - [ -0.0028697900000000, -0.0005832200000000, -0.0010580400000000 ] - [ 0.0009849100000000, 0.0003851000000000, 0.0004670600000000 ] - [ -0.0063174000000000, 0.0119355500000000, -0.0196654200000000 ] - [ 0.0004501200000000, 0.0010394100000000, -0.0000008700000000 ] - [ -0.0142483200000000, 0.0064318000000000, -0.0085413800000000 ] - [ 0.0005655400000000, 0.0003791600000000, 0.0002928000000000 ] - [ -0.0011967300000000, -0.0004488400000000, 0.0003610600000000 ] - [ -0.0011578900000000, -0.0001099600000000, -0.0001645300000000 ] - [ -0.0001419900000000, -0.0009161000000000, -0.0000131400000000 ] - [ 0.0005558400000000, 0.0002626900000000, -0.0001296200000000 ] - [ -0.0008942100000000, -0.0002444400000000, 0.0000738500000000 ] - [ 0.0005500900000000, 0.0011015100000000, -0.0025406700000000 ] - [ -0.0009384600000000, -0.0025210400000000, 0.0009928600000000 ] - [ -0.0005263200000000, 0.0010894500000000, 0.0006560100000000 ] - [ 0.0024705900000000, -0.0014566700000000, -0.0022115900000000 ] - [ 0.0008927600000000, 0.0000012800000000, 0.0001062000000000 ] - [ -0.0010519700000000, 0.0005349800000000, 0.0000439500000000 ] - [ -0.0006518600000000, -0.0002333000000000, -0.0001738200000000 ] - [ 0.0015092600000000, 0.0009645000000000, -0.0000623300000000 ] - [ -0.0003585600000000, -0.0042124400000000, 0.0001704200000000 ] - [ -0.0006385200000000, 0.0001524900000000, 0.0000981600000000 ] - [ -0.0011267500000000, 0.0002718300000000, 0.0000883500000000 ] - [ -0.0006205200000000, -0.0005264700000000, -0.0001659100000000 ] - [ -0.0020524600000000, -0.0000008100000000, -0.0001013000000000 ] - [ 0.0013395800000000, -0.0006775400000000, -0.0001576900000000 ] - [ -0.0023073000000000, -0.0004734500000000, 0.0000930100000000 ] - [ -0.0004344400000000, 0.0016590200000000, -0.0010119000000000 ] - [ 0.0028851000000000, 0.0002877200000000, 0.0000503100000000 ] - [ -0.0011210000000000, -0.0002632200000000, -0.0000050800000000 ] - [ -0.0006616400000000, -0.0002218000000000, -0.0001130500000000 ] - [ 0.0007410400000000, -0.0008069500000000, -0.0006317900000000 ] - [ 0.0001424300000000, 0.0013557400000000, -0.0000916500000000 ] - [ 0.0001291100000000, -0.0004536800000000, -0.0001381300000000 ] - [ -0.0004872800000000, 0.0002819100000000, 0.0001757200000000 ] - [ -0.0018738600000000, -0.0004093400000000, 0.0004135700000000 ] - [ 0.0010581000000000, -0.0002082900000000, -0.0001088900000000 ] - [ -0.0005694600000000, 0.0001055300000000, 0.0000844300000000 ] - [ -0.0009579700000000, -0.0006757600000000, 0.0000613100000000 ] - [ -0.0013829900000000, 0.0001477200000000, -0.0001188400000000 ] - [ -0.0009685700000000, 0.0000431900000000, 0.0001997100000000 ] - [ -0.0007009700000000, -0.0009013600000000, -0.0000256600000000 ] - [ -0.0010965300000000, 0.0000304200000000, -0.0000627100000000 ] - [ -0.0003329500000000, -0.0006987800000000, 0.0007859000000000 ] - [ 0.0011336800000000, -0.0000601400000000, 0.0000656000000000 ] - [ -0.0017963000000000, 0.0000893500000000, -0.0001079100000000 ] - [ -0.0013336700000000, 0.0007250100000000, -0.0006864300000000 ] - [ -0.0012742200000000, -0.0002403700000000, 0.0000083700000000 ] - [ -0.0067219300000000, 0.0010625700000000, 0.0007769300000000 ] - [ -0.0005228100000000, 0.0027206400000000, 0.0009115500000000 ] - [ -0.0010827500000000, 0.0009095500000000, -0.0000597500000000 ] - [ 0.0008825500000000, -0.0000555100000000, 0.0001937300000000 ] - [ -0.0008710200000000, -0.0008547000000000, 0.0000723700000000 ] - [ 0.0012229100000000, 0.0002966200000000, 0.0001278000000000 ] - [ 0.0020259300000000, -0.0000538200000000, 0.0000397600000000 ] - [ 0.0021472700000000, 0.0005102600000000, -0.0000601000000000 ] - [ 0.0028653700000000, -0.0012032500000000, 0.0007537600000000 ] - [ 0.0004505700000000, 0.0004596700000000, 0.0003526400000000 ] - [ -0.0006405500000000, 0.0006531400000000, -0.0004112800000000 ] - [ -0.0010965700000000, 0.0000795300000000, -0.0000245100000000 ] - [ -0.0006898300000000, 0.0001788000000000, -0.0002748300000000 ] - [ -0.0018004000000000, -0.0002772400000000, 0.0000811500000000 ] - [ -0.0019956500000000, 0.0007757700000000, -0.0002385200000000 ] - [ 0.0022439500000000, 0.0022613400000000, -0.0016129400000000 ] - [ 0.0005302800000000, -0.0002496300000000, -0.0001806000000000 ] - [ -0.0065889800000000, -0.0010053700000000, -0.0013575300000000 ] - [ -0.0006190100000000, 0.0004827200000000, 0.0001403600000000 ] - [ 0.0015597400000000, -0.0001500000000000, 0.0000376800000000 ] - [ -0.0003836900000000, 0.0001716000000000, 0.0001400200000000 ] - [ -0.0006614700000000, -0.0037450700000000, -0.0012453300000000 ] - [ -0.0005408800000000, 0.0027046700000000, 0.0006048000000000 ] - [ -0.0008647500000000, -0.0002678600000000, 0.0002465100000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012115800000000, -0.0007191100000000, 0.0020603800000000 ] - [ 0.0013409100000000, 0.0017022300000000, 0.0035291500000000 ] - [ -0.0036465400000000, 0.0021285100000000, -0.0050397200000000 ] - [ 0.0016552800000000, -0.0032192700000000, -0.0027875000000000 ] - [ 0.0001013900000000, 0.0006676500000000, -0.0000098500000000 ] - [ 0.0000087900000000, 0.0003148000000000, 0.0003280000000000 ] - [ -0.0001441300000000, -0.0005506600000000, -0.0003942100000000 ] - [ 0.0004840900000000, -0.0006056000000000, 0.0002165800000000 ] - [ -0.0011130500000000, -0.0000162200000000, 0.0013494000000000 ] - [ 0.0009940900000000, -0.0001958200000000, 0.0022625900000000 ] - [ -0.0020934500000000, -0.0013003800000000, -0.0036510900000000 ] - [ -0.0003268200000000, -0.0001131200000000, 0.0009852800000000 ] - [ 0.0014007800000000, -0.0017256000000000, -0.0014961600000000 ] - [ -0.0003574700000000, 0.0000525500000000, 0.0003508000000000 ] - [ 0.0001780100000000, 0.0001490700000000, -0.0010539000000000 ] - [ 0.0001753600000000, -0.0001088100000000, -0.0002416300000000 ] - [ 0.0001542100000000, -0.0000854000000000, -0.0006156200000000 ] - [ 0.0000800900000000, -0.0000726500000000, 0.0006762400000000 ] - [ -0.0000298100000000, 0.0000471000000000, -0.0006693500000000 ] - [ 0.0000098300000000, -0.0000033000000000, 0.0006892200000000 ] - [ 0.0003147100000000, 0.0000477600000000, 0.0006064900000000 ] - [ -0.0014430300000000, -0.0008585100000000, 0.0004212300000000 ] - [ 0.0008912800000000, -0.0008037300000000, -0.0007637300000000 ] - [ -0.0002526100000000, -0.0000922000000000, -0.0006706500000000 ] - [ 0.0015537600000000, 0.0007186500000000, 0.0005205800000000 ] - [ -0.0002686900000000, -0.0003414300000000, 0.0005876300000000 ] - [ 0.0000731200000000, 0.0004700700000000, 0.0008148000000000 ] - [ 0.0005836800000000, -0.0172309300000000, -0.0010759000000000 ] - [ -0.0001712700000000, 0.0045420800000000, 0.0026097200000000 ] - [ 0.0041800900000000, 0.0187008200000000, -0.0130738300000000 ] - [ 0.0101211300000000, 0.0004980900000000, -0.0017881100000000 ] - [ 0.0003957000000000, 0.0006910000000000, -0.0015397300000000 ] - [ 0.0006036800000000, 0.0019025000000000, 0.0015414100000000 ] - [ 0.0006526300000000, -0.0030309500000000, 0.0022128000000000 ] - [ -0.0013598200000000, 0.0004902300000000, 0.0002617600000000 ] - [ -0.0027630400000000, 0.0225406600000000, -0.0052590600000000 ] - [ 0.0005622200000000, -0.0010584100000000, 0.0004150700000000 ] - [ -0.0016527600000000, 0.0050144500000000, 0.0036746900000000 ] - [ -0.0000911900000000, 0.0017273200000000, 0.0012551400000000 ] - [ -0.0034194400000000, -0.0027643800000000, -0.0012764900000000 ] - [ 0.0047172300000000, -0.0030624100000000, 0.0001619000000000 ] - [ 0.0038231600000000, 0.0065362700000000, 0.0029090300000000 ] - [ -0.0001211600000000, -0.0011912700000000, 0.0015880000000000 ] - [ -0.0093840700000000, 0.0008182000000000, -0.0000180600000000 ] - [ -0.0014471600000000, -0.0200065700000000, -0.0017209500000000 ] - [ 0.0000281000000000, 0.0006350200000000, 0.0034612000000000 ] - [ -0.0000416100000000, 0.0010023600000000, 0.0003142100000000 ] - [ -0.0037083200000000, 0.0090245300000000, 0.0035373700000000 ] - [ -0.0019588700000000, -0.0017000500000000, 0.0004495900000000 ] - [ 0.0005203600000000, 0.0001780000000000, 0.0011357200000000 ] - [ -0.0001819700000000, 0.0000345500000000, 0.0020726000000000 ] - [ 0.0002973900000000, 0.0000675500000000, -0.0003832200000000 ] - [ -0.0001964800000000, -0.0003630800000000, -0.0003980000000000 ] - [ 0.0001936700000000, -0.0012194900000000, -0.0010183100000000 ] - [ -0.0001767900000000, -0.0011232900000000, -0.0003540100000000 ] - [ -0.0002759500000000, -0.0037580300000000, -0.0032202600000000 ] - [ 0.0001417100000000, 0.0000467400000000, 0.0000458800000000 ] - [ -0.0002826300000000, 0.0003932700000000, -0.0000467900000000 ] - [ 0.0017279900000000, -0.0017741200000000, 0.0006190200000000 ] - [ 0.0003551200000000, -0.0003517100000000, 0.0000176200000000 ] - [ -0.0006086600000000, 0.0007731500000000, 0.0005177300000000 ] - [ -0.0000702800000000, 0.0001113800000000, 0.0003582400000000 ] - [ 0.0006262700000000, -0.0003260200000000, 0.0007887000000000 ] - [ -0.0014176000000000, 0.0014756100000000, -0.0003305800000000 ] - [ 0.0021804100000000, 0.0002048900000000, -0.0009751300000000 ] - [ 0.0001005600000000, -0.0004557400000000, 0.0002009200000000 ] - [ 0.0003836600000000, 0.0001460200000000, 0.0004419300000000 ] - [ 0.0002148100000000, -0.0007775000000000, -0.0007115700000000 ] - [ 0.0003612500000000, -0.0001071300000000, -0.0000680600000000 ] - [ 0.0000206800000000, 0.0003125600000000, 0.0005763100000000 ] - [ -0.0006906900000000, -0.0002167300000000, 0.0004419200000000 ] - [ 0.0002416500000000, -0.0004362400000000, 0.0002288700000000 ] - [ -0.0001568200000000, 0.0000472200000000, -0.0003127000000000 ] - [ -0.0003383300000000, -0.0000560200000000, -0.0000895100000000 ] - [ -0.0011320400000000, -0.0085548700000000, -0.0065967500000000 ] - [ -0.0013154500000000, -0.0011764700000000, 0.0002185300000000 ] - [ 0.0010675400000000, 0.0003572400000000, 0.0001739800000000 ] - [ 0.0018361200000000, 0.0181763700000000, -0.0122518200000000 ] - [ 0.0008779300000000, -0.1061416600000000, 0.0644100000000000 ] - [ 0.0007341100000000, -0.0012496400000000, -0.0022181700000000 ] - [ 0.0167554200000000, 0.0007072800000000, -0.0035457600000000 ] - [ 0.0014005000000000, -0.0004123100000000, 0.0004099600000000 ] - [ -0.0007266300000000, -0.0000442600000000, -0.0004331700000000 ] - [ -0.0001823900000000, 0.0000014800000000, 0.0003217900000000 ] - [ 0.0001670000000000, 0.0000888000000000, 0.0000542400000000 ] - [ -0.0003058900000000, -0.0006729900000000, -0.0006835600000000 ] - [ 0.0003647600000000, 0.0000888800000000, -0.0015080500000000 ] - [ 0.0005863200000000, -0.0016764900000000, -0.0014208200000000 ] - [ 0.0000089800000000, 0.0004548700000000, -0.0006423300000000 ] - [ 0.0002926600000000, 0.0003160500000000, -0.0007714100000000 ] - [ -0.0001390200000000, 0.0011637400000000, 0.0015025100000000 ] - [ -0.0020412300000000, -0.0008788300000000, 0.0000061500000000 ] - [ -0.0001809700000000, -0.0005072200000000, -0.0004934200000000 ] - [ 0.0020117700000000, -0.0052716600000000, -0.0029384900000000 ] - [ 0.0055050000000000, -0.0019623400000000, 0.0042902700000000 ] - [ 0.0191573400000000, -0.0003209800000000, -0.0137495000000000 ] - [ -0.0011750700000000, 0.0218346200000000, 0.0014909100000000 ] - [ -0.0016258100000000, 0.0159809100000000, -0.0052717000000000 ] - [ 0.0000087400000000, -0.0007280400000000, -0.0018424300000000 ] - [ 0.0005012800000000, 0.0010137800000000, 0.0011024200000000 ] - [ 0.0001071000000000, -0.0000087600000000, -0.0004051000000000 ] - [ -0.0029781700000000, 0.0020225300000000, 0.0002733500000000 ] - [ 0.0005523100000000, -0.0013815300000000, 0.0005561600000000 ] - [ 0.0008960900000000, -0.0006921900000000, -0.0006536700000000 ] - [ -0.0052172800000000, 0.0018637400000000, 0.0002309800000000 ] - [ -0.0011551700000000, 0.0006420500000000, -0.0005854200000000 ] - [ -0.0063405000000000, -0.0010021900000000, 0.0067659400000000 ] - [ 0.0001957800000000, -0.0004965400000000, -0.0002945300000000 ] - [ 0.0023555600000000, 0.0245871100000000, -0.0022756700000000 ] - [ -0.0007250400000000, -0.0029335300000000, 0.0028443000000000 ] - [ -0.0002667900000000, -0.0003867400000000, 0.0003654700000000 ] - [ -0.0001986000000000, 0.0000613800000000, 0.0004078100000000 ] - [ 0.0010310300000000, -0.0001063000000000, 0.0000156000000000 ] - [ -0.0018478500000000, -0.0012945100000000, -0.0006777500000000 ] - [ 0.0001746800000000, -0.0004773500000000, 0.0014023500000000 ] - [ -0.0149068700000000, 0.0005088500000000, -0.0108855800000000 ] - [ -0.0001790800000000, 0.0002724400000000, -0.0016423700000000 ] - [ -0.0180854900000000, -0.0021753400000000, -0.0045156600000000 ] - [ 0.0001956900000000, 0.0009687100000000, 0.0000553000000000 ] - [ 0.0000498400000000, -0.0002264600000000, 0.0001183300000000 ] - [ -0.0004449100000000, -0.0002045700000000, -0.0005831300000000 ] - [ 0.0042476600000000, 0.0015055300000000, -0.0000282600000000 ] - [ -0.0001418600000000, 0.0001660900000000, -0.0017544500000000 ] - [ 0.0003042500000000, -0.0003830400000000, -0.0001439100000000 ] - [ -0.0003248500000000, -0.0003129300000000, -0.0016590600000000 ] - [ 0.0008286200000000, 0.0008096800000000, -0.0002264100000000 ] - [ -0.0006735500000000, 0.0005672100000000, 0.0009723200000000 ] - [ -0.0001662400000000, -0.0011672500000000, -0.0018653700000000 ] - [ -0.0003802000000000, 0.0004895700000000, -0.0009292100000000 ] - [ 0.0002425500000000, 0.0006644700000000, -0.0001341500000000 ] - [ 0.0004369200000000, 0.0001202700000000, 0.0000635400000000 ] - [ 0.0003151600000000, 0.0009536100000000, 0.0007996900000000 ] - [ 0.0005427700000000, -0.0005269300000000, 0.0004347000000000 ] - [ -0.0000339800000000, -0.0003697800000000, -0.0000741000000000 ] - [ 0.0002725300000000, 0.0002713000000000, 0.0002272700000000 ] - [ -0.0000595700000000, -0.0002795500000000, -0.0003752500000000 ] - [ -0.0000269500000000, 0.0003739700000000, 0.0000720100000000 ] - [ 0.0002656100000000, 0.0015441100000000, 0.0008496300000000 ] - [ 0.0003104700000000, -0.0004005500000000, -0.0001115700000000 ] - [ -0.0004585900000000, 0.0007683700000000, -0.0007045600000000 ] - [ 0.0002789700000000, 0.0077902300000000, 0.0049370800000000 ] - [ -0.0002938800000000, -0.0001660900000000, -0.0002089100000000 ] - [ 0.0003285100000000, -0.0000198900000000, -0.0003238900000000 ] - [ -0.0007642200000000, 0.0003622600000000, 0.0001685900000000 ] - [ 0.0001808400000000, 0.0006065900000000, -0.0001300200000000 ] - [ 0.0002398300000000, 0.0003404200000000, -0.0004304300000000 ] - [ -0.0000167600000000, 0.0004355800000000, 0.0000554500000000 ] - [ -0.0004180700000000, 0.0007654700000000, -0.0002379800000000 ] - [ 0.0002864600000000, -0.0000550500000000, -0.0009918200000000 ] - [ 0.0005017400000000, 0.0000996600000000, 0.0000285800000000 ] - [ 0.0009695300000000, 0.0005726700000000, 0.0002665500000000 ] - [ -0.0003122100000000, 0.0000713500000000, 0.0002111500000000 ] - [ -0.0002360800000000, -0.0003357600000000, 0.0003208900000000 ] - [ 0.0000129800000000, -0.0004846600000000, 0.0001543400000000 ] - [ -0.0003557700000000, 0.0002834300000000, -0.0002436100000000 ] - [ 0.0004447400000000, 0.0004917400000000, -0.0003921700000000 ] - [ 0.0008586800000000, 0.0007376800000000, -0.0008081900000000 ] - [ -0.0004696600000000, 0.0022218300000000, 0.0015204800000000 ] - [ -0.0010695200000000, 0.0014060000000000, -0.0011263300000000 ] - [ -0.0002893200000000, -0.0002503700000000, -0.0000881200000000 ] - [ -0.0010666900000000, 0.0002654000000000, 0.0001674400000000 ] - [ -0.0001598100000000, -0.0001028200000000, 0.0000935600000000 ] - [ -0.0008450900000000, 0.0011092600000000, 0.0003785300000000 ] - [ -0.0003309300000000, 0.0001630600000000, -0.0008748300000000 ] - [ -0.0002415900000000, -0.0004899200000000, 0.0000087300000000 ] - [ -0.0002456200000000, 0.0005229400000000, 0.0003447700000000 ] - [ -0.0022374300000000, 0.0025719200000000, 0.0009543900000000 ] - [ 0.0021002500000000, 0.0032946200000000, 0.0010493100000000 ] - [ -0.0005762300000000, 0.0034889800000000, -0.0018394100000000 ] - [ 0.0000301600000000, 0.0003207600000000, 0.0001391800000000 ] - [ 0.0000072000000000, 0.0005101600000000, -0.0002423000000000 ] - [ -0.0001098000000000, 0.0005937500000000, 0.0001734800000000 ] - [ -0.0002072500000000, 0.0003949100000000, -0.0002846700000000 ] - [ -0.0001362800000000, -0.0004308300000000, 0.0001401300000000 ] - [ -0.0003615800000000, 0.0004989200000000, -0.0000317600000000 ] - [ 0.0022010600000000, 0.0059780000000000, -0.0038065900000000 ] - [ -0.0002966600000000, 0.0002391600000000, -0.0006823800000000 ] - [ 0.0000448700000000, -0.0008351000000000, 0.0000616400000000 ] - [ -0.0002254300000000, 0.0004974500000000, 0.0000443000000000 ] - [ 0.0004063800000000, -0.0003390500000000, -0.0007984700000000 ] - [ 0.0002708000000000, 0.0002358000000000, -0.0002341200000000 ] - [ 0.0000643800000000, -0.0004971500000000, 0.0002420600000000 ] - [ -0.0001655000000000, 0.0000745900000000, 0.0007385000000000 ] - [ -0.0000068000000000, -0.0002500200000000, -0.0001481200000000 ]- atom: 79 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012167700000000, 0.0016893400000000, -0.0025230800000000 ] - [ -0.0013351800000000, -0.0007183600000000, -0.0030554000000000 ] - [ 0.0035772400000000, -0.0031513200000000, 0.0045546100000000 ] - [ -0.0016342300000000, 0.0022457600000000, 0.0032136400000000 ] - [ -0.0000950500000000, 0.0003005600000000, -0.0004365300000000 ] - [ -0.0000068300000000, 0.0006477600000000, 0.0001222700000000 ] - [ 0.0001501300000000, -0.0004101700000000, -0.0000651900000000 ] - [ -0.0004639100000000, -0.0003772600000000, 0.0002517300000000 ] - [ 0.0012971800000000, -0.0001635400000000, -0.0026146400000000 ] - [ -0.0008050700000000, 0.0000058000000000, -0.0009856500000000 ] - [ 0.0022632600000000, 0.0015082900000000, 0.0023506200000000 ] - [ 0.0001309200000000, -0.0000736300000000, 0.0002917700000000 ] - [ -0.0012186200000000, 0.0018961900000000, 0.0027822500000000 ] - [ 0.0001635200000000, 0.0001332500000000, 0.0009274600000000 ] - [ -0.0003713600000000, 0.0000386900000000, -0.0002285800000000 ] - [ -0.0003697300000000, -0.0000768200000000, -0.0010358100000000 ] - [ 0.0000476900000000, -0.0001009600000000, -0.0006627000000000 ] - [ 0.0001210700000000, -0.0001128200000000, 0.0006046800000000 ] - [ 0.0002315000000000, 0.0001383600000000, -0.0006078600000000 ] - [ -0.0002114000000000, -0.0001784800000000, 0.0005926900000000 ] - [ -0.0001122000000000, 0.0001393300000000, 0.0006727300000000 ] - [ 0.0012391500000000, 0.0010599100000000, 0.0008500600000000 ] - [ -0.0010898500000000, 0.0009756200000000, -0.0005140600000000 ] - [ 0.0000512900000000, -0.0000990800000000, -0.0006136600000000 ] - [ -0.0005125500000000, -0.0007125800000000, -0.0005176600000000 ] - [ -0.0001193200000000, 0.0005617000000000, -0.0002433100000000 ] - [ -0.0000606100000000, 0.0003459600000000, -0.0008119900000000 ] - [ -0.0001964700000000, 0.0170409100000000, 0.0006959400000000 ] - [ -0.0005906700000000, -0.0057788800000000, -0.0019771600000000 ] - [ -0.0040307000000000, -0.0194881000000000, 0.0130416500000000 ] - [ -0.0104613000000000, -0.0007119700000000, 0.0021266400000000 ] - [ -0.0003694600000000, -0.0015030300000000, 0.0015359500000000 ] - [ -0.0002320800000000, -0.0017085500000000, -0.0018926000000000 ] - [ -0.0011324400000000, 0.0035617000000000, -0.0026115500000000 ] - [ 0.0003575400000000, -0.0004921500000000, -0.0002626700000000 ] - [ 0.0026069600000000, -0.0211902100000000, 0.0038702900000000 ] - [ -0.0000733600000000, 0.0016143000000000, -0.0008300300000000 ] - [ 0.0011504900000000, -0.0044249400000000, -0.0032482600000000 ] - [ 0.0005693500000000, -0.0011576000000000, -0.0008342700000000 ] - [ 0.0030515100000000, 0.0025386300000000, 0.0009289800000000 ] - [ -0.0041885800000000, 0.0024920500000000, 0.0002673500000000 ] - [ -0.0028061700000000, -0.0065629300000000, -0.0028239800000000 ] - [ 0.0005092000000000, 0.0014197900000000, -0.0012438500000000 ] - [ 0.0098794200000000, -0.0013869700000000, -0.0004100000000000 ] - [ 0.0009511500000000, 0.0192848800000000, 0.0021762100000000 ] - [ -0.0000431700000000, 0.0001840900000000, -0.0034568800000000 ] - [ -0.0003509700000000, -0.0007860600000000, -0.0006572500000000 ] - [ 0.0026838900000000, -0.0089821700000000, -0.0036065800000000 ] - [ 0.0029392400000000, 0.0016869500000000, -0.0004409100000000 ] - [ -0.0009045000000000, 0.0000269000000000, -0.0007811400000000 ] - [ 0.0001643500000000, 0.0007798000000000, -0.0020665000000000 ] - [ 0.0001396400000000, -0.0002811200000000, 0.0000353600000000 ] - [ -0.0002686500000000, -0.0001893600000000, -0.0000223700000000 ] - [ -0.0001695700000000, 0.0004018100000000, 0.0010152800000000 ] - [ -0.0002268200000000, 0.0008631000000000, 0.0006983300000000 ] - [ 0.0002191600000000, 0.0029348000000000, 0.0032136300000000 ] - [ 0.0002612100000000, 0.0001785500000000, -0.0003914300000000 ] - [ -0.0001809000000000, 0.0001734900000000, -0.0003779000000000 ] - [ -0.0027767900000000, 0.0017793900000000, -0.0006295000000000 ] - [ 0.0000532800000000, 0.0001189200000000, 0.0003277200000000 ] - [ 0.0010976900000000, -0.0001895700000000, -0.0009527200000000 ] - [ -0.0004008200000000, 0.0004501200000000, 0.0000661600000000 ] - [ -0.0001498500000000, 0.0008786300000000, -0.0003613500000000 ] - [ 0.0010843700000000, -0.0015863200000000, 0.0000649300000000 ] - [ -0.0016490000000000, -0.0008439100000000, 0.0013232900000000 ] - [ 0.0009356000000000, 0.0004570300000000, -0.0002033000000000 ] - [ 0.0000227400000000, 0.0000707800000000, -0.0000927800000000 ] - [ 0.0002535200000000, 0.0002544400000000, 0.0002897000000000 ] - [ -0.0007995400000000, -0.0004582600000000, 0.0004807400000000 ] - [ -0.0000079000000000, 0.0005026300000000, -0.0005749100000000 ] - [ 0.0002870500000000, 0.0004526000000000, -0.0007876100000000 ] - [ -0.0012420800000000, 0.0004319900000000, -0.0002264600000000 ] - [ -0.0003093700000000, 0.0002637400000000, 0.0003019300000000 ] - [ 0.0003451900000000, 0.0011794000000000, -0.0000569000000000 ] - [ 0.0019118800000000, 0.0086143600000000, 0.0065632200000000 ] - [ 0.0017585600000000, 0.0008587600000000, -0.0002284000000000 ] - [ -0.0006792300000000, -0.0012277800000000, -0.0004849500000000 ] - [ -0.0017474800000000, -0.0188410900000000, 0.0118606900000000 ] - [ 0.0007397900000000, 0.1055719500000000, -0.0633314500000000 ] - [ -0.0006466500000000, 0.0004608100000000, 0.0020434400000000 ] - [ -0.0168233100000000, -0.0000060200000000, 0.0035347300000000 ] - [ -0.0013250800000000, 0.0011936100000000, -0.0005909800000000 ] - [ 0.0007209100000000, -0.0005993100000000, 0.0004291700000000 ] - [ 0.0001240600000000, 0.0008779500000000, -0.0005747100000000 ] - [ 0.0005261900000000, 0.0003017200000000, -0.0002798900000000 ] - [ -0.0004047400000000, 0.0002835500000000, 0.0009090400000000 ] - [ 0.0003605000000000, -0.0004784800000000, 0.0012835300000000 ] - [ -0.0013432600000000, 0.0016815800000000, 0.0014248700000000 ] - [ 0.0003794000000000, 0.0004199300000000, 0.0009488100000000 ] - [ 0.0000962300000000, 0.0005634900000000, 0.0004633200000000 ] - [ 0.0001988200000000, -0.0002637400000000, -0.0012433900000000 ] - [ 0.0004931100000000, 0.0008917600000000, -0.0000302100000000 ] - [ 0.0000905400000000, -0.0002699000000000, 0.0003089800000000 ] - [ -0.0004513800000000, 0.0052362600000000, 0.0029958700000000 ] - [ -0.0050588000000000, 0.0016146000000000, -0.0043517100000000 ] - [ -0.0194572600000000, -0.0001093100000000, 0.0136785700000000 ] - [ 0.0007712800000000, -0.0223181500000000, -0.0011408200000000 ] - [ 0.0016955500000000, -0.0169399800000000, 0.0055485400000000 ] - [ -0.0004533000000000, 0.0010461500000000, 0.0018609700000000 ] - [ -0.0005569900000000, -0.0001263500000000, -0.0008455700000000 ] - [ 0.0003471300000000, 0.0003196900000000, 0.0004127600000000 ] - [ 0.0019598700000000, -0.0016700500000000, -0.0004929900000000 ] - [ -0.0013044900000000, 0.0013681700000000, -0.0005324400000000 ] - [ -0.0008867900000000, 0.0000447900000000, 0.0006535100000000 ] - [ 0.0051560900000000, -0.0012084500000000, -0.0002315500000000 ] - [ 0.0010930100000000, -0.0015254100000000, 0.0003223000000000 ] - [ 0.0064305300000000, 0.0018173900000000, -0.0065185200000000 ] - [ -0.0001158800000000, -0.0002822900000000, 0.0004760300000000 ] - [ -0.0027787800000000, -0.0258309900000000, 0.0019715000000000 ] - [ -0.0000003500000000, 0.0033170100000000, -0.0026119400000000 ] - [ -0.0002029300000000, 0.0000775700000000, -0.0003547100000000 ] - [ 0.0001018900000000, 0.0007125700000000, -0.0002239200000000 ] - [ 0.0004979200000000, 0.0001078800000000, -0.0000175000000000 ] - [ 0.0002918000000000, 0.0012875600000000, 0.0006715700000000 ] - [ -0.0001147700000000, 0.0013447000000000, -0.0016538900000000 ] - [ 0.0149295300000000, 0.0003428900000000, 0.0107391800000000 ] - [ -0.0002084500000000, 0.0006138300000000, 0.0013356800000000 ] - [ 0.0179556800000000, 0.0009761300000000, 0.0046568700000000 ] - [ -0.0001963500000000, 0.0001544300000000, 0.0000922500000000 ] - [ 0.0006892300000000, 0.0002185600000000, -0.0001101600000000 ] - [ -0.0002721800000000, -0.0001871400000000, 0.0003578400000000 ] - [ -0.0042797700000000, -0.0026312500000000, -0.0001140800000000 ] - [ -0.0002444300000000, 0.0007004400000000, 0.0020580000000000 ] - [ 0.0003988900000000, -0.0000097900000000, 0.0003661900000000 ] - [ 0.0007828800000000, 0.0006328700000000, 0.0016303500000000 ] - [ -0.0008859300000000, -0.0016877800000000, 0.0004858000000000 ] - [ 0.0010565400000000, -0.0014415800000000, -0.0006600200000000 ] - [ 0.0000951400000000, 0.0003828000000000, 0.0020373200000000 ] - [ -0.0000712000000000, -0.0001820500000000, 0.0009212000000000 ] - [ -0.0002423300000000, 0.0004609800000000, -0.0000101200000000 ] - [ 0.0003052300000000, -0.0001255300000000, -0.0000683700000000 ] - [ 0.0001604300000000, -0.0012507200000000, -0.0008115300000000 ] - [ -0.0001536400000000, -0.0003880600000000, -0.0007386500000000 ] - [ 0.0000834100000000, -0.0005009600000000, -0.0001800600000000 ] - [ 0.0004266100000000, 0.0001190200000000, -0.0000011000000000 ] - [ 0.0001387000000000, -0.0004982100000000, 0.0001911100000000 ] - [ 0.0000211100000000, 0.0002690800000000, -0.0000752200000000 ] - [ -0.0001641400000000, -0.0007738900000000, -0.0010268100000000 ] - [ -0.0003286000000000, -0.0002473700000000, 0.0001103000000000 ] - [ 0.0004040400000000, 0.0001217200000000, 0.0004420500000000 ] - [ 0.0004607100000000, -0.0073798900000000, -0.0051489500000000 ] - [ -0.0004241900000000, -0.0002258000000000, 0.0004319800000000 ] - [ 0.0003757300000000, -0.0003728000000000, 0.0001003900000000 ] - [ 0.0000259300000000, -0.0003678700000000, -0.0001716500000000 ] - [ 0.0002114800000000, 0.0002733300000000, 0.0004376100000000 ] - [ 0.0001516700000000, 0.0005225300000000, 0.0001197200000000 ] - [ 0.0000683600000000, 0.0004462100000000, 0.0002039300000000 ] - [ -0.0011354000000000, -0.0007666900000000, 0.0002418400000000 ] - [ -0.0003624500000000, -0.0007180200000000, 0.0008032400000000 ] - [ 0.0010301600000000, -0.0000991200000000, -0.0000284800000000 ] - [ -0.0005201200000000, -0.0008852800000000, -0.0002558700000000 ] - [ -0.0001538200000000, -0.0003785200000000, -0.0002218300000000 ] - [ -0.0001606400000000, -0.0005280300000000, -0.0000107500000000 ] - [ 0.0000362800000000, -0.0004016000000000, 0.0001015800000000 ] - [ -0.0001095800000000, 0.0000269600000000, 0.0002527700000000 ] - [ -0.0004989100000000, 0.0003775100000000, 0.0006529900000000 ] - [ -0.0003888900000000, -0.0004276000000000, 0.0008137000000000 ] - [ -0.0002573700000000, -0.0018260300000000, -0.0017418500000000 ] - [ 0.0003080600000000, -0.0013952900000000, 0.0011162400000000 ] - [ 0.0002799000000000, -0.0003950500000000, 0.0000900900000000 ] - [ 0.0010198100000000, 0.0003924300000000, -0.0001553200000000 ] - [ 0.0001024400000000, -0.0007504100000000, -0.0003431200000000 ] - [ 0.0009166700000000, -0.0003263900000000, -0.0001967400000000 ] - [ 0.0004250400000000, -0.0009372100000000, 0.0010588300000000 ] - [ -0.0001543400000000, -0.0003879200000000, -0.0003160900000000 ] - [ -0.0004439800000000, -0.0001289600000000, -0.0001212500000000 ] - [ 0.0018034500000000, -0.0028833300000000, -0.0009393000000000 ] - [ -0.0021525800000000, -0.0025043600000000, -0.0008687000000000 ] - [ 0.0021346600000000, -0.0035023600000000, 0.0018554000000000 ] - [ -0.0015540400000000, -0.0003149900000000, -0.0001363100000000 ] - [ 0.0000426100000000, 0.0003785300000000, -0.0000192400000000 ] - [ 0.0000159400000000, 0.0001813800000000, -0.0003554400000000 ] - [ -0.0001871900000000, 0.0004778400000000, -0.0000260800000000 ] - [ 0.0001241700000000, -0.0006916500000000, 0.0000047600000000 ] - [ 0.0003535500000000, 0.0006286800000000, 0.0001737800000000 ] - [ -0.0014244500000000, -0.0059161700000000, 0.0037606500000000 ] - [ -0.0004048400000000, -0.0006287500000000, 0.0004548800000000 ] - [ -0.0001047700000000, -0.0002966300000000, -0.0002217300000000 ] - [ -0.0001682100000000, 0.0003816200000000, 0.0002636500000000 ] - [ 0.0003120300000000, -0.0000525800000000, 0.0010192700000000 ] - [ 0.0001830700000000, 0.0000752200000000, 0.0002249600000000 ] - [ -0.0001237700000000, -0.0004211200000000, 0.0000025700000000 ] - [ 0.0005522900000000, -0.0009210300000000, -0.0004256300000000 ] - [ -0.0000836400000000, -0.0005265200000000, 0.0003319500000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0014059500000000, 0.0016708900000000, -0.0027128800000000 ] - [ -0.0014651900000000, 0.0003213800000000, -0.0033285100000000 ] - [ -0.0022391500000000, -0.0047438800000000, 0.0024405100000000 ] - [ -0.0003853800000000, 0.0004229800000000, 0.0025269500000000 ] - [ -0.0002615300000000, 0.0002224700000000, -0.0007558100000000 ] - [ 0.0000486100000000, 0.0005382500000000, -0.0001255600000000 ] - [ 0.0001259100000000, -0.0004665300000000, 0.0001204600000000 ] - [ -0.0004630600000000, -0.0002286900000000, 0.0007383900000000 ] - [ 0.0008622900000000, 0.0002483800000000, -0.0024198000000000 ] - [ -0.0008546000000000, 0.0001589600000000, -0.0013311100000000 ] - [ 0.0005071100000000, -0.0016743000000000, 0.0008971800000000 ] - [ 0.0001030100000000, -0.0000599600000000, 0.0002258800000000 ] - [ -0.0002125600000000, -0.0011743000000000, 0.0016557300000000 ] - [ -0.0000691800000000, 0.0000441900000000, 0.0009800300000000 ] - [ -0.0002529900000000, 0.0000224500000000, -0.0002152900000000 ] - [ -0.0002933900000000, -0.0000563600000000, -0.0010440200000000 ] - [ 0.0000332200000000, -0.0001184200000000, -0.0007221700000000 ] - [ 0.0001447200000000, -0.0001203700000000, 0.0005699300000000 ] - [ 0.0002455300000000, 0.0001565900000000, -0.0005574200000000 ] - [ -0.0003414700000000, -0.0003071500000000, 0.0003759600000000 ] - [ -0.0000915200000000, 0.0001612700000000, 0.0007174600000000 ] - [ 0.0011774100000000, 0.0013144300000000, 0.0010690000000000 ] - [ -0.0011346800000000, 0.0011851900000000, -0.0001604100000000 ] - [ 0.0001564400000000, -0.0003406000000000, -0.0009419900000000 ] - [ -0.0006806100000000, -0.0004736200000000, -0.0004710100000000 ] - [ 0.0004003000000000, 0.0000422300000000, -0.0005006700000000 ] - [ -0.0000274200000000, 0.0004797500000000, -0.0012102300000000 ] - [ -0.0001027700000000, 0.0116278500000000, 0.0066541700000000 ] - [ -0.0018154800000000, 0.0068881700000000, 0.0127214100000000 ] - [ -0.0015685100000000, -0.0095579000000000, 0.0247691900000000 ] - [ -0.0098300700000000, 0.0000318600000000, 0.0025266800000000 ] - [ -0.0002368800000000, -0.0013054200000000, 0.0018689300000000 ] - [ -0.0006358600000000, -0.0030672900000000, -0.0059522000000000 ] - [ -0.0006127100000000, 0.0008210500000000, -0.0027457500000000 ] - [ 0.0005308100000000, -0.0004120700000000, -0.0002700500000000 ] - [ 0.0036501000000000, -0.0059310400000000, 0.0179543300000000 ] - [ -0.0001747300000000, 0.0002963000000000, -0.0012908300000000 ] - [ 0.0024742200000000, -0.0073302500000000, -0.0087802400000000 ] - [ 0.0019937200000000, -0.0009479900000000, -0.0010871100000000 ] - [ 0.0022513900000000, 0.0021155200000000, 0.0013897800000000 ] - [ -0.0026943900000000, 0.0021202200000000, 0.0006837300000000 ] - [ -0.0071100300000000, -0.0032987500000000, -0.0061214700000000 ] - [ 0.0002612700000000, -0.0007541200000000, -0.0018576600000000 ] - [ 0.0110428800000000, -0.0003059000000000, 0.0001847400000000 ] - [ 0.0001768300000000, 0.0118430200000000, 0.0038662000000000 ] - [ -0.0002062400000000, 0.0000888900000000, -0.0067788400000000 ] - [ -0.0011813300000000, -0.0002022600000000, -0.0015596700000000 ] - [ 0.0076272900000000, -0.0043389300000000, -0.0068117900000000 ] - [ 0.0020872600000000, 0.0009676800000000, -0.0004762000000000 ] - [ -0.0013642600000000, 0.0004345900000000, -0.0015523000000000 ] - [ -0.0000577900000000, 0.0006295300000000, -0.0023411800000000 ] - [ -0.0003796200000000, -0.0002581700000000, 0.0002806100000000 ] - [ -0.0004571100000000, -0.0003679500000000, 0.0000018000000000 ] - [ -0.0000701400000000, 0.0001647700000000, 0.0010466200000000 ] - [ -0.0000751500000000, -0.0004379400000000, 0.0009484700000000 ] - [ 0.0000453900000000, 0.0015397200000000, 0.0032622700000000 ] - [ 0.0003264900000000, 0.0002377300000000, -0.0004667300000000 ] - [ 0.0001179000000000, 0.0003711100000000, -0.0005487300000000 ] - [ -0.0023329300000000, 0.0012572700000000, -0.0004320400000000 ] - [ 0.0003026100000000, -0.0001719900000000, 0.0004493400000000 ] - [ 0.0018821200000000, 0.0007110700000000, -0.0020451100000000 ] - [ -0.0004753400000000, 0.0004423800000000, 0.0000114800000000 ] - [ -0.0002905100000000, 0.0009972100000000, -0.0005084700000000 ] - [ -0.0024672900000000, -0.0010933500000000, 0.0016916100000000 ] - [ 0.0030064700000000, -0.0011062600000000, 0.0022235900000000 ] - [ 0.0009703700000000, 0.0003123300000000, -0.0001243100000000 ] - [ -0.0001661600000000, 0.0001255500000000, -0.0002425700000000 ] - [ -0.0000223600000000, -0.0005992900000000, 0.0005105900000000 ] - [ 0.0001944300000000, -0.0004674600000000, 0.0005399000000000 ] - [ 0.0000334800000000, 0.0003859400000000, -0.0007664200000000 ] - [ 0.0001366800000000, 0.0007983200000000, -0.0009631800000000 ] - [ -0.0011142600000000, 0.0002389200000000, -0.0001572500000000 ] - [ -0.0002931900000000, 0.0002471000000000, 0.0004171900000000 ] - [ 0.0010383700000000, 0.0010804100000000, 0.0007347900000000 ] - [ 0.0031660000000000, 0.0070269400000000, 0.0202180000000000 ] - [ 0.0016708700000000, 0.0007009800000000, -0.0003523500000000 ] - [ -0.0001067400000000, -0.0010157200000000, -0.0016252500000000 ] - [ -0.0017127300000000, -0.0140752400000000, 0.0094807000000000 ] - [ 0.0046454100000000, 0.0639493500000000, -0.1110750000000000 ] - [ -0.0011072500000000, -0.0004122700000000, 0.0040444900000000 ] - [ -0.0193064500000000, -0.0034528200000000, 0.0013531400000000 ] - [ -0.0014750400000000, 0.0011192500000000, -0.0007489000000000 ] - [ 0.0005651900000000, -0.0003568500000000, 0.0005216500000000 ] - [ -0.0001226200000000, 0.0010203700000000, -0.0003574900000000 ] - [ 0.0004456200000000, 0.0000288000000000, -0.0005390200000000 ] - [ -0.0004245200000000, 0.0006010500000000, 0.0016035000000000 ] - [ 0.0004806800000000, -0.0015967300000000, 0.0040908200000000 ] - [ -0.0015934400000000, 0.0013584300000000, 0.0012399900000000 ] - [ 0.0002789800000000, 0.0005332700000000, 0.0011041500000000 ] - [ 0.0001029000000000, 0.0007913200000000, 0.0007875300000000 ] - [ 0.0001597100000000, 0.0014477500000000, 0.0007930000000000 ] - [ 0.0023415300000000, 0.0002227300000000, 0.0005841000000000 ] - [ 0.0000367300000000, -0.0003365600000000, 0.0004462500000000 ] - [ -0.0037683100000000, 0.0023703400000000, 0.0151782300000000 ] - [ 0.0054912400000000, 0.0021103800000000, 0.0000064100000000 ] - [ -0.0194209500000000, -0.0071360700000000, 0.0078445100000000 ] - [ -0.0004600800000000, -0.0087593700000000, -0.0073952200000000 ] - [ 0.0025539400000000, -0.0212167300000000, 0.0080172700000000 ] - [ -0.0007115400000000, 0.0011760000000000, 0.0034795900000000 ] - [ 0.0004535600000000, 0.0008049700000000, 0.0007667300000000 ] - [ 0.0005251100000000, 0.0001545100000000, 0.0005446200000000 ] - [ 0.0000628700000000, -0.0002016800000000, 0.0000656800000000 ] - [ -0.0027774100000000, 0.0003052100000000, 0.0005329000000000 ] - [ -0.0025650100000000, 0.0000940600000000, 0.0010997900000000 ] - [ 0.0032011500000000, -0.0007284500000000, -0.0004194700000000 ] - [ 0.0009764400000000, -0.0017396200000000, 0.0002359100000000 ] - [ -0.0061245300000000, 0.0027216600000000, -0.0005878400000000 ] - [ -0.0003184000000000, -0.0004095700000000, 0.0006222000000000 ] - [ -0.0006613500000000, -0.0054678300000000, -0.0061881100000000 ] - [ -0.0000923400000000, 0.0029271500000000, -0.0029325900000000 ] - [ -0.0001692800000000, -0.0000206600000000, -0.0004596600000000 ] - [ -0.0000374800000000, 0.0005631900000000, -0.0003880700000000 ] - [ 0.0005283800000000, 0.0000447600000000, 0.0000266800000000 ] - [ 0.0005850300000000, 0.0007398300000000, 0.0006974800000000 ] - [ -0.0002331700000000, 0.0029608100000000, -0.0002768500000000 ] - [ 0.0170604900000000, -0.0052469000000000, 0.0062341800000000 ] - [ -0.0002907000000000, 0.0014890400000000, 0.0022385100000000 ] - [ 0.0176375300000000, -0.0029357800000000, 0.0030687500000000 ] - [ -0.0006420500000000, 0.0004073600000000, 0.0002128900000000 ] - [ 0.0005883200000000, 0.0000487000000000, 0.0000372600000000 ] - [ -0.0003077500000000, -0.0006681000000000, 0.0008318400000000 ] - [ -0.0027821300000000, -0.0020639900000000, -0.0005412100000000 ] - [ -0.0001791800000000, 0.0013008600000000, 0.0026445300000000 ] - [ 0.0003898300000000, 0.0000604100000000, 0.0005202500000000 ] - [ 0.0014107500000000, 0.0002687400000000, 0.0031882900000000 ] - [ -0.0009839100000000, -0.0021250200000000, 0.0004268800000000 ] - [ 0.0007595600000000, -0.0016304400000000, -0.0009765100000000 ] - [ 0.0007121500000000, 0.0001851100000000, 0.0033863700000000 ] - [ 0.0000737000000000, 0.0002524400000000, 0.0008634100000000 ] - [ -0.0002703200000000, 0.0004530400000000, 0.0000089600000000 ] - [ 0.0003296700000000, -0.0000571600000000, -0.0000286600000000 ] - [ 0.0001409200000000, -0.0003520300000000, -0.0007683100000000 ] - [ 0.0000274000000000, 0.0000560700000000, -0.0011546300000000 ] - [ 0.0000235600000000, -0.0002987900000000, -0.0001220500000000 ] - [ 0.0003769100000000, 0.0003102600000000, -0.0001430900000000 ] - [ 0.0002510700000000, -0.0003194100000000, 0.0002458200000000 ] - [ 0.0003008200000000, 0.0003586200000000, -0.0001210800000000 ] - [ 0.0000563600000000, 0.0000303600000000, -0.0010535200000000 ] - [ -0.0008169600000000, -0.0003001400000000, 0.0002933000000000 ] - [ 0.0005230600000000, -0.0000824300000000, 0.0004662300000000 ] - [ 0.0005264500000000, -0.0048548100000000, -0.0039790600000000 ] - [ -0.0004762900000000, 0.0001247500000000, 0.0007562700000000 ] - [ 0.0003513700000000, -0.0004071600000000, 0.0001701500000000 ] - [ -0.0000181100000000, -0.0001879100000000, -0.0000919100000000 ] - [ 0.0002263800000000, 0.0000625300000000, 0.0007366200000000 ] - [ 0.0001288500000000, 0.0002591200000000, 0.0004037100000000 ] - [ 0.0000455800000000, 0.0003324800000000, 0.0001710000000000 ] - [ -0.0011974200000000, -0.0005035600000000, 0.0001165200000000 ] - [ -0.0003418600000000, -0.0002934600000000, 0.0008188000000000 ] - [ 0.0009529100000000, -0.0000306800000000, -0.0000027700000000 ] - [ -0.0003732200000000, -0.0007588100000000, -0.0003173700000000 ] - [ -0.0002117200000000, -0.0002382600000000, -0.0002597000000000 ] - [ -0.0002172600000000, -0.0004119800000000, -0.0001275600000000 ] - [ 0.0000657700000000, -0.0003556400000000, 0.0000961100000000 ] - [ -0.0001610000000000, 0.0000571400000000, 0.0002845300000000 ] - [ -0.0005563000000000, -0.0000174200000000, 0.0006459300000000 ] - [ -0.0001491900000000, -0.0003882200000000, 0.0008433100000000 ] - [ -0.0003668000000000, -0.0014375300000000, -0.0015488900000000 ] - [ 0.0001892700000000, -0.0008196300000000, 0.0006745800000000 ] - [ 0.0004225600000000, -0.0004078400000000, 0.0001333200000000 ] - [ -0.0011596500000000, 0.0003245200000000, -0.0003505400000000 ] - [ -0.0003827100000000, 0.0001656300000000, -0.0002161200000000 ] - [ 0.0007174300000000, -0.0001826600000000, -0.0002356200000000 ] - [ 0.0004963300000000, -0.0010021400000000, 0.0011077300000000 ] - [ -0.0001237800000000, -0.0002851300000000, -0.0004139600000000 ] - [ -0.0003333400000000, 0.0004275800000000, -0.0004792900000000 ] - [ 0.0011360300000000, -0.0023681200000000, -0.0012207600000000 ] - [ -0.0013640600000000, -0.0018037100000000, -0.0009388900000000 ] - [ 0.0017459600000000, -0.0022107400000000, 0.0005920700000000 ] - [ -0.0012825800000000, -0.0001127400000000, -0.0000305000000000 ] - [ 0.0000402500000000, 0.0003697700000000, -0.0000510400000000 ] - [ 0.0000197000000000, 0.0002803400000000, -0.0003986700000000 ] - [ -0.0001954500000000, 0.0004241200000000, 0.0000821300000000 ] - [ -0.0001633700000000, -0.0005156700000000, -0.0000106400000000 ] - [ 0.0006910700000000, 0.0005926900000000, 0.0002760600000000 ] - [ -0.0006652800000000, -0.0031784200000000, 0.0020817400000000 ] - [ -0.0002850600000000, -0.0007651400000000, 0.0006011400000000 ] - [ 0.0010821500000000, -0.0005641400000000, -0.0001523700000000 ] - [ -0.0001597400000000, 0.0003336200000000, 0.0003652000000000 ] - [ 0.0004368800000000, 0.0007159800000000, 0.0015264200000000 ] - [ 0.0000660400000000, 0.0002196900000000, 0.0002645800000000 ] - [ 0.0003143700000000, 0.0001514800000000, -0.0000083500000000 ] - [ 0.0002779900000000, -0.0002639600000000, -0.0007724300000000 ] - [ -0.0000737000000000, -0.0005091800000000, 0.0003827200000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0013917300000000, -0.0006915000000000, 0.0022425200000000 ] - [ 0.0014701700000000, 0.0006476700000000, 0.0037813000000000 ] - [ 0.0021702600000000, 0.0037345600000000, -0.0029310600000000 ] - [ 0.0003863600000000, -0.0013881100000000, -0.0020675100000000 ] - [ 0.0002657300000000, 0.0007430200000000, 0.0003081400000000 ] - [ -0.0000465200000000, 0.0004259300000000, 0.0005741300000000 ] - [ -0.0001194300000000, -0.0004967100000000, -0.0005794800000000 ] - [ 0.0004804200000000, -0.0007516800000000, -0.0002679700000000 ] - [ -0.0006725200000000, -0.0004340200000000, 0.0011409700000000 ] - [ 0.0010364700000000, -0.0003460900000000, 0.0026002400000000 ] - [ -0.0003195800000000, 0.0018868800000000, -0.0021624400000000 ] - [ -0.0002980100000000, -0.0001262700000000, 0.0010494100000000 ] - [ 0.0004003300000000, 0.0013367300000000, -0.0003794700000000 ] - [ -0.0001240500000000, 0.0001419700000000, 0.0002989200000000 ] - [ 0.0000590900000000, 0.0001638700000000, -0.0010644700000000 ] - [ 0.0000974300000000, -0.0001298900000000, -0.0002359100000000 ] - [ 0.0001678100000000, -0.0000676200000000, -0.0005563000000000 ] - [ 0.0000558600000000, -0.0000657400000000, 0.0007107100000000 ] - [ -0.0000447200000000, 0.0000293700000000, -0.0007192000000000 ] - [ 0.0001386800000000, 0.0001220700000000, 0.0009060900000000 ] - [ 0.0002925200000000, 0.0000251900000000, 0.0005617500000000 ] - [ -0.0013768600000000, -0.0011176400000000, 0.0002028100000000 ] - [ 0.0009363700000000, -0.0010078100000000, -0.0011142200000000 ] - [ -0.0003574000000000, 0.0001516400000000, -0.0003438300000000 ] - [ 0.0017142200000000, 0.0004772900000000, 0.0004713200000000 ] - [ -0.0007858900000000, 0.0001725100000000, 0.0008437600000000 ] - [ 0.0000409000000000, 0.0003369900000000, 0.0012063000000000 ] - [ 0.0004844400000000, -0.0117968800000000, -0.0069155900000000 ] - [ 0.0008900700000000, -0.0086056700000000, -0.0120366400000000 ] - [ 0.0017547100000000, 0.0087099600000000, -0.0247227800000000 ] - [ 0.0094467000000000, -0.0002552500000000, -0.0021782200000000 ] - [ 0.0002610000000000, 0.0004883400000000, -0.0018637700000000 ] - [ 0.0010205000000000, 0.0033069100000000, 0.0056007300000000 ] - [ 0.0001291100000000, -0.0002550200000000, 0.0023123100000000 ] - [ -0.0015281700000000, 0.0004083100000000, 0.0002698700000000 ] - [ -0.0037359500000000, 0.0072657700000000, -0.0186424200000000 ] - [ 0.0006551500000000, 0.0002660800000000, 0.0008643000000000 ] - [ -0.0029353500000000, 0.0078026100000000, 0.0091264500000000 ] - [ -0.0014945700000000, 0.0015065400000000, 0.0015049700000000 ] - [ -0.0026276500000000, -0.0023222800000000, -0.0017280000000000 ] - [ 0.0031768000000000, -0.0026891400000000, -0.0002583300000000 ] - [ 0.0080427000000000, 0.0032597900000000, 0.0062298000000000 ] - [ 0.0001246900000000, 0.0009575500000000, 0.0021972100000000 ] - [ -0.0104913200000000, -0.0002545900000000, -0.0006122800000000 ] - [ -0.0006552300000000, -0.0123979300000000, -0.0034495000000000 ] - [ 0.0001711100000000, 0.0007271300000000, 0.0067629600000000 ] - [ 0.0007924600000000, 0.0004241600000000, 0.0012086800000000 ] - [ -0.0086938100000000, 0.0043730800000000, 0.0066866300000000 ] - [ -0.0010823800000000, -0.0009730800000000, 0.0004714000000000 ] - [ 0.0009677100000000, -0.0002201800000000, 0.0019037300000000 ] - [ 0.0000403900000000, 0.0001859600000000, 0.0023333100000000 ] - [ 0.0008143100000000, 0.0000416700000000, -0.0006262000000000 ] - [ -0.0000037500000000, -0.0001872100000000, -0.0004219500000000 ] - [ 0.0000876800000000, -0.0009789500000000, -0.0010432500000000 ] - [ -0.0003215500000000, 0.0001874100000000, -0.0006036300000000 ] - [ -0.0000725400000000, -0.0023527500000000, -0.0032557200000000 ] - [ 0.0000769100000000, -0.0000127600000000, 0.0001197600000000 ] - [ -0.0005817500000000, 0.0001943900000000, 0.0001213200000000 ] - [ 0.0012859300000000, -0.0012479900000000, 0.0004359400000000 ] - [ 0.0001067800000000, -0.0000581100000000, -0.0001036200000000 ] - [ -0.0013994900000000, -0.0001332000000000, 0.0016038300000000 ] - [ 0.0000055400000000, 0.0001206100000000, 0.0004123400000000 ] - [ 0.0007635300000000, -0.0004364600000000, 0.0009368600000000 ] - [ 0.0021271800000000, 0.0009641400000000, -0.0019606600000000 ] - [ -0.0024823100000000, 0.0004785600000000, -0.0018690900000000 ] - [ 0.0000650000000000, -0.0003099900000000, 0.0001240500000000 ] - [ 0.0005707800000000, 0.0000952800000000, 0.0005906800000000 ] - [ 0.0004951300000000, 0.0000689700000000, -0.0009291400000000 ] - [ -0.0006323800000000, -0.0000973000000000, -0.0001241300000000 ] - [ -0.0000213100000000, 0.0004288700000000, 0.0007640200000000 ] - [ -0.0005360700000000, -0.0005685100000000, 0.0006135100000000 ] - [ 0.0001056000000000, -0.0002408700000000, 0.0001553900000000 ] - [ -0.0001728700000000, 0.0000637800000000, -0.0004263700000000 ] - [ -0.0010435700000000, 0.0000431400000000, -0.0008775000000000 ] - [ -0.0023390300000000, -0.0069118000000000, -0.0198268700000000 ] - [ -0.0012220200000000, -0.0010138900000000, 0.0003400400000000 ] - [ 0.0004939500000000, 0.0001378800000000, 0.0013076300000000 ] - [ 0.0017941000000000, 0.0132145000000000, -0.0098029700000000 ] - [ -0.0031722800000000, -0.0637862600000000, 0.1109670300000000 ] - [ 0.0011986000000000, -0.0003707800000000, -0.0042079200000000 ] - [ 0.0191140800000000, 0.0040770000000000, -0.0013939500000000 ] - [ 0.0015424700000000, -0.0003364200000000, 0.0005636200000000 ] - [ -0.0005607000000000, -0.0002894200000000, -0.0005209200000000 ] - [ 0.0000645600000000, -0.0001314300000000, 0.0000987800000000 ] - [ 0.0002486100000000, 0.0003618200000000, 0.0003120300000000 ] - [ -0.0002789600000000, -0.0009886900000000, -0.0013738200000000 ] - [ 0.0002521900000000, 0.0011976100000000, -0.0042962300000000 ] - [ 0.0008296000000000, -0.0013509100000000, -0.0012338600000000 ] - [ 0.0001084700000000, 0.0003471400000000, -0.0007935800000000 ] - [ 0.0002850400000000, 0.0000864000000000, -0.0010913600000000 ] - [ -0.0000999300000000, -0.0005675900000000, -0.0005263300000000 ] - [ -0.0038674900000000, -0.0002079800000000, -0.0006090100000000 ] - [ -0.0001263300000000, -0.0004398400000000, -0.0006278200000000 ] - [ 0.0053639000000000, -0.0023763000000000, -0.0153894400000000 ] - [ -0.0050503200000000, -0.0024374900000000, -0.0001012700000000 ] - [ 0.0191378400000000, 0.0069167300000000, -0.0077953700000000 ] - [ 0.0000973900000000, 0.0078487700000000, 0.0078066500000000 ] - [ -0.0024509600000000, 0.0200958500000000, -0.0075981100000000 ] - [ 0.0002698700000000, -0.0008622300000000, -0.0034470500000000 ] - [ -0.0005076500000000, 0.0000815100000000, -0.0005053900000000 ] - [ -0.0000705700000000, 0.0001564300000000, -0.0005336700000000 ] - [ -0.0010587500000000, 0.0005665200000000, -0.0002972200000000 ] - [ 0.0020241900000000, -0.0003231100000000, -0.0005059000000000 ] - [ 0.0025405800000000, -0.0007371100000000, -0.0010938800000000 ] - [ -0.0032056800000000, 0.0013748500000000, 0.0004210700000000 ] - [ -0.0010344700000000, 0.0008613500000000, -0.0004945500000000 ] - [ 0.0062205900000000, -0.0019367400000000, 0.0008762200000000 ] - [ 0.0003947200000000, -0.0003692000000000, -0.0004384500000000 ] - [ 0.0002876800000000, 0.0046607100000000, 0.0058095600000000 ] - [ -0.0006317800000000, -0.0025310300000000, 0.0031500400000000 ] - [ -0.0002998100000000, -0.0002872700000000, 0.0004677000000000 ] - [ -0.0000581400000000, 0.0002111800000000, 0.0005702800000000 ] - [ 0.0009986700000000, -0.0000427600000000, -0.0000288400000000 ] - [ -0.0021331500000000, -0.0007419300000000, -0.0006990300000000 ] - [ 0.0002928200000000, -0.0020526500000000, 0.0000057100000000 ] - [ -0.0169588600000000, 0.0059602100000000, -0.0064793600000000 ] - [ -0.0000975200000000, -0.0006207300000000, -0.0025401300000000 ] - [ -0.0177266600000000, 0.0018100500000000, -0.0029067100000000 ] - [ 0.0006340400000000, 0.0007171400000000, -0.0000673300000000 ] - [ 0.0001527800000000, -0.0000553600000000, -0.0000301000000000 ] - [ -0.0004111900000000, 0.0002737600000000, -0.0010521700000000 ] - [ 0.0027700900000000, 0.0009302000000000, 0.0003910900000000 ] - [ -0.0002071300000000, -0.0004152100000000, -0.0023234300000000 ] - [ 0.0003137800000000, -0.0004516200000000, -0.0002958200000000 ] - [ -0.0009382600000000, 0.0000487300000000, -0.0032057400000000 ] - [ 0.0009215700000000, 0.0012314100000000, -0.0001664800000000 ] - [ -0.0003702900000000, 0.0007597600000000, 0.0012874100000000 ] - [ -0.0007699000000000, -0.0009656500000000, -0.0032120800000000 ] - [ -0.0005221200000000, 0.0000603800000000, -0.0008723400000000 ] - [ 0.0002688700000000, 0.0006728700000000, -0.0001525800000000 ] - [ 0.0004134600000000, 0.0000514500000000, 0.0000232900000000 ] - [ 0.0003258600000000, 0.0000506100000000, 0.0007573600000000 ] - [ 0.0003612400000000, -0.0009635300000000, 0.0008493500000000 ] - [ 0.0000263400000000, -0.0005748200000000, -0.0001319500000000 ] - [ 0.0003247300000000, 0.0000801800000000, 0.0003678600000000 ] - [ -0.0001706900000000, -0.0004585500000000, -0.0004275300000000 ] - [ -0.0003086400000000, 0.0002847600000000, 0.0001175200000000 ] - [ 0.0000376800000000, 0.0007375100000000, 0.0008657200000000 ] - [ 0.0008041700000000, -0.0003472000000000, -0.0002939900000000 ] - [ -0.0005754800000000, 0.0009672000000000, -0.0007275400000000 ] - [ 0.0001996400000000, 0.0052318200000000, 0.0037434500000000 ] - [ -0.0002426700000000, -0.0005159700000000, -0.0005304900000000 ] - [ 0.0003537800000000, 0.0000139200000000, -0.0003925600000000 ] - [ -0.0007232700000000, 0.0001794100000000, 0.0000849400000000 ] - [ 0.0001666600000000, 0.0008120000000000, -0.0004263900000000 ] - [ 0.0002630900000000, 0.0006082300000000, -0.0007122300000000 ] - [ 0.0000065700000000, 0.0005501600000000, 0.0000886800000000 ] - [ -0.0003539300000000, 0.0005001800000000, -0.0001153100000000 ] - [ 0.0002622900000000, -0.0004835400000000, -0.0009967900000000 ] - [ 0.0005807200000000, 0.0000310700000000, 0.0000034100000000 ] - [ 0.0008228000000000, 0.0004433800000000, 0.0003251400000000 ] - [ -0.0002529800000000, -0.0000702500000000, 0.0002489200000000 ] - [ -0.0001790900000000, -0.0004548900000000, 0.0004359900000000 ] - [ -0.0000160300000000, -0.0005288100000000, 0.0001590700000000 ] - [ -0.0003029000000000, 0.0002531000000000, -0.0002734300000000 ] - [ 0.0005017400000000, 0.0008918100000000, -0.0003845000000000 ] - [ 0.0006132300000000, 0.0006981300000000, -0.0008300000000000 ] - [ -0.0003547600000000, 0.0018228700000000, 0.0013188800000000 ] - [ -0.0009444600000000, 0.0008188600000000, -0.0006735600000000 ] - [ -0.0004283700000000, -0.0002385500000000, -0.0001311600000000 ] - [ 0.0011139300000000, 0.0003307300000000, 0.0003617600000000 ] - [ 0.0003249400000000, -0.0010243800000000, -0.0000333000000000 ] - [ -0.0006381100000000, 0.0009614600000000, 0.0004171800000000 ] - [ -0.0004009600000000, 0.0002216300000000, -0.0009220800000000 ] - [ -0.0002716900000000, -0.0005905300000000, 0.0001051000000000 ] - [ -0.0003662900000000, -0.0000346100000000, 0.0007009000000000 ] - [ -0.0015777200000000, 0.0020489800000000, 0.0012222400000000 ] - [ 0.0012887600000000, 0.0025811900000000, 0.0011212600000000 ] - [ -0.0001905900000000, 0.0022037300000000, -0.0005956100000000 ] - [ -0.0002505700000000, 0.0001180800000000, 0.0000349900000000 ] - [ 0.0000099300000000, 0.0005165300000000, -0.0002104600000000 ] - [ -0.0001124300000000, 0.0004946000000000, 0.0002141800000000 ] - [ -0.0001984400000000, 0.0004498300000000, -0.0003917800000000 ] - [ 0.0001502700000000, -0.0006077600000000, 0.0001556700000000 ] - [ -0.0006937600000000, 0.0005351400000000, -0.0001338300000000 ] - [ 0.0014210100000000, 0.0031760700000000, -0.0020831800000000 ] - [ -0.0004185900000000, 0.0003732100000000, -0.0008250900000000 ] - [ -0.0011357400000000, -0.0005664800000000, -0.0000071600000000 ] - [ -0.0002334300000000, 0.0005426100000000, -0.0000554500000000 ] - [ 0.0002840700000000, -0.0011006900000000, -0.0012949200000000 ] - [ 0.0003872500000000, 0.0000924000000000, -0.0002734500000000 ] - [ -0.0003730000000000, -0.0010633900000000, 0.0002516000000000 ] - [ 0.0001098500000000, -0.0005874400000000, 0.0010821900000000 ] - [ -0.0000163200000000, -0.0002683300000000, -0.0001983900000000 ]- atom: 80 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006421700000000, 0.0001788400000000, -0.0005110600000000 ] - [ -0.0031465400000000, 0.0008363200000000, 0.0001950800000000 ] - [ -0.0012898200000000, -0.0008975000000000, 0.0003324100000000 ] - [ -0.0005998900000000, -0.0001207600000000, 0.0002545700000000 ] - [ -0.0006046600000000, 0.0006919800000000, 0.0024765500000000 ] - [ -0.0000408700000000, 0.0003580100000000, 0.0002083700000000 ] - [ -0.0005052200000000, -0.0015549900000000, -0.0020816600000000 ] - [ 0.0002452500000000, -0.0007417300000000, 0.0002029000000000 ] - [ 0.0076884600000000, -0.0042069900000000, -0.0008400200000000 ] - [ 0.0003220500000000, -0.0006444100000000, 0.0003480900000000 ] - [ 0.0004504700000000, 0.0003324900000000, -0.0005969300000000 ] - [ -0.0004424900000000, -0.0000546100000000, 0.0006250600000000 ] - [ 0.0001496800000000, -0.0005906100000000, 0.0008384700000000 ] - [ -0.0004456800000000, 0.0001033400000000, 0.0006550900000000 ] - [ -0.0004075500000000, 0.0000755200000000, -0.0006394200000000 ] - [ -0.0006607400000000, -0.0001504900000000, -0.0006411700000000 ] - [ -0.0002186700000000, -0.0000218900000000, -0.0006311100000000 ] - [ -0.0003360500000000, -0.0001529300000000, 0.0009453700000000 ] - [ -0.0001538900000000, 0.0001141300000000, -0.0006355000000000 ] - [ 0.0013662000000000, 0.0000992900000000, 0.0014304700000000 ] - [ -0.0003911500000000, 0.0000715800000000, 0.0002482100000000 ] - [ 0.0017342000000000, 0.0003849700000000, -0.0003755300000000 ] - [ 0.0005898400000000, -0.0001958700000000, -0.0006137500000000 ] - [ 0.0013718300000000, -0.0004362700000000, -0.0005816000000000 ] - [ -0.0022339600000000, 0.0004934000000000, -0.0007044100000000 ] - [ -0.0019143400000000, 0.0006311400000000, 0.0002818000000000 ] - [ -0.0029576700000000, 0.0009572300000000, 0.0007303300000000 ] - [ 0.0002066300000000, -0.0009104200000000, -0.0000759400000000 ] - [ -0.0014334800000000, -0.0014828100000000, -0.0003136900000000 ] - [ 0.0027138600000000, 0.0005149500000000, 0.0037545200000000 ] - [ -0.0026569100000000, -0.0003488400000000, 0.0003691000000000 ] - [ -0.0015181000000000, -0.0005116600000000, -0.0002703500000000 ] - [ -0.0034292700000000, -0.0068876100000000, 0.0001083800000000 ] - [ -0.0001954600000000, -0.0020091000000000, -0.0003513600000000 ] - [ -0.0018959000000000, -0.0001035000000000, 0.0004020500000000 ] - [ -0.0024815500000000, 0.0007471500000000, 0.0041857100000000 ] - [ -0.0015127700000000, -0.0001446300000000, -0.0001240600000000 ] - [ -0.0022313100000000, 0.0015151300000000, -0.0044327700000000 ] - [ -0.0023626200000000, 0.0000560900000000, -0.0000311800000000 ] - [ -0.0012834000000000, -0.0004278800000000, -0.0001988800000000 ] - [ -0.0016201900000000, 0.0001649500000000, 0.0001060600000000 ] - [ 0.0033602300000000, 0.0005438300000000, -0.0015498600000000 ] - [ 0.0002256600000000, 0.0037707900000000, -0.0014534000000000 ] - [ -0.0013417900000000, -0.0002362100000000, -0.0000875200000000 ] - [ -0.0002402900000000, 0.0031458600000000, 0.0017325000000000 ] - [ 0.0213578800000000, -0.0014771700000000, -0.0050643200000000 ] - [ -0.0031452300000000, 0.0002752500000000, -0.0004160900000000 ] - [ 0.0277302500000000, 0.0006892700000000, 0.0034002800000000 ] - [ 0.0039354000000000, -0.0003334100000000, -0.0002407600000000 ] - [ 0.0031592500000000, 0.0043214300000000, 0.0051855800000000 ] - [ 0.0036534600000000, 0.0001335600000000, 0.0002720100000000 ] - [ 0.0000684200000000, 0.0001788700000000, -0.0002701600000000 ] - [ -0.0005260300000000, -0.0006216300000000, -0.0001778000000000 ] - [ -0.0013317500000000, -0.0003727800000000, -0.0002965300000000 ] - [ 0.0010989000000000, 0.0005495700000000, -0.0004334300000000 ] - [ 0.0019663800000000, -0.0002622200000000, -0.0001616500000000 ] - [ -0.0025179000000000, -0.0025075800000000, 0.0004949500000000 ] - [ -0.0111543600000000, -0.0001904300000000, -0.0015691700000000 ] - [ 0.0012249500000000, 0.0001525400000000, 0.0000345800000000 ] - [ -0.0003124000000000, 0.0003171900000000, -0.0002056400000000 ] - [ 0.0003047200000000, 0.0030708600000000, 0.0052901500000000 ] - [ -0.0007078700000000, 0.0005161600000000, 0.0007277000000000 ] - [ 0.0013675000000000, 0.0004896700000000, 0.0010955800000000 ] - [ 0.0018471400000000, 0.0009092100000000, -0.0002303400000000 ] - [ 0.0033508600000000, 0.0053231400000000, -0.0064408600000000 ] - [ -0.0006981200000000, 0.0000581300000000, 0.0001805400000000 ] - [ -0.0007686400000000, 0.0010314300000000, 0.0011559100000000 ] - [ 0.0012940500000000, -0.0003618600000000, -0.0001589500000000 ] - [ -0.0013744600000000, 0.0007731300000000, -0.0010396800000000 ] - [ -0.0019538700000000, 0.0001083000000000, 0.0004950000000000 ] - [ 0.0021433800000000, -0.0102072900000000, 0.0006218700000000 ] - [ -0.0023083100000000, -0.0003482400000000, -0.0004315400000000 ] - [ 0.0005146100000000, 0.0001025700000000, -0.0003874800000000 ] - [ 0.0030952000000000, 0.0009093900000000, -0.0000941200000000 ] - [ 0.0000509200000000, 0.0007160600000000, 0.0012535100000000 ] - [ 0.0012280300000000, 0.0000343600000000, 0.0002682300000000 ] - [ 0.0005916800000000, -0.0002555900000000, -0.0002935000000000 ] - [ 0.0022050900000000, -0.0029993300000000, -0.0035305900000000 ] - [ 0.0001942300000000, 0.0008877300000000, -0.0010439000000000 ] - [ -0.1004201000000000, -0.0046638700000000, 0.0006377100000000 ] - [ 0.0014538900000000, 0.0004187700000000, -0.0000695400000000 ] - [ 0.0006840300000000, 0.0002400600000000, -0.0001498600000000 ] - [ 0.0015004300000000, -0.0001836500000000, -0.0000373000000000 ] - [ 0.0003709500000000, 0.0003031600000000, -0.0000799900000000 ] - [ 0.0010190900000000, 0.0003508900000000, 0.0002469300000000 ] - [ 0.0059407000000000, -0.0152152300000000, -0.0170264000000000 ] - [ 0.0060005100000000, 0.0061509200000000, 0.0060247400000000 ] - [ 0.0004639800000000, 0.0001272400000000, 0.0000835100000000 ] - [ 0.0007988000000000, 0.0002201100000000, 0.0002994700000000 ] - [ 0.0006214500000000, 0.0005556100000000, -0.0000700800000000 ] - [ 0.0003173700000000, 0.0028602200000000, -0.0000815300000000 ] - [ -0.0032363900000000, 0.0000513600000000, -0.0006833800000000 ] - [ 0.0022462300000000, -0.0012214100000000, -0.0001842700000000 ] - [ 0.0052372800000000, 0.0054132500000000, -0.0050212000000000 ] - [ -0.0012658800000000, -0.0007722200000000, -0.0003600400000000 ] - [ -0.0013883300000000, -0.0006649300000000, -0.0049831100000000 ] - [ -0.0001724600000000, -0.0016078700000000, -0.0007529300000000 ] - [ 0.0000815100000000, 0.0001594900000000, 0.0002357500000000 ] - [ -0.0049500200000000, 0.0086231000000000, 0.0009306300000000 ] - [ 0.0004707800000000, 0.0005954600000000, 0.0001395600000000 ] - [ 0.0013502400000000, -0.0002612000000000, 0.0000414300000000 ] - [ -0.0028996400000000, 0.0003271600000000, 0.0006334100000000 ] - [ 0.0070631100000000, -0.0184583000000000, 0.0192117600000000 ] - [ 0.0026153000000000, -0.0004401800000000, 0.0003226100000000 ] - [ 0.0016982100000000, 0.0000941900000000, -0.0000771000000000 ] - [ 0.0005793800000000, -0.0005850400000000, -0.0002440900000000 ] - [ -0.0048838800000000, 0.0051260500000000, -0.0074420200000000 ] - [ 0.0009384900000000, -0.0001777500000000, -0.0001940300000000 ] - [ -0.0000993600000000, 0.0001389500000000, -0.0003639200000000 ] - [ 0.0006673100000000, 0.0003294000000000, 0.0000314700000000 ] - [ 0.0002099900000000, -0.0001439000000000, -0.0000478000000000 ] - [ 0.0006456500000000, 0.0004092900000000, 0.0004140500000000 ] - [ 0.0015169200000000, 0.0000380600000000, -0.0002963500000000 ] - [ 0.0009509900000000, -0.0000035000000000, 0.0000088800000000 ] - [ -0.0000205200000000, -0.0005615400000000, 0.0007584100000000 ] - [ -0.0001210300000000, 0.0007137800000000, -0.0006593100000000 ] - [ -0.0000686900000000, 0.0029712600000000, 0.0004351100000000 ] - [ 0.0025185600000000, -0.0006099800000000, -0.0002450500000000 ] - [ 0.0015384600000000, 0.0003190000000000, 0.0001525000000000 ] - [ 0.0020417300000000, -0.0017942300000000, 0.0018230300000000 ] - [ 0.0012881800000000, -0.0003462600000000, -0.0001016900000000 ] - [ 0.0007636900000000, -0.0005828800000000, -0.0000296300000000 ] - [ 0.0021024900000000, -0.0024104800000000, 0.0037126000000000 ] - [ 0.0024144100000000, -0.0015718200000000, -0.0014123900000000 ] - [ -0.0016634000000000, 0.0042835700000000, 0.0046486300000000 ] - [ 0.0002968500000000, -0.0003567900000000, 0.0001313900000000 ] - [ 0.0005725800000000, -0.0005056000000000, 0.0000914800000000 ] - [ -0.0015201700000000, -0.0004496600000000, 0.0033308200000000 ] - [ -0.0014123700000000, -0.0003131500000000, -0.0001301100000000 ] - [ 0.0023010000000000, 0.0018428600000000, -0.0001554600000000 ] - [ 0.0008485400000000, -0.0001421300000000, -0.0001985000000000 ] - [ -0.0008946400000000, -0.0000021000000000, 0.0002581900000000 ] - [ -0.0003124100000000, -0.0008581000000000, 0.0005040600000000 ] - [ 0.0002471600000000, -0.0008562000000000, -0.0000092300000000 ] - [ 0.0010226900000000, 0.0000942600000000, 0.0003251300000000 ] - [ 0.0007837100000000, -0.0001154600000000, -0.0001346600000000 ] - [ -0.0003990700000000, 0.0003055800000000, 0.0001800100000000 ] - [ -0.0007143300000000, 0.0003327000000000, -0.0000319900000000 ] - [ 0.0256561500000000, -0.0027796100000000, -0.0036370400000000 ] - [ -0.0006960100000000, -0.0002828600000000, -0.0012688400000000 ] - [ -0.0004940200000000, -0.0001822600000000, -0.0005594100000000 ] - [ 0.0007084100000000, -0.0002586300000000, 0.0000450100000000 ] - [ 0.0014900000000000, 0.0006915000000000, -0.0007934200000000 ] - [ -0.0012416700000000, -0.0003420100000000, -0.0003828400000000 ] - [ -0.0004147200000000, -0.0002426900000000, 0.0001586700000000 ] - [ 0.0048118000000000, 0.0089070000000000, -0.0039655100000000 ] - [ 0.0008970700000000, 0.0024522600000000, 0.0009076800000000 ] - [ 0.0001129900000000, -0.0000498900000000, 0.0000235400000000 ] - [ -0.0010439700000000, 0.0004700200000000, -0.0001642800000000 ] - [ 0.0018656500000000, 0.0005484500000000, 0.0003840900000000 ] - [ 0.0008198100000000, -0.0000365300000000, 0.0000390500000000 ] - [ 0.0003223700000000, -0.0002140100000000, 0.0002271500000000 ] - [ 0.0000019500000000, -0.0007725200000000, 0.0004293800000000 ] - [ 0.0002917900000000, -0.0002877700000000, -0.0002741300000000 ] - [ 0.0009900700000000, 0.0008110500000000, -0.0000546000000000 ] - [ 0.0056107500000000, 0.0107371800000000, 0.0042064200000000 ] - [ -0.0030700100000000, 0.0000617500000000, -0.0000486900000000 ] - [ 0.0004743600000000, 0.0001558800000000, -0.0001407800000000 ] - [ 0.0005020800000000, -0.0000109000000000, 0.0000513100000000 ] - [ -0.0001659900000000, -0.0002471800000000, -0.0002123100000000 ] - [ 0.0006068900000000, -0.0001944100000000, 0.0006210100000000 ] - [ -0.0007585900000000, -0.0015316700000000, -0.0001350300000000 ] - [ 0.0007940400000000, 0.0002744500000000, 0.0003362400000000 ] - [ -0.0010101200000000, -0.0002720800000000, -0.0001926200000000 ] - [ 0.0000280900000000, -0.0005524600000000, 0.0002521500000000 ] - [ -0.0014665400000000, -0.0001291400000000, 0.0004139600000000 ] - [ -0.0008461600000000, -0.0000140700000000, 0.0000630700000000 ] - [ -0.0011296900000000, -0.0001250900000000, 0.0003037600000000 ] - [ -0.0000570300000000, -0.0003442800000000, 0.0003078700000000 ] - [ -0.0028590000000000, 0.0013653700000000, 0.0007908700000000 ] - [ 0.0002147200000000, 0.0001501400000000, -0.0004214900000000 ] - [ 0.0003572200000000, 0.0004463000000000, -0.0000300300000000 ] - [ 0.0006017400000000, 0.0016293000000000, -0.0007252400000000 ] - [ -0.0002193800000000, -0.0003240000000000, 0.0002658300000000 ] - [ 0.0003969700000000, -0.0001585600000000, -0.0005849700000000 ] - [ -0.0006932100000000, -0.0001279500000000, 0.0000209800000000 ] - [ -0.0025692400000000, 0.0019463700000000, -0.0014479600000000 ] - [ -0.0007419200000000, -0.0005193100000000, -0.0002948400000000 ] - [ -0.0000041300000000, 0.0001733400000000, 0.0000425700000000 ] - [ -0.0009574700000000, -0.0004084600000000, 0.0001215600000000 ] - [ 0.0010270000000000, 0.0000112300000000, -0.0002020000000000 ] - [ -0.0005963600000000, -0.0006651900000000, -0.0004745300000000 ] - [ -0.0005696500000000, -0.0013780300000000, 0.0011553100000000 ] - [ 0.0004696600000000, -0.0004658900000000, -0.0001765100000000 ]- atom: 80 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006359700000000, 0.0007853600000000, 0.0000562000000000 ] - [ 0.0031443100000000, 0.0001347800000000, 0.0002598600000000 ] - [ 0.0012765300000000, -0.0000725100000000, -0.0007844000000000 ] - [ 0.0005930800000000, -0.0008443900000000, 0.0002008600000000 ] - [ 0.0006093600000000, 0.0002823700000000, -0.0028939500000000 ] - [ 0.0000439700000000, 0.0006045700000000, 0.0002473700000000 ] - [ 0.0005035900000000, 0.0005734600000000, 0.0016018300000000 ] - [ -0.0002348100000000, -0.0002286200000000, 0.0002484700000000 ] - [ -0.0077031100000000, 0.0044596800000000, -0.0004348300000000 ] - [ -0.0001333900000000, 0.0004455100000000, 0.0009310400000000 ] - [ -0.0002531900000000, -0.0001406900000000, -0.0006806400000000 ] - [ 0.0002413400000000, -0.0001310600000000, 0.0006529900000000 ] - [ 0.0000445300000000, 0.0007667800000000, 0.0004432900000000 ] - [ 0.0002459300000000, 0.0000829600000000, 0.0006219100000000 ] - [ 0.0002072900000000, 0.0001106000000000, -0.0006402600000000 ] - [ 0.0004558500000000, -0.0000370500000000, -0.0006380700000000 ] - [ 0.0004145100000000, -0.0001628200000000, -0.0006454200000000 ] - [ 0.0005301900000000, -0.0000342700000000, 0.0003396300000000 ] - [ 0.0003497200000000, 0.0000720900000000, -0.0006423000000000 ] - [ -0.0015447700000000, -0.0002722800000000, -0.0001515800000000 ] - [ 0.0005835900000000, 0.0001142500000000, 0.0010254500000000 ] - [ -0.0019089000000000, -0.0001831500000000, 0.0016536100000000 ] - [ -0.0007818900000000, 0.0003760000000000, -0.0006685700000000 ] - [ -0.0015522800000000, 0.0002385100000000, -0.0006955000000000 ] - [ 0.0032228100000000, -0.0004842300000000, 0.0006927900000000 ] - [ 0.0015040200000000, -0.0004071900000000, 0.0000664300000000 ] - [ 0.0029247700000000, -0.0001327100000000, -0.0007156500000000 ] - [ 0.0001840300000000, 0.0006764300000000, -0.0002700300000000 ] - [ 0.0009293100000000, 0.0009025000000000, -0.0001128800000000 ] - [ -0.0026945100000000, -0.0013269300000000, -0.0037038500000000 ] - [ 0.0022365700000000, 0.0001272200000000, -0.0000244400000000 ] - [ 0.0015066700000000, -0.0003026100000000, 0.0002642000000000 ] - [ 0.0037408100000000, 0.0070992400000000, -0.0004528700000000 ] - [ -0.0002885000000000, 0.0025504000000000, -0.0000732800000000 ] - [ 0.0008661900000000, 0.0001037000000000, -0.0003960100000000 ] - [ 0.0028227200000000, -0.0009461300000000, -0.0038443100000000 ] - [ 0.0019715000000000, 0.0007055000000000, -0.0002969200000000 ] - [ 0.0017012100000000, -0.0009330800000000, 0.0048607500000000 ] - [ 0.0028131200000000, 0.0005084300000000, 0.0004554300000000 ] - [ 0.0008760700000000, 0.0002026100000000, -0.0001479400000000 ] - [ 0.0020807700000000, -0.0007267200000000, 0.0003140400000000 ] - [ -0.0023206200000000, -0.0005184400000000, 0.0014784400000000 ] - [ 0.0001643500000000, -0.0035345300000000, 0.0017992900000000 ] - [ 0.0017995100000000, -0.0003264900000000, -0.0003333600000000 ] - [ -0.0002398100000000, -0.0036972000000000, -0.0013104400000000 ] - [ -0.0210999300000000, 0.0024166600000000, 0.0051161500000000 ] - [ 0.0027208600000000, -0.0000506100000000, 0.0000682900000000 ] - [ -0.0284849600000000, -0.0006773200000000, -0.0032675700000000 ] - [ -0.0028865200000000, 0.0003303900000000, 0.0002448600000000 ] - [ -0.0034686300000000, -0.0040850200000000, -0.0048048300000000 ] - [ -0.0036269500000000, 0.0006764600000000, -0.0002705700000000 ] - [ 0.0003343500000000, -0.0003950000000000, -0.0000778000000000 ] - [ 0.0000505200000000, 0.0000537100000000, -0.0002456000000000 ] - [ 0.0013214400000000, -0.0004424300000000, 0.0002911000000000 ] - [ -0.0014780500000000, -0.0007725200000000, 0.0007724500000000 ] - [ -0.0019543800000000, -0.0005525400000000, 0.0001569800000000 ] - [ 0.0028885900000000, 0.0026856000000000, -0.0008284100000000 ] - [ 0.0105059700000000, 0.0007458900000000, 0.0011265500000000 ] - [ -0.0022366300000000, -0.0001544200000000, -0.0000360900000000 ] - [ 0.0007071700000000, -0.0005364900000000, 0.0005457200000000 ] - [ 0.0021693100000000, -0.0023785600000000, -0.0055122800000000 ] - [ 0.0002346100000000, 0.0000483400000000, -0.0002981600000000 ] - [ -0.0008733900000000, 0.0000545800000000, -0.0006590300000000 ] - [ -0.0022089400000000, -0.0011057600000000, -0.0001206800000000 ] - [ -0.0028235000000000, -0.0058390600000000, 0.0068029600000000 ] - [ 0.0017091900000000, -0.0000586900000000, -0.0001772800000000 ] - [ 0.0011727600000000, -0.0007974500000000, -0.0007915900000000 ] - [ -0.0008025600000000, -0.0002006300000000, -0.0002662400000000 ] - [ 0.0008977100000000, -0.0013177100000000, 0.0014390700000000 ] - [ 0.0019359900000000, 0.0007006600000000, -0.0004865000000000 ] - [ -0.0024935200000000, 0.0103357000000000, -0.0009405800000000 ] - [ 0.0012712700000000, 0.0003417700000000, 0.0004247000000000 ] - [ -0.0009698100000000, 0.0002052400000000, 0.0003710500000000 ] - [ -0.0030610700000000, 0.0002161100000000, -0.0000519700000000 ] - [ 0.0007161400000000, -0.0007124700000000, -0.0012475700000000 ] - [ -0.0007592300000000, -0.0003435600000000, -0.0002728600000000 ] - [ -0.0001968800000000, -0.0006156400000000, -0.0000153900000000 ] - [ -0.0021506700000000, 0.0021097500000000, 0.0032860000000000 ] - [ 0.0005338100000000, -0.0004924000000000, 0.0012633400000000 ] - [ 0.0977315300000000, 0.0033423700000000, -0.0012650700000000 ] - [ -0.0014342400000000, 0.0002287200000000, 0.0000673000000000 ] - [ -0.0005918500000000, 0.0005351400000000, -0.0000330500000000 ] - [ -0.0014818600000000, -0.0004611000000000, 0.0000347700000000 ] - [ -0.0004222000000000, 0.0005797900000000, -0.0001779100000000 ] - [ -0.0003042500000000, 0.0000403600000000, -0.0004676800000000 ] - [ -0.0066269000000000, 0.0146202300000000, 0.0169941800000000 ] - [ -0.0053438400000000, -0.0066237500000000, -0.0063207200000000 ] - [ -0.0012061700000000, -0.0001290500000000, -0.0000863000000000 ] - [ -0.0004032200000000, 0.0006550200000000, 0.0000086200000000 ] - [ -0.0002263200000000, 0.0003212800000000, -0.0002373700000000 ] - [ -0.0002529700000000, -0.0019663200000000, 0.0003381400000000 ] - [ 0.0016579100000000, -0.0000556100000000, 0.0006850600000000 ] - [ -0.0022972900000000, 0.0004314400000000, -0.0000011000000000 ] - [ -0.0037343600000000, -0.0055067900000000, 0.0050995100000000 ] - [ 0.0017096700000000, 0.0004480700000000, 0.0003752800000000 ] - [ 0.0009601100000000, 0.0003479700000000, 0.0048778900000000 ] - [ -0.0002130800000000, 0.0007198100000000, 0.0010613000000000 ] - [ -0.0000227100000000, -0.0010341200000000, 0.0000240700000000 ] - [ 0.0046013200000000, -0.0081640900000000, -0.0009215800000000 ] - [ -0.0005207800000000, 0.0002899500000000, 0.0001182400000000 ] - [ -0.0008791500000000, 0.0005658500000000, -0.0000316600000000 ] - [ 0.0021565300000000, 0.0000657100000000, -0.0008501100000000 ] - [ -0.0077702300000000, 0.0181713300000000, -0.0189004800000000 ] - [ -0.0025839500000000, -0.0002067300000000, -0.0003198800000000 ] - [ -0.0016871600000000, 0.0005512100000000, 0.0000801200000000 ] - [ -0.0006295500000000, -0.0002976200000000, -0.0000121600000000 ] - [ 0.0048657700000000, -0.0043071500000000, 0.0075583400000000 ] - [ -0.0008454100000000, -0.0005980200000000, 0.0003708700000000 ] - [ -0.0002881700000000, -0.0010059400000000, 0.0000536700000000 ] - [ -0.0013688400000000, 0.0000606700000000, 0.0001951400000000 ] - [ -0.0006659900000000, -0.0001666700000000, 0.0000579200000000 ] - [ -0.0007260700000000, 0.0003658000000000, -0.0002247100000000 ] - [ 0.0000269300000000, -0.0000394600000000, 0.0002946700000000 ] - [ -0.0024740700000000, 0.0000022100000000, -0.0000086200000000 ] - [ 0.0000813400000000, 0.0014306200000000, -0.0010182000000000 ] - [ 0.0000455900000000, 0.0000724800000000, 0.0004829700000000 ] - [ -0.0003114400000000, -0.0020883800000000, -0.0007442100000000 ] - [ -0.0024894900000000, -0.0005158700000000, 0.0003894100000000 ] - [ -0.0015292600000000, 0.0008054400000000, -0.0000081200000000 ] - [ -0.0012719700000000, 0.0017596200000000, -0.0017876600000000 ] - [ -0.0019824400000000, -0.0000478200000000, -0.0001232500000000 ] - [ -0.0007517500000000, -0.0005419600000000, -0.0001148700000000 ] - [ -0.0024946500000000, 0.0032800400000000, -0.0034142200000000 ] - [ -0.0016802200000000, 0.0011538900000000, 0.0016072700000000 ] - [ 0.0020199600000000, -0.0038680100000000, -0.0045200200000000 ] - [ -0.0003478300000000, -0.0005228700000000, 0.0001253800000000 ] - [ -0.0001784700000000, -0.0003688600000000, 0.0002176800000000 ] - [ 0.0014573800000000, -0.0003418300000000, -0.0030589800000000 ] - [ 0.0009498300000000, 0.0006196800000000, 0.0001186900000000 ] - [ -0.0022813900000000, -0.0007019400000000, 0.0000079100000000 ] - [ -0.0000960100000000, 0.0001373600000000, 0.0001932700000000 ] - [ 0.0013441200000000, -0.0003047200000000, -0.0002655800000000 ] - [ 0.0006960300000000, -0.0000307500000000, -0.0008026000000000 ] - [ -0.0001923600000000, -0.0000285700000000, -0.0002457100000000 ] - [ -0.0003065900000000, 0.0002939000000000, -0.0000958400000000 ] - [ -0.0006924800000000, -0.0006590900000000, -0.0000489700000000 ] - [ 0.0003945900000000, 0.0003401100000000, -0.0001796500000000 ] - [ 0.0007928500000000, 0.0004435400000000, -0.0001497300000000 ] - [ -0.0251363500000000, 0.0020550200000000, 0.0035524600000000 ] - [ 0.0006253800000000, 0.0011715500000000, 0.0010027600000000 ] - [ 0.0012020400000000, 0.0005743100000000, 0.0003364900000000 ] - [ -0.0014105400000000, -0.0001338200000000, 0.0001775600000000 ] - [ -0.0007675200000000, -0.0010701700000000, 0.0005598300000000 ] - [ 0.0004844000000000, 0.0003447400000000, 0.0003838000000000 ] - [ 0.0007957900000000, 0.0011218400000000, 0.0001482300000000 ] - [ -0.0043782500000000, -0.0079133500000000, 0.0035666300000000 ] - [ -0.0008313200000000, -0.0015299800000000, -0.0006356900000000 ] - [ -0.0016465400000000, 0.0000494500000000, -0.0000235900000000 ] - [ 0.0009536300000000, -0.0012379200000000, -0.0000200200000000 ] - [ -0.0003144100000000, -0.0005407400000000, -0.0003794300000000 ] - [ -0.0003557900000000, -0.0002729700000000, -0.0000292900000000 ] - [ -0.0007758500000000, -0.0000964400000000, -0.0002333600000000 ] - [ -0.0003931400000000, -0.0001019100000000, -0.0001156300000000 ] - [ -0.0002360900000000, -0.0005901500000000, 0.0005272000000000 ] - [ -0.0014356800000000, -0.0004908400000000, 0.0000635700000000 ] - [ -0.0056059000000000, -0.0096616000000000, -0.0038512200000000 ] - [ 0.0035000600000000, 0.0002224500000000, 0.0000574000000000 ] - [ -0.0011792300000000, 0.0002353600000000, -0.0000834800000000 ] - [ -0.0012445000000000, 0.0000098500000000, -0.0000494600000000 ] - [ 0.0001478100000000, -0.0003966100000000, 0.0002116200000000 ] - [ -0.0006119500000000, 0.0008368300000000, -0.0006139300000000 ] - [ 0.0006938600000000, 0.0006408900000000, -0.0001258700000000 ] - [ -0.0007022400000000, 0.0005031700000000, -0.0001494700000000 ] - [ 0.0010881200000000, -0.0004978700000000, 0.0003723900000000 ] - [ -0.0004178300000000, -0.0003207000000000, -0.0005551100000000 ] - [ 0.0007454000000000, 0.0005191700000000, -0.0001876800000000 ] - [ 0.0003843200000000, -0.0002932500000000, -0.0000518600000000 ] - [ 0.0010394300000000, 0.0008981100000000, -0.0001180000000000 ] - [ 0.0015961400000000, 0.0003447000000000, -0.0003086700000000 ] - [ 0.0012962800000000, -0.0013474600000000, -0.0007818600000000 ] - [ -0.0001609000000000, 0.0007329800000000, 0.0001593200000000 ] - [ -0.0004409600000000, 0.0003312400000000, -0.0001519100000000 ] - [ -0.0009838700000000, -0.0007325700000000, 0.0004052800000000 ] - [ 0.0002077900000000, -0.0007975300000000, -0.0001184900000000 ] - [ -0.0004183100000000, 0.0012761600000000, 0.0007266900000000 ] - [ 0.0014385100000000, 0.0001308500000000, -0.0000228300000000 ] - [ 0.0018353000000000, -0.0023078800000000, 0.0012037400000000 ] - [ 0.0007191100000000, -0.0006069600000000, 0.0001480400000000 ] - [ -0.0003870100000000, 0.0007017600000000, 0.0002636200000000 ] - [ 0.0016634500000000, 0.0000195300000000, 0.0001043600000000 ] - [ -0.0005607000000000, 0.0002987900000000, 0.0001892400000000 ] - [ 0.0005329100000000, -0.0002289000000000, 0.0007277200000000 ] - [ 0.0009496000000000, 0.0004935800000000, -0.0008330900000000 ] - [ -0.0005513900000000, -0.0003116200000000, 0.0003557400000000 ]- atom: 80 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002332300000000, -0.0001346300000000, -0.0004813900000000 ] - [ 0.0005242600000000, 0.0018971500000000, 0.0001479600000000 ] - [ -0.0009186100000000, -0.0007515700000000, 0.0003784600000000 ] - [ 0.0000204200000000, -0.0003872700000000, 0.0002424600000000 ] - [ -0.0000831400000000, 0.0018633300000000, 0.0010517500000000 ] - [ 0.0000820400000000, -0.0006064400000000, 0.0002727300000000 ] - [ -0.0007225600000000, -0.0010205900000000, -0.0017255300000000 ] - [ 0.0004711400000000, -0.0005883500000000, 0.0001548100000000 ] - [ -0.0024508000000000, 0.0073465000000000, -0.0006693700000000 ] - [ -0.0003302500000000, -0.0011593200000000, 0.0001827000000000 ] - [ -0.0000182900000000, 0.0004673000000000, -0.0006321700000000 ] - [ -0.0002033900000000, -0.0001287700000000, 0.0006013500000000 ] - [ -0.0002746100000000, -0.0009888500000000, 0.0009521500000000 ] - [ -0.0002088200000000, 0.0000465600000000, 0.0006682400000000 ] - [ -0.0001377500000000, 0.0001261000000000, -0.0006402300000000 ] - [ -0.0002423300000000, -0.0000578800000000, -0.0006417000000000 ] - [ 0.0000539600000000, -0.0001300600000000, -0.0006284300000000 ] - [ -0.0000558800000000, -0.0000627000000000, 0.0008199600000000 ] - [ 0.0000909900000000, 0.0000581100000000, -0.0006456500000000 ] - [ -0.0000317600000000, 0.0001037900000000, 0.0029864100000000 ] - [ -0.0000731200000000, 0.0001400300000000, 0.0004519600000000 ] - [ -0.0003243100000000, 0.0000673100000000, -0.0023801500000000 ] - [ -0.0000107900000000, -0.0003329400000000, -0.0006985400000000 ] - [ 0.0013072100000000, -0.0018566500000000, -0.0004710000000000 ] - [ -0.0002934800000000, 0.0003967300000000, -0.0002172000000000 ] - [ 0.0001346100000000, 0.0003343800000000, 0.0001938300000000 ] - [ -0.0008284900000000, 0.0008546400000000, 0.0003063900000000 ] - [ 0.0004534200000000, -0.0016873200000000, -0.0002040000000000 ] - [ -0.0013949300000000, -0.0009432400000000, -0.0002899900000000 ] - [ -0.0002804000000000, 0.0028297900000000, 0.0026229100000000 ] - [ -0.0006384300000000, 0.0002899800000000, 0.0001617500000000 ] - [ -0.0001997600000000, -0.0003408100000000, -0.0000916500000000 ] - [ -0.0080804200000000, -0.0025641800000000, -0.0002961400000000 ] - [ 0.0005048400000000, -0.0042337300000000, -0.0001877000000000 ] - [ -0.0006818600000000, 0.0000822500000000, 0.0000874600000000 ] - [ -0.0002976300000000, 0.0050128800000000, -0.0004724200000000 ] - [ -0.0004683500000000, -0.0004951800000000, -0.0001369800000000 ] - [ -0.0013877300000000, 0.0054143400000000, 0.0003537500000000 ] - [ -0.0002790400000000, 0.0007330800000000, 0.0001586000000000 ] - [ -0.0004488700000000, -0.0005431300000000, -0.0001829500000000 ] - [ 0.0005970000000000, -0.0001597300000000, 0.0002583000000000 ] - [ 0.0004146200000000, 0.0028270900000000, -0.0026719000000000 ] - [ 0.0014446200000000, -0.0013401300000000, 0.0024660800000000 ] - [ -0.0004131600000000, -0.0002971700000000, -0.0001225700000000 ] - [ 0.0008976900000000, -0.0018568400000000, -0.0015509600000000 ] - [ 0.0097053500000000, 0.0490372400000000, 0.0297700500000000 ] - [ -0.0022726900000000, -0.0000654000000000, -0.0003993400000000 ] - [ 0.0113823200000000, 0.0487061000000000, -0.0222018800000000 ] - [ 0.0018097500000000, -0.0047952700000000, -0.0037488100000000 ] - [ 0.0041584900000000, -0.0021969600000000, -0.0011271100000000 ] - [ 0.0017776000000000, -0.0042712400000000, 0.0035834000000000 ] - [ 0.0004702100000000, 0.0004248900000000, -0.0002442500000000 ] - [ -0.0003453100000000, -0.0003278500000000, -0.0002804200000000 ] - [ -0.0002362000000000, -0.0004937000000000, -0.0001788900000000 ] - [ -0.0002695800000000, -0.0028222200000000, -0.0005636000000000 ] - [ 0.0000299200000000, -0.0011070100000000, -0.0011334100000000 ] - [ -0.0027256500000000, -0.0003995700000000, 0.0002439300000000 ] - [ -0.0037969200000000, 0.0012850200000000, -0.0006699500000000 ] - [ -0.0004765200000000, -0.0006557800000000, 0.0010254600000000 ] - [ 0.0002225500000000, -0.0006325000000000, -0.0000517500000000 ] - [ -0.0209945200000000, 0.0200340100000000, 0.0018710600000000 ] - [ -0.0000943900000000, -0.0003472600000000, 0.0005727100000000 ] - [ -0.0000111300000000, -0.0030686400000000, 0.0014109900000000 ] - [ 0.0011887000000000, 0.0020912000000000, -0.0002681000000000 ] - [ 0.0041103600000000, -0.0013233600000000, 0.0009151500000000 ] - [ 0.0003171200000000, -0.0000834600000000, 0.0001456400000000 ] - [ 0.0013220900000000, 0.0001616000000000, 0.0006765600000000 ] - [ 0.0002836400000000, -0.0000436900000000, -0.0002606700000000 ] - [ 0.0008828500000000, -0.0000273200000000, -0.0004804000000000 ] - [ -0.0006856800000000, 0.0000553100000000, 0.0002735700000000 ] - [ -0.0043298700000000, -0.0090708100000000, 0.0001720500000000 ] - [ -0.0011403300000000, -0.0003551400000000, -0.0002784000000000 ] - [ -0.0002305500000000, 0.0000341000000000, -0.0001097600000000 ] - [ 0.0034062500000000, 0.0003494800000000, -0.0002610900000000 ] - [ 0.0011611100000000, -0.0005513400000000, 0.0000576300000000 ] - [ 0.0004493600000000, -0.0002442800000000, 0.0000866000000000 ] - [ 0.0003665700000000, -0.0002142600000000, -0.0003116500000000 ] - [ -0.0028531600000000, -0.0005844400000000, 0.0037836500000000 ] - [ 0.0010848500000000, -0.0006553800000000, 0.0000943800000000 ] - [ -0.0032316400000000, -0.1684099400000000, -0.0081570300000000 ] - [ 0.0007781100000000, 0.0003558300000000, -0.0000243700000000 ] - [ 0.0001877300000000, 0.0003444300000000, -0.0000931800000000 ] - [ 0.0005404600000000, 0.0000588900000000, -0.0000263500000000 ] - [ 0.0000071500000000, 0.0001630100000000, -0.0001176200000000 ] - [ 0.0003359700000000, 0.0000900400000000, -0.0000967100000000 ] - [ -0.0119977800000000, -0.0000692800000000, 0.0057288400000000 ] - [ 0.0062140100000000, -0.0015820700000000, 0.0022174500000000 ] - [ -0.0002263400000000, -0.0001137300000000, -0.0000848200000000 ] - [ 0.0002716300000000, 0.0001849500000000, 0.0001770000000000 ] - [ 0.0003830600000000, 0.0008152100000000, -0.0000292600000000 ] - [ 0.0009350200000000, 0.0032016100000000, -0.0000802700000000 ] - [ -0.0018800800000000, -0.0006162900000000, 0.0008011400000000 ] - [ 0.0007798300000000, -0.0008769700000000, -0.0001510700000000 ] - [ 0.0079586000000000, -0.0016573000000000, -0.0012875800000000 ] - [ -0.0003526600000000, -0.0012394900000000, 0.0001037700000000 ] - [ -0.0004933100000000, -0.0048462500000000, -0.0002904100000000 ] - [ -0.0000640900000000, -0.0015531300000000, 0.0004220300000000 ] - [ 0.0001964800000000, 0.0002218200000000, 0.0004064700000000 ] - [ 0.0088009900000000, 0.0281261800000000, 0.0006012100000000 ] - [ 0.0002240400000000, 0.0008181800000000, 0.0001254600000000 ] - [ 0.0007157300000000, -0.0000832900000000, -0.0000179100000000 ] - [ -0.0014280700000000, -0.0005763600000000, -0.0006929400000000 ] - [ -0.0113288500000000, -0.0003422800000000, -0.0053622900000000 ] - [ 0.0006862200000000, -0.0008146200000000, 0.0000566800000000 ] - [ -0.0008342000000000, 0.0004464500000000, 0.0001820600000000 ] - [ 0.0000359800000000, -0.0006711200000000, -0.0001319500000000 ] - [ -0.0046575700000000, 0.0056737900000000, -0.0084250100000000 ] - [ 0.0002489300000000, -0.0004790600000000, -0.0000079700000000 ] - [ -0.0000067900000000, 0.0003217800000000, -0.0005469800000000 ] - [ -0.0001681400000000, 0.0000796800000000, 0.0001667900000000 ] - [ -0.0001941300000000, -0.0002194100000000, -0.0000038200000000 ] - [ -0.0000213400000000, 0.0003155900000000, 0.0001952200000000 ] - [ 0.0007919400000000, -0.0001513800000000, -0.0000367800000000 ] - [ -0.0002188300000000, -0.0002320300000000, -0.0001120800000000 ] - [ 0.0001419800000000, -0.0009899300000000, -0.0005230600000000 ] - [ 0.0002818200000000, 0.0005386300000000, 0.0000597700000000 ] - [ 0.0006999800000000, 0.0031138400000000, 0.0003657200000000 ] - [ 0.0005051400000000, -0.0011776300000000, -0.0000581200000000 ] - [ -0.0008909500000000, 0.0008039800000000, -0.0001305800000000 ] - [ 0.0008203000000000, -0.0010510700000000, 0.0009770300000000 ] - [ 0.0001697700000000, -0.0005227900000000, 0.0000607700000000 ] - [ 0.0001218400000000, -0.0003993900000000, -0.0000421900000000 ] - [ -0.0032735600000000, 0.0006940600000000, -0.0038460700000000 ] - [ 0.0008288800000000, -0.0009971700000000, -0.0006087000000000 ] - [ -0.0036780600000000, 0.0066027400000000, 0.0077583700000000 ] - [ 0.0000661100000000, -0.0002915400000000, 0.0001481100000000 ] - [ 0.0002224100000000, -0.0006546600000000, 0.0001332000000000 ] - [ 0.0000178300000000, -0.0047152800000000, 0.0009332900000000 ] - [ -0.0007328500000000, 0.0008495000000000, -0.0012939800000000 ] - [ 0.0041697300000000, 0.0018825300000000, 0.0000500900000000 ] - [ 0.0004092400000000, 0.0000841700000000, -0.0000047800000000 ] - [ 0.0002621600000000, 0.0013757200000000, 0.0009786800000000 ] - [ 0.0000554200000000, -0.0012962000000000, 0.0006507200000000 ] - [ 0.0000055100000000, -0.0002312100000000, -0.0000083000000000 ] - [ 0.0004956800000000, 0.0003076200000000, 0.0001842800000000 ] - [ 0.0003103800000000, -0.0001326500000000, -0.0001090700000000 ] - [ -0.0000738600000000, 0.0003062800000000, 0.0001370100000000 ] - [ 0.0000974000000000, 0.0002212100000000, -0.0000762600000000 ] - [ 0.0082714100000000, -0.0008709300000000, -0.0014106300000000 ] - [ -0.0006658200000000, 0.0023841100000000, 0.0001227300000000 ] - [ 0.0000251400000000, 0.0007501200000000, 0.0004979500000000 ] - [ -0.0000507000000000, 0.0000063100000000, 0.0002211800000000 ] - [ 0.0008792500000000, 0.0005181500000000, -0.0006859100000000 ] - [ -0.0001719200000000, 0.0003602100000000, -0.0000247700000000 ] - [ -0.0004566600000000, 0.0022351600000000, 0.0001539900000000 ] - [ 0.0081015300000000, 0.0051936500000000, -0.0027316300000000 ] - [ 0.0004424900000000, 0.0005180100000000, 0.0003963800000000 ] - [ -0.0006372300000000, 0.0001079900000000, -0.0000647400000000 ] - [ -0.0008953600000000, 0.0025321500000000, -0.0001071600000000 ] - [ 0.0012853800000000, 0.0004700500000000, 0.0003297600000000 ] - [ 0.0003637900000000, -0.0000405700000000, 0.0000193600000000 ] - [ -0.0001464000000000, -0.0000165300000000, 0.0001365800000000 ] - [ -0.0002876600000000, -0.0001987700000000, 0.0003143300000000 ] - [ 0.0000667300000000, -0.0005508500000000, -0.0000428500000000 ] - [ 0.0004356100000000, 0.0005270900000000, 0.0000140800000000 ] - [ 0.0092396400000000, 0.0047177600000000, 0.0023329400000000 ] - [ 0.0010789400000000, 0.0102693200000000, -0.0001742500000000 ] - [ -0.0002387300000000, 0.0003372900000000, 0.0000053200000000 ] - [ -0.0001198500000000, 0.0002846500000000, -0.0001959000000000 ] - [ -0.0002422300000000, 0.0000409600000000, -0.0001788400000000 ] - [ -0.0020377400000000, 0.0003496300000000, -0.0001497500000000 ] - [ -0.0006689700000000, 0.0008860900000000, -0.0002950200000000 ] - [ 0.0001536300000000, 0.0004209400000000, 0.0002417700000000 ] - [ 0.0001567800000000, 0.0011771900000000, -0.0009795600000000 ] - [ -0.0000714700000000, -0.0007137800000000, 0.0001796200000000 ] - [ -0.0001741900000000, 0.0005310100000000, 0.0002100900000000 ] - [ -0.0004183000000000, 0.0004777400000000, 0.0000012200000000 ] - [ -0.0005524400000000, 0.0012355800000000, 0.0015507300000000 ] - [ 0.0004774800000000, 0.0004258200000000, -0.0004771900000000 ] - [ -0.0006513300000000, 0.0018552600000000, 0.0014179500000000 ] - [ -0.0000734000000000, 0.0007311900000000, -0.0002518100000000 ] - [ 0.0000163200000000, 0.0003933900000000, -0.0000712200000000 ] - [ 0.0001888800000000, 0.0003720100000000, -0.0005025500000000 ] - [ -0.0002161400000000, -0.0000620100000000, 0.0002329800000000 ] - [ -0.0021993800000000, 0.0003707300000000, 0.0003033500000000 ] - [ -0.0005735900000000, 0.0014047000000000, -0.0005666200000000 ] - [ -0.0004766000000000, 0.0027007000000000, -0.0023088300000000 ] - [ -0.0006974800000000, -0.0007688200000000, -0.0001776300000000 ] - [ -0.0002242300000000, 0.0007075600000000, 0.0000012500000000 ] - [ -0.0007140600000000, 0.0009589400000000, 0.0004664500000000 ] - [ 0.0003414900000000, 0.0001970000000000, -0.0001384700000000 ] - [ -0.0002100700000000, -0.0011183800000000, -0.0004475600000000 ] - [ -0.0003600400000000, 0.0010709100000000, 0.0001593000000000 ] - [ 0.0000359500000000, -0.0002488500000000, -0.0000647500000000 ]- atom: 80 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002380800000000, 0.0011024800000000, 0.0000312300000000 ] - [ -0.0005217500000000, -0.0009310900000000, 0.0003078400000000 ] - [ 0.0009219300000000, -0.0002163400000000, -0.0008373300000000 ] - [ -0.0000187900000000, -0.0005796700000000, 0.0002126400000000 ] - [ 0.0000831000000000, -0.0008935100000000, -0.0015180400000000 ] - [ -0.0000854800000000, 0.0015696200000000, 0.0001804900000000 ] - [ 0.0007228200000000, 0.0000584400000000, 0.0012759100000000 ] - [ -0.0004699600000000, -0.0003774300000000, 0.0003004200000000 ] - [ 0.0020843100000000, -0.0068918100000000, -0.0006039900000000 ] - [ 0.0005269900000000, 0.0009718300000000, 0.0011045900000000 ] - [ 0.0002157100000000, -0.0002799200000000, -0.0006454900000000 ] - [ 0.0000060400000000, -0.0000581500000000, 0.0006770400000000 ] - [ 0.0004729800000000, 0.0011762000000000, 0.0003225000000000 ] - [ 0.0000133500000000, 0.0001395600000000, 0.0006088800000000 ] - [ -0.0000592100000000, 0.0000607200000000, -0.0006399300000000 ] - [ 0.0000459700000000, -0.0001274300000000, -0.0006379100000000 ] - [ 0.0001460500000000, -0.0000568300000000, -0.0006493600000000 ] - [ 0.0002555100000000, -0.0001230000000000, 0.0004590000000000 ] - [ 0.0001080400000000, 0.0001279000000000, -0.0006319900000000 ] - [ -0.0001723300000000, -0.0002871300000000, -0.0017050400000000 ] - [ 0.0002729900000000, 0.0000470600000000, 0.0008303000000000 ] - [ 0.0001187500000000, 0.0001257100000000, 0.0036535000000000 ] - [ -0.0001896800000000, 0.0005185000000000, -0.0005817300000000 ] - [ -0.0015287300000000, 0.0016774900000000, -0.0008115800000000 ] - [ 0.0013282200000000, -0.0003991800000000, 0.0002205800000000 ] - [ -0.0005236600000000, -0.0001120100000000, 0.0001518900000000 ] - [ 0.0008433900000000, -0.0000429400000000, -0.0003101800000000 ] - [ -0.0000566700000000, 0.0014654800000000, -0.0001417100000000 ] - [ 0.0009163000000000, 0.0003759800000000, -0.0001336400000000 ] - [ 0.0002750000000000, -0.0036590300000000, -0.0026207600000000 ] - [ 0.0002491900000000, -0.0005092100000000, 0.0001829700000000 ] - [ 0.0002065700000000, -0.0004726000000000, 0.0000933500000000 ] - [ 0.0085671800000000, 0.0027457200000000, -0.0000413200000000 ] - [ -0.0009696300000000, 0.0048143000000000, -0.0002353000000000 ] - [ -0.0003328400000000, -0.0000809500000000, -0.0000897700000000 ] - [ 0.0006802200000000, -0.0052361700000000, 0.0008095800000000 ] - [ 0.0009585800000000, 0.0010583800000000, -0.0002862800000000 ] - [ 0.0009057900000000, -0.0048489500000000, 0.0000693200000000 ] - [ 0.0007623600000000, -0.0001687200000000, 0.0002650100000000 ] - [ 0.0000586800000000, 0.0003215000000000, -0.0001618000000000 ] - [ -0.0001142300000000, -0.0004015100000000, 0.0001623100000000 ] - [ 0.0005986800000000, -0.0028220300000000, 0.0026677100000000 ] - [ -0.0010415700000000, 0.0015662700000000, -0.0021144400000000 ] - [ 0.0008962600000000, -0.0002657400000000, -0.0002991300000000 ] - [ -0.0013648700000000, 0.0012967500000000, 0.0019654600000000 ] - [ -0.0100489800000000, -0.0493888300000000, -0.0319373600000000 ] - [ 0.0018972900000000, 0.0002848300000000, 0.0000559600000000 ] - [ -0.0129855700000000, -0.0500493600000000, 0.0242356300000000 ] - [ -0.0008022900000000, 0.0047784700000000, 0.0037193300000000 ] - [ -0.0045586900000000, 0.0023862100000000, 0.0014486800000000 ] - [ -0.0017878000000000, 0.0050711600000000, -0.0035512000000000 ] - [ -0.0000739500000000, -0.0006453900000000, -0.0000997600000000 ] - [ -0.0001341900000000, -0.0002314900000000, -0.0001426400000000 ] - [ 0.0002414200000000, -0.0003219100000000, 0.0001789900000000 ] - [ -0.0001361700000000, 0.0025872700000000, 0.0009043800000000 ] - [ -0.0000373400000000, 0.0002901000000000, 0.0011245400000000 ] - [ 0.0031190300000000, 0.0006407100000000, -0.0005912100000000 ] - [ 0.0033896400000000, -0.0007108100000000, 0.0002554500000000 ] - [ -0.0005495600000000, 0.0006544100000000, -0.0010185200000000 ] - [ 0.0001728900000000, 0.0004049200000000, 0.0003964400000000 ] - [ 0.0216119100000000, -0.0193881500000000, -0.0023205200000000 ] - [ -0.0003848300000000, 0.0009072000000000, -0.0001506900000000 ] - [ 0.0004812900000000, 0.0036185000000000, -0.0009820700000000 ] - [ -0.0015883900000000, -0.0023087600000000, -0.0000751600000000 ] - [ -0.0036401000000000, 0.0007132200000000, -0.0004521300000000 ] - [ 0.0007077700000000, 0.0000834100000000, -0.0001456800000000 ] - [ -0.0009224300000000, 0.0000505800000000, -0.0003364400000000 ] - [ 0.0001889200000000, -0.0005157500000000, -0.0001616900000000 ] - [ -0.0013541500000000, -0.0005411600000000, 0.0009082900000000 ] - [ 0.0006932200000000, 0.0007613200000000, -0.0002737500000000 ] - [ 0.0039019700000000, 0.0093254000000000, -0.0005159900000000 ] - [ 0.0001274300000000, 0.0003562500000000, 0.0002783200000000 ] - [ -0.0002327600000000, 0.0002781700000000, 0.0001022000000000 ] - [ -0.0034403600000000, 0.0007785000000000, 0.0001178800000000 ] - [ -0.0004089400000000, 0.0005520900000000, -0.0000566300000000 ] - [ 0.0000051100000000, -0.0000671700000000, -0.0000974700000000 ] - [ 0.0000234500000000, -0.0006583500000000, 0.0000037700000000 ] - [ 0.0029036400000000, -0.0003053400000000, -0.0040364500000000 ] - [ -0.0003694900000000, 0.0010486600000000, 0.0001295100000000 ] - [ 0.0047915500000000, 0.1698442300000000, 0.0081115200000000 ] - [ -0.0007839500000000, 0.0002911200000000, 0.0000225200000000 ] - [ -0.0001040600000000, 0.0004340200000000, -0.0000899000000000 ] - [ -0.0005536300000000, -0.0007072400000000, 0.0000239500000000 ] - [ -0.0000631900000000, 0.0007205800000000, -0.0001400400000000 ] - [ 0.0003726300000000, 0.0002981000000000, -0.0001320200000000 ] - [ 0.0113216600000000, -0.0002280600000000, -0.0054822300000000 ] - [ -0.0055129900000000, 0.0012451500000000, -0.0024363000000000 ] - [ -0.0005262500000000, 0.0001121900000000, 0.0000828000000000 ] - [ 0.0001174200000000, 0.0006914200000000, 0.0001307900000000 ] - [ 0.0000058300000000, 0.0000604300000000, -0.0002797400000000 ] - [ -0.0008923500000000, -0.0023279600000000, 0.0003439900000000 ] - [ 0.0003463500000000, 0.0006161100000000, -0.0008011300000000 ] - [ -0.0008762400000000, 0.0001042600000000, -0.0000310300000000 ] - [ -0.0064613500000000, 0.0017065500000000, 0.0012730700000000 ] - [ 0.0008164000000000, 0.0009313300000000, -0.0000949400000000 ] - [ 0.0000453000000000, 0.0045426900000000, 0.0002548000000000 ] - [ -0.0003259000000000, 0.0006776200000000, -0.0001115300000000 ] - [ -0.0001419700000000, -0.0011036100000000, -0.0001501600000000 ] - [ -0.0094691700000000, -0.0284977000000000, -0.0006155400000000 ] - [ -0.0002809800000000, 0.0000663000000000, 0.0001329900000000 ] - [ -0.0002632500000000, 0.0003973600000000, 0.0000274300000000 ] - [ 0.0007237300000000, 0.0009679100000000, 0.0004651000000000 ] - [ 0.0106072900000000, 0.0004385300000000, 0.0053479200000000 ] - [ -0.0006880200000000, 0.0001677100000000, -0.0000555500000000 ] - [ 0.0008245300000000, 0.0001997900000000, -0.0001790500000000 ] - [ -0.0000929500000000, -0.0002109300000000, -0.0001250400000000 ] - [ 0.0047799400000000, -0.0049449500000000, 0.0086394200000000 ] - [ -0.0001677600000000, -0.0002993000000000, 0.0001917500000000 ] - [ -0.0003848500000000, -0.0011966100000000, 0.0002401700000000 ] - [ -0.0005468500000000, 0.0003103600000000, 0.0000589900000000 ] - [ -0.0002653900000000, -0.0000925800000000, 0.0000137800000000 ] - [ -0.0000681100000000, 0.0004617100000000, -0.0000136800000000 ] - [ 0.0007466200000000, 0.0001501100000000, 0.0000394200000000 ] - [ -0.0013307300000000, 0.0002333600000000, 0.0001125500000000 ] - [ -0.0000860800000000, 0.0018692200000000, 0.0002635000000000 ] - [ -0.0003637700000000, 0.0002390900000000, -0.0002424900000000 ] - [ -0.0011051700000000, -0.0022500300000000, -0.0006832500000000 ] - [ -0.0005079500000000, 0.0000536800000000, 0.0002051500000000 ] - [ 0.0008818800000000, 0.0003206900000000, 0.0002747100000000 ] - [ -0.0000796900000000, 0.0010575700000000, -0.0009836800000000 ] - [ -0.0008890600000000, 0.0001340300000000, -0.0002864100000000 ] - [ -0.0001240200000000, -0.0007258700000000, -0.0001032800000000 ] - [ 0.0028779800000000, 0.0001705900000000, 0.0041533900000000 ] - [ -0.0001301300000000, 0.0006127900000000, 0.0008413000000000 ] - [ 0.0041504400000000, -0.0063249000000000, -0.0077653000000000 ] - [ -0.0001218000000000, -0.0005881700000000, 0.0001079100000000 ] - [ 0.0001671900000000, -0.0002198000000000, 0.0001753900000000 ] - [ -0.0000951700000000, 0.0039389800000000, -0.0007467100000000 ] - [ 0.0002737100000000, -0.0005384800000000, 0.0012755500000000 ] - [ -0.0041514500000000, -0.0007591800000000, -0.0001944100000000 ] - [ 0.0003391000000000, -0.0000868100000000, 0.0000025600000000 ] - [ 0.0002041000000000, -0.0016811700000000, -0.0009808300000000 ] - [ 0.0003369800000000, 0.0004169000000000, -0.0009606700000000 ] - [ 0.0000478300000000, -0.0006437600000000, -0.0002478900000000 ] - [ 0.0002135000000000, 0.0000831500000000, 0.0000407900000000 ] - [ -0.0002297600000000, -0.0006465300000000, -0.0000738700000000 ] - [ 0.0000815600000000, 0.0003399000000000, -0.0001396200000000 ] - [ -0.0000092800000000, 0.0005556500000000, -0.0001073500000000 ] - [ -0.0084397500000000, 0.0002555000000000, 0.0014280000000000 ] - [ 0.0006117000000000, -0.0014908500000000, -0.0003757900000000 ] - [ 0.0006871600000000, -0.0003570100000000, -0.0007191700000000 ] - [ -0.0006656100000000, -0.0004000700000000, 0.0000010700000000 ] - [ -0.0001706700000000, -0.0009140900000000, 0.0004646900000000 ] - [ -0.0005740600000000, -0.0003573600000000, 0.0000258200000000 ] - [ 0.0008553800000000, -0.0013560800000000, 0.0001502900000000 ] - [ -0.0076581300000000, -0.0043335000000000, 0.0023914800000000 ] - [ -0.0003918700000000, 0.0003494800000000, -0.0001431300000000 ] - [ -0.0009072800000000, -0.0001088100000000, 0.0000648000000000 ] - [ 0.0008080200000000, -0.0033133700000000, -0.0000751900000000 ] - [ 0.0002531000000000, -0.0004726300000000, -0.0003313100000000 ] - [ 0.0000926600000000, -0.0002710000000000, -0.0000105700000000 ] - [ -0.0003133400000000, -0.0002937700000000, -0.0001467000000000 ] - [ -0.0001048900000000, -0.0006691700000000, -0.0000070900000000 ] - [ -0.0000129300000000, -0.0003298600000000, 0.0003017600000000 ] - [ -0.0008984700000000, -0.0002191100000000, -0.0000037000000000 ] - [ -0.0092211900000000, -0.0038485100000000, -0.0020440500000000 ] - [ -0.0006034400000000, -0.0098539900000000, 0.0001806800000000 ] - [ -0.0004760800000000, 0.0000533500000000, -0.0002306200000000 ] - [ -0.0006340800000000, -0.0002883300000000, 0.0001993400000000 ] - [ 0.0002418900000000, -0.0006867600000000, 0.0001805800000000 ] - [ 0.0020374200000000, 0.0003006200000000, 0.0001476200000000 ] - [ 0.0006214400000000, -0.0017597000000000, 0.0000410800000000 ] - [ -0.0000712300000000, 0.0003568300000000, -0.0000594200000000 ] - [ -0.0000637600000000, -0.0019499900000000, 0.0011535600000000 ] - [ -0.0003201300000000, -0.0001585700000000, -0.0004900400000000 ] - [ -0.0005310700000000, -0.0001362600000000, 0.0000124200000000 ] - [ -0.0000397500000000, -0.0007872900000000, 0.0000079200000000 ] - [ 0.0004670000000000, -0.0004570500000000, -0.0013577700000000 ] - [ 0.0010646600000000, -0.0004248400000000, 0.0004747500000000 ] - [ -0.0008736600000000, -0.0018559800000000, -0.0014153000000000 ] - [ 0.0001267800000000, 0.0001571600000000, -0.0000053000000000 ] - [ -0.0001037000000000, 0.0003838300000000, -0.0001120600000000 ] - [ -0.0005834500000000, 0.0004944300000000, 0.0001968600000000 ] - [ 0.0002159600000000, -0.0010627800000000, -0.0000876400000000 ] - [ 0.0021992800000000, 0.0007579600000000, -0.0001541500000000 ] - [ 0.0013225700000000, -0.0014082900000000, 0.0005717800000000 ] - [ -0.0002200200000000, -0.0030922700000000, 0.0020806300000000 ] - [ 0.0006960300000000, -0.0003572400000000, 0.0000330500000000 ] - [ -0.0001674300000000, 0.0001729300000000, 0.0003071100000000 ] - [ 0.0014232300000000, -0.0013525200000000, -0.0002461400000000 ] - [ 0.0001148900000000, 0.0001138000000000, 0.0001291800000000 ] - [ 0.0001574300000000, 0.0002310300000000, 0.0007065400000000 ] - [ 0.0007532400000000, -0.0019360300000000, 0.0001461900000000 ] - [ -0.0001227500000000, -0.0005288400000000, 0.0002485600000000 ]- atom: 80 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002937700000000, 0.0004906500000000, -0.0003109600000000 ] - [ 0.0004988400000000, 0.0002970400000000, 0.0030580500000000 ] - [ 0.0016481400000000, 0.0008662900000000, -0.0007781700000000 ] - [ 0.0000447000000000, -0.0005320400000000, -0.0010111300000000 ] - [ 0.0017071200000000, 0.0015232400000000, -0.0008729100000000 ] - [ 0.0001192100000000, 0.0004555500000000, 0.0015689600000000 ] - [ -0.0004110000000000, -0.0006422200000000, -0.0004287600000000 ] - [ 0.0001801300000000, -0.0004581800000000, -0.0017210900000000 ] - [ 0.0001255700000000, -0.0006712300000000, 0.0043342000000000 ] - [ -0.0011736000000000, -0.0017540300000000, 0.0005483300000000 ] - [ -0.0000097300000000, 0.0001073300000000, -0.0019272000000000 ] - [ -0.0000261800000000, -0.0001296900000000, 0.0006319200000000 ] - [ 0.0010932200000000, 0.0016960000000000, 0.0006997300000000 ] - [ -0.0000961300000000, 0.0001347000000000, 0.0006491400000000 ] - [ -0.0000683500000000, 0.0000954400000000, -0.0008611800000000 ] - [ -0.0000614100000000, -0.0001127400000000, -0.0004419000000000 ] - [ 0.0001302700000000, -0.0000786100000000, -0.0003990900000000 ] - [ 0.0001078700000000, -0.0000634800000000, 0.0006416700000000 ] - [ 0.0001382200000000, 0.0000934800000000, -0.0008568100000000 ] - [ 0.0013675100000000, 0.0019433000000000, -0.0006665600000000 ] - [ 0.0001533500000000, 0.0000481100000000, 0.0006321700000000 ] - [ -0.0018462500000000, -0.0021387600000000, -0.0010988600000000 ] - [ -0.0001793400000000, 0.0000506600000000, -0.0019338700000000 ] - [ -0.0002003600000000, -0.0001047400000000, 0.0007764100000000 ] - [ 0.0005706800000000, 0.0000742600000000, 0.0006389000000000 ] - [ -0.0010876500000000, 0.0004074600000000, 0.0003790600000000 ] - [ 0.0002056500000000, 0.0005019800000000, 0.0007841500000000 ] - [ 0.0001968900000000, -0.0001773500000000, -0.0017010000000000 ] - [ -0.0007826600000000, -0.0005458100000000, -0.0053186400000000 ] - [ -0.0006254500000000, -0.0008845200000000, -0.0189879300000000 ] - [ 0.0023065000000000, -0.0004121400000000, -0.0001529100000000 ] - [ 0.0001629400000000, -0.0003868400000000, -0.0007255200000000 ] - [ -0.0006100000000000, -0.0013781900000000, 0.0112561800000000 ] - [ -0.0002045200000000, -0.0000086200000000, 0.0017617700000000 ] - [ -0.0003045300000000, 0.0000589200000000, -0.0006882700000000 ] - [ 0.0086106100000000, -0.0040170600000000, -0.0045209500000000 ] - [ 0.0002582900000000, 0.0002726200000000, 0.0003430900000000 ] - [ -0.0081899700000000, 0.0030706000000000, -0.0040741700000000 ] - [ -0.0020799000000000, 0.0003894700000000, -0.0000920100000000 ] - [ -0.0001349500000000, -0.0000748200000000, -0.0006459200000000 ] - [ 0.0014222600000000, -0.0008295500000000, 0.0004002000000000 ] - [ 0.0007811700000000, 0.0016276100000000, -0.0187342300000000 ] - [ -0.0007032400000000, 0.0035136200000000, -0.0003637400000000 ] - [ 0.0002838000000000, -0.0004459700000000, -0.0010740200000000 ] - [ 0.0002812500000000, -0.0043986400000000, -0.0004432800000000 ] - [ 0.0062813800000000, 0.0124872900000000, 0.0362421000000000 ] - [ -0.0002190400000000, -0.0000456200000000, 0.0005096400000000 ] - [ -0.0078162000000000, -0.0080448300000000, 0.0286813100000000 ] - [ 0.0001990200000000, -0.0003482100000000, 0.0020650100000000 ] - [ 0.0079056800000000, -0.0062963700000000, -0.0036554700000000 ] - [ -0.0002341500000000, 0.0006621200000000, 0.0020128200000000 ] - [ 0.0002829700000000, -0.0003241000000000, -0.0009140000000000 ] - [ -0.0001514900000000, -0.0002864000000000, -0.0008130200000000 ] - [ 0.0001078900000000, -0.0003895700000000, -0.0004216700000000 ] - [ -0.0006609700000000, 0.0029431900000000, 0.0002447900000000 ] - [ -0.0001884200000000, -0.0006174700000000, -0.0020087700000000 ] - [ 0.0004203600000000, 0.0000064800000000, 0.0002914400000000 ] - [ -0.0003513100000000, 0.0000366200000000, 0.0008185100000000 ] - [ -0.0007627300000000, 0.0001685200000000, -0.0020924900000000 ] - [ -0.0005516700000000, 0.0003540300000000, 0.0000218200000000 ] - [ -0.0013508500000000, 0.0013576100000000, 0.0224845800000000 ] - [ 0.0009709900000000, -0.0003387500000000, 0.0000345800000000 ] - [ 0.0006531600000000, -0.0035676200000000, 0.0004023300000000 ] - [ -0.0005934300000000, -0.0006077300000000, -0.0046237100000000 ] - [ -0.0071975800000000, 0.0049562400000000, -0.0039433100000000 ] - [ 0.0006665400000000, 0.0000214300000000, -0.0004541900000000 ] - [ 0.0030812400000000, -0.0002069100000000, 0.0005190300000000 ] - [ 0.0003556100000000, -0.0004249100000000, -0.0020585100000000 ] - [ -0.0029088200000000, -0.0000494100000000, 0.0004914400000000 ] - [ 0.0001227200000000, 0.0004123000000000, 0.0004114700000000 ] - [ 0.0000818400000000, 0.0006868500000000, 0.0053509200000000 ] - [ -0.0003924400000000, 0.0000239000000000, 0.0004613400000000 ] - [ -0.0007180300000000, -0.0000692900000000, 0.0000248700000000 ] - [ 0.0002264300000000, 0.0003298400000000, -0.0015083400000000 ] - [ 0.0024488500000000, 0.0023153100000000, 0.0042045400000000 ] - [ -0.0002056300000000, -0.0003444200000000, -0.0000130500000000 ] - [ 0.0000244800000000, -0.0005648500000000, 0.0002829700000000 ] - [ -0.0022491000000000, 0.0029470600000000, 0.0007129200000000 ] - [ -0.0017291600000000, -0.0019375000000000, 0.0042435000000000 ] - [ 0.0013743600000000, -0.0061874900000000, -0.1401959600000000 ] - [ 0.0001398600000000, 0.0002715100000000, 0.0006193800000000 ] - [ -0.0000192800000000, 0.0003885400000000, 0.0003858500000000 ] - [ 0.0000125000000000, -0.0003109200000000, -0.0002402600000000 ] - [ 0.0001284800000000, 0.0000711600000000, 0.0001743500000000 ] - [ 0.0004836000000000, 0.0005797700000000, 0.0004142400000000 ] - [ -0.0199873400000000, 0.0106087700000000, 0.0065257500000000 ] - [ 0.0140625500000000, 0.0064400100000000, -0.0008330100000000 ] - [ -0.0002389600000000, 0.0005001900000000, 0.0006066700000000 ] - [ 0.0002452000000000, 0.0003777200000000, -0.0002673800000000 ] - [ 0.0001976300000000, 0.0004057800000000, -0.0003777700000000 ] - [ -0.0002534600000000, -0.0002321300000000, -0.0018292100000000 ] - [ -0.0031540200000000, -0.0013798100000000, 0.0030832900000000 ] - [ 0.0000394200000000, -0.0004410100000000, -0.0006073900000000 ] - [ -0.0147220200000000, -0.0044489300000000, -0.0002875500000000 ] - [ 0.0006413700000000, -0.0002166600000000, 0.0072917400000000 ] - [ -0.0046989200000000, -0.0005079900000000, 0.0191754300000000 ] - [ -0.0006873200000000, 0.0019810300000000, 0.0016872500000000 ] - [ 0.0004033700000000, -0.0003144300000000, 0.0012434200000000 ] - [ 0.0003707400000000, 0.0002900700000000, -0.0186640000000000 ] - [ -0.0001190100000000, 0.0004061000000000, -0.0002426000000000 ] - [ 0.0001654100000000, 0.0001517000000000, -0.0004536300000000 ] - [ 0.0019802300000000, 0.0021495100000000, 0.0031842200000000 ] - [ 0.0180489800000000, -0.0116471000000000, 0.0063955500000000 ] - [ 0.0038919100000000, -0.0004438300000000, -0.0000417700000000 ] - [ -0.0014693600000000, 0.0006751400000000, 0.0001298700000000 ] - [ -0.0002238900000000, -0.0002231300000000, -0.0004480500000000 ] - [ 0.0075673000000000, -0.0081762000000000, 0.0185057100000000 ] - [ 0.0003195900000000, -0.0002862900000000, 0.0000535000000000 ] - [ -0.0004957200000000, -0.0008387400000000, 0.0010678200000000 ] - [ -0.0007031500000000, -0.0002053800000000, 0.0006500200000000 ] - [ -0.0002907300000000, -0.0001384700000000, 0.0004564000000000 ] - [ 0.0002748000000000, 0.0004907100000000, 0.0001478000000000 ] - [ 0.0003739700000000, -0.0002485600000000, 0.0004449200000000 ] - [ -0.0010791300000000, -0.0002336500000000, -0.0004008000000000 ] - [ 0.0007004300000000, -0.0014564400000000, 0.0010893400000000 ] - [ 0.0005226700000000, 0.0002251500000000, 0.0088338200000000 ] - [ 0.0002472200000000, 0.0010711900000000, -0.0015392200000000 ] - [ -0.0040204400000000, -0.0005730700000000, 0.0002683500000000 ] - [ 0.0012962400000000, 0.0001710700000000, 0.0002084600000000 ] - [ 0.0006412400000000, 0.0004813500000000, -0.0005758100000000 ] - [ -0.0002074300000000, 0.0001205700000000, -0.0005904300000000 ] - [ -0.0000396700000000, -0.0005572400000000, 0.0001574100000000 ] - [ 0.0020649500000000, -0.0022482100000000, 0.0006501200000000 ] - [ -0.0001005600000000, -0.0006879300000000, -0.0005346700000000 ] - [ -0.0067592300000000, 0.0114083700000000, 0.0200936400000000 ] - [ -0.0000245300000000, -0.0004222600000000, 0.0003676200000000 ] - [ 0.0000094100000000, -0.0000262600000000, 0.0005168000000000 ] - [ 0.0031251400000000, -0.0011919300000000, 0.0174209900000000 ] - [ -0.0001862500000000, -0.0011846800000000, 0.0001826600000000 ] - [ -0.0003729700000000, 0.0006676100000000, -0.0006787500000000 ] - [ 0.0001843300000000, 0.0003850300000000, 0.0004197400000000 ] - [ 0.0001646200000000, -0.0010708100000000, -0.0000880200000000 ] - [ 0.0005939700000000, -0.0003522200000000, 0.0010507300000000 ] - [ 0.0001755400000000, -0.0009096900000000, -0.0004688300000000 ] - [ 0.0004276800000000, -0.0000871000000000, 0.0004495900000000 ] - [ -0.0000049900000000, -0.0004048000000000, -0.0003869500000000 ] - [ -0.0001042800000000, 0.0003253900000000, 0.0002616700000000 ] - [ 0.0001015100000000, 0.0003733800000000, 0.0011037800000000 ] - [ 0.0019016400000000, -0.0007917300000000, -0.0006652600000000 ] - [ -0.0012248300000000, 0.0038617700000000, 0.0016751000000000 ] - [ 0.0004636400000000, 0.0011608600000000, 0.0008996100000000 ] - [ -0.0002927400000000, -0.0004615500000000, -0.0001943200000000 ] - [ 0.0001994400000000, 0.0000830300000000, -0.0004330900000000 ] - [ -0.0001900200000000, 0.0012472600000000, 0.0012158600000000 ] - [ -0.0004344000000000, 0.0034801100000000, -0.0010303800000000 ] - [ -0.0053305400000000, -0.0045005600000000, -0.0020812800000000 ] - [ 0.0000063000000000, 0.0005127800000000, -0.0000955600000000 ] - [ -0.0007640400000000, -0.0001618000000000, 0.0002466300000000 ] - [ 0.0000361200000000, -0.0004082400000000, -0.0012897700000000 ] - [ 0.0007529400000000, -0.0001592000000000, -0.0002684200000000 ] - [ 0.0001518000000000, -0.0001745800000000, 0.0002800900000000 ] - [ -0.0000778900000000, -0.0003075700000000, -0.0000253700000000 ] - [ -0.0000658000000000, -0.0006771600000000, 0.0005171100000000 ] - [ -0.0001221300000000, -0.0004916500000000, 0.0005380900000000 ] - [ -0.0003348600000000, 0.0001384300000000, -0.0002617900000000 ] - [ 0.0055824800000000, 0.0044240800000000, -0.0020642500000000 ] - [ 0.0004340800000000, 0.0001456100000000, -0.0018843300000000 ] - [ -0.0005141600000000, 0.0004347400000000, 0.0001763900000000 ] - [ -0.0005474900000000, 0.0003775800000000, -0.0004123100000000 ] - [ -0.0014416400000000, -0.0000092400000000, -0.0000815000000000 ] - [ 0.0044133100000000, 0.0001149900000000, 0.0008143700000000 ] - [ 0.0005699300000000, -0.0029701900000000, -0.0011000700000000 ] - [ -0.0002044800000000, 0.0005365200000000, 0.0000780100000000 ] - [ 0.0003262800000000, 0.0006747000000000, 0.0000791900000000 ] - [ -0.0001847800000000, -0.0004403800000000, 0.0001029500000000 ] - [ -0.0003713600000000, -0.0006975500000000, 0.0010161600000000 ] - [ -0.0001179900000000, -0.0001606800000000, 0.0011369800000000 ] - [ 0.0001742200000000, 0.0018407800000000, 0.0002579500000000 ] - [ 0.0009285900000000, -0.0006520100000000, 0.0007668800000000 ] - [ -0.0006399200000000, -0.0006546900000000, -0.0008987900000000 ] - [ -0.0002175900000000, 0.0007326000000000, 0.0002117900000000 ] - [ -0.0001042100000000, 0.0003654900000000, 0.0002106400000000 ] - [ -0.0003273500000000, 0.0004774000000000, -0.0005640900000000 ] - [ 0.0009945200000000, -0.0008841500000000, -0.0000295700000000 ] - [ -0.0046092200000000, 0.0006138600000000, 0.0008994500000000 ] - [ 0.0005193800000000, 0.0013221500000000, -0.0012482400000000 ] - [ -0.0001967400000000, 0.0007447400000000, -0.0011302000000000 ] - [ 0.0000828000000000, -0.0006225000000000, 0.0006178600000000 ] - [ -0.0004069100000000, 0.0008675000000000, -0.0002199700000000 ] - [ 0.0004281000000000, -0.0011365600000000, -0.0008460000000000 ] - [ 0.0003743800000000, 0.0000178100000000, 0.0000119200000000 ] - [ -0.0003421900000000, -0.0006313200000000, 0.0015867300000000 ] - [ 0.0011654300000000, -0.0030329200000000, 0.0015395900000000 ] - [ -0.0003090200000000, -0.0002299200000000, 0.0001010700000000 ]- atom: 80 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002993200000000, 0.0004803800000000, -0.0001455900000000 ] - [ -0.0004996500000000, 0.0006529200000000, -0.0025984000000000 ] - [ -0.0016330900000000, -0.0018229400000000, 0.0003205700000000 ] - [ -0.0000407100000000, -0.0004370900000000, 0.0014668600000000 ] - [ -0.0017098300000000, -0.0005741100000000, 0.0003844100000000 ] - [ -0.0001216500000000, 0.0005195700000000, -0.0011169700000000 ] - [ 0.0004195300000000, -0.0003129500000000, 0.0000002900000000 ] - [ -0.0001882200000000, -0.0004996100000000, 0.0021809500000000 ] - [ 0.0000459800000000, 0.0005193600000000, -0.0056014800000000 ] - [ 0.0013738200000000, 0.0015823300000000, 0.0007317000000000 ] - [ 0.0002091800000000, 0.0000709100000000, 0.0006503000000000 ] - [ -0.0001690700000000, -0.0000575500000000, 0.0006452700000000 ] - [ -0.0008947100000000, -0.0014958300000000, 0.0005801500000000 ] - [ -0.0000977700000000, 0.0000530700000000, 0.0006281700000000 ] - [ -0.0001272800000000, 0.0000919200000000, -0.0004185600000000 ] - [ -0.0001311600000000, -0.0000741900000000, -0.0008370600000000 ] - [ 0.0000696600000000, -0.0001090300000000, -0.0008784100000000 ] - [ 0.0000932900000000, -0.0001239800000000, 0.0006340300000000 ] - [ 0.0000602400000000, 0.0000940200000000, -0.0004200400000000 ] - [ -0.0015849300000000, -0.0021490300000000, 0.0019195900000000 ] - [ 0.0000475900000000, 0.0001389800000000, 0.0006525400000000 ] - [ 0.0016300900000000, 0.0023131400000000, 0.0024018700000000 ] - [ -0.0000243800000000, 0.0001454600000000, 0.0006575300000000 ] - [ 0.0000030600000000, -0.0000797100000000, -0.0020589600000000 ] - [ 0.0004874100000000, -0.0000787300000000, -0.0006285700000000 ] - [ 0.0006955000000000, -0.0001834600000000, -0.0000367400000000 ] - [ -0.0001806400000000, 0.0003049200000000, -0.0007962500000000 ] - [ 0.0001976000000000, -0.0000283600000000, 0.0013555500000000 ] - [ 0.0003282300000000, 0.0000274700000000, 0.0049016400000000 ] - [ 0.0005985500000000, 0.0000953200000000, 0.0189263800000000 ] - [ -0.0026809100000000, 0.0001767100000000, 0.0004995600000000 ] - [ -0.0001508300000000, -0.0004239500000000, 0.0007322500000000 ] - [ 0.0009995800000000, 0.0016830200000000, -0.0115935600000000 ] - [ -0.0002920100000000, 0.0005893700000000, -0.0021791600000000 ] - [ -0.0007179000000000, -0.0000573600000000, 0.0006821200000000 ] - [ -0.0081377000000000, 0.0037181500000000, 0.0048754900000000 ] - [ 0.0002349000000000, 0.0002832100000000, -0.0007587900000000 ] - [ 0.0077919100000000, -0.0025760000000000, 0.0044747900000000 ] - [ 0.0025851100000000, 0.0001565100000000, 0.0005073000000000 ] - [ -0.0002504400000000, -0.0001516600000000, 0.0002996900000000 ] - [ -0.0009354700000000, 0.0002733100000000, 0.0000191100000000 ] - [ 0.0002183900000000, -0.0016202700000000, 0.0188350400000000 ] - [ 0.0010920300000000, -0.0032814400000000, 0.0006789300000000 ] - [ 0.0002259400000000, -0.0001003100000000, 0.0006541700000000 ] - [ -0.0007699700000000, 0.0038431600000000, 0.0008798000000000 ] - [ -0.0067979700000000, -0.0142129700000000, -0.0385497900000000 ] - [ -0.0001507300000000, 0.0002771200000000, -0.0008530000000000 ] - [ 0.0062078700000000, 0.0059999000000000, -0.0270135200000000 ] - [ 0.0008057800000000, 0.0003794000000000, -0.0020236100000000 ] - [ -0.0083751800000000, 0.0065416800000000, 0.0039689800000000 ] - [ 0.0002051300000000, 0.0001817700000000, -0.0020528100000000 ] - [ 0.0001076300000000, 0.0000848200000000, 0.0005716800000000 ] - [ -0.0003360500000000, -0.0002614400000000, 0.0003967200000000 ] - [ -0.0000976700000000, -0.0004233000000000, 0.0004246700000000 ] - [ 0.0002592900000000, -0.0031612600000000, 0.0001110200000000 ] - [ 0.0001761800000000, -0.0001954700000000, 0.0020220600000000 ] - [ 0.0000134200000000, 0.0002503800000000, -0.0006466600000000 ] - [ -0.0000101200000000, 0.0005143400000000, -0.0012211300000000 ] - [ -0.0002762000000000, -0.0001679000000000, 0.0020797400000000 ] - [ 0.0009518900000000, -0.0005857500000000, 0.0003297900000000 ] - [ 0.0023491700000000, -0.0009109500000000, -0.0229872000000000 ] - [ -0.0014572500000000, 0.0008903900000000, 0.0003755900000000 ] - [ -0.0001707300000000, 0.0041464000000000, -0.0000021100000000 ] - [ 0.0001554000000000, 0.0003410700000000, 0.0042842500000000 ] - [ 0.0076424600000000, -0.0055268000000000, 0.0044159700000000 ] - [ 0.0003720400000000, -0.0000208900000000, 0.0004509300000000 ] - [ -0.0026958300000000, 0.0004298900000000, -0.0001870000000000 ] - [ 0.0001222900000000, -0.0001340300000000, 0.0016450600000000 ] - [ 0.0024206700000000, -0.0005132500000000, -0.0000575900000000 ] - [ -0.0001075800000000, 0.0004049300000000, -0.0004171000000000 ] - [ -0.0004542400000000, -0.0003143100000000, -0.0056956700000000 ] - [ -0.0006234200000000, -0.0000194700000000, -0.0004548400000000 ] - [ 0.0002566200000000, 0.0003773800000000, -0.0000297700000000 ] - [ -0.0002570900000000, 0.0007894000000000, 0.0013612200000000 ] - [ -0.0017236100000000, -0.0023172700000000, -0.0042091900000000 ] - [ 0.0006530800000000, 0.0000380800000000, -0.0000006800000000 ] - [ 0.0003619100000000, -0.0003091800000000, -0.0005913500000000 ] - [ 0.0023243500000000, -0.0038216700000000, -0.0010204100000000 ] - [ 0.0024114800000000, 0.0023221600000000, -0.0040104800000000 ] - [ -0.0005399200000000, 0.0100895500000000, 0.1406999500000000 ] - [ -0.0001710400000000, 0.0003716000000000, -0.0006217600000000 ] - [ 0.0000980700000000, 0.0003858500000000, -0.0005679200000000 ] - [ -0.0000127200000000, -0.0003362400000000, 0.0002386300000000 ] - [ -0.0001866700000000, 0.0008206700000000, -0.0004353600000000 ] - [ 0.0002236100000000, -0.0001928400000000, -0.0006452500000000 ] - [ 0.0194715200000000, -0.0110139600000000, -0.0061885700000000 ] - [ -0.0134855600000000, -0.0068430500000000, 0.0006325800000000 ] - [ -0.0005199200000000, -0.0005010900000000, -0.0006076900000000 ] - [ 0.0001411800000000, 0.0005029700000000, 0.0005755200000000 ] - [ 0.0001900200000000, 0.0004665900000000, 0.0000695900000000 ] - [ 0.0003099300000000, 0.0010876700000000, 0.0020868000000000 ] - [ 0.0016704400000000, 0.0013871800000000, -0.0030876500000000 ] - [ -0.0001441800000000, -0.0003214400000000, 0.0004272600000000 ] - [ 0.0160851600000000, 0.0044499500000000, 0.0002653200000000 ] - [ -0.0001628200000000, -0.0000723200000000, -0.0072885600000000 ] - [ 0.0041787300000000, 0.0002482700000000, -0.0188896600000000 ] - [ 0.0002907200000000, -0.0028304800000000, -0.0013793900000000 ] - [ -0.0003523000000000, -0.0005897900000000, -0.0009820200000000 ] - [ -0.0007696500000000, 0.0001427100000000, 0.0186896100000000 ] - [ 0.0000596800000000, 0.0004770300000000, 0.0005022400000000 ] - [ 0.0002827300000000, 0.0001573400000000, 0.0004634100000000 ] - [ -0.0026481200000000, -0.0017548100000000, -0.0034127400000000 ] - [ -0.0186789700000000, 0.0116466000000000, -0.0065253900000000 ] - [ -0.0039200200000000, -0.0001973500000000, 0.0000463600000000 ] - [ 0.0014634000000000, -0.0000300300000000, -0.0001299900000000 ] - [ 0.0001642200000000, -0.0006555500000000, 0.0001868100000000 ] - [ -0.0074325800000000, 0.0088889500000000, -0.0181918700000000 ] - [ -0.0002439900000000, -0.0004872100000000, 0.0001320400000000 ] - [ 0.0001011600000000, -0.0000534900000000, -0.0013749000000000 ] - [ -0.0000156700000000, 0.0005953100000000, -0.0004248900000000 ] - [ -0.0001662800000000, -0.0001682900000000, -0.0004461300000000 ] - [ -0.0003637500000000, 0.0002817400000000, 0.0000298700000000 ] - [ 0.0011611800000000, 0.0002483600000000, -0.0004404200000000 ] - [ -0.0004728300000000, 0.0002337500000000, 0.0003985200000000 ] - [ -0.0006535900000000, 0.0023641800000000, -0.0013444900000000 ] - [ -0.0006207100000000, 0.0005282100000000, -0.0090216000000000 ] - [ -0.0006366200000000, -0.0002284900000000, 0.0012267900000000 ] - [ 0.0039908700000000, -0.0005478100000000, -0.0001241200000000 ] - [ -0.0012976000000000, 0.0009527600000000, -0.0000613500000000 ] - [ 0.0000949800000000, -0.0004617900000000, 0.0005568200000000 ] - [ -0.0005156200000000, -0.0005105100000000, 0.0003680300000000 ] - [ 0.0000346500000000, -0.0005698000000000, -0.0003017500000000 ] - [ -0.0024312100000000, 0.0031195000000000, -0.0002914000000000 ] - [ 0.0007911100000000, 0.0003145000000000, 0.0007771900000000 ] - [ 0.0073069900000000, -0.0112080700000000, -0.0203213600000000 ] - [ -0.0000332300000000, -0.0004631900000000, -0.0001062100000000 ] - [ 0.0003778800000000, -0.0008416800000000, -0.0002075000000000 ] - [ -0.0032658100000000, 0.0004873800000000, -0.0175205300000000 ] - [ -0.0002629100000000, 0.0014920300000000, -0.0001768400000000 ] - [ 0.0003400900000000, 0.0004397600000000, 0.0005332400000000 ] - [ 0.0005657300000000, -0.0003896500000000, -0.0004230000000000 ] - [ 0.0002990600000000, 0.0007557200000000, 0.0000645100000000 ] - [ -0.0001968000000000, -0.0005087800000000, -0.0013711800000000 ] - [ -0.0001218000000000, 0.0000299100000000, 0.0002063500000000 ] - [ 0.0002770300000000, 0.0004763700000000, -0.0002261900000000 ] - [ 0.0000830300000000, -0.0003717500000000, 0.0002068400000000 ] - [ 0.0001213600000000, 0.0003202700000000, -0.0002666500000000 ] - [ -0.0000156200000000, 0.0004049500000000, -0.0012866900000000 ] - [ -0.0021854700000000, 0.0001826800000000, 0.0007123200000000 ] - [ 0.0011798900000000, -0.0030030500000000, -0.0019320800000000 ] - [ 0.0002533200000000, -0.0007741400000000, -0.0011290300000000 ] - [ -0.0004243900000000, 0.0000688800000000, 0.0004179500000000 ] - [ 0.0004999800000000, -0.0004898900000000, 0.0002217500000000 ] - [ -0.0005616200000000, -0.0012437600000000, -0.0012087900000000 ] - [ 0.0008319100000000, -0.0026335700000000, 0.0013513300000000 ] - [ 0.0056815200000000, 0.0053117700000000, 0.0018035600000000 ] - [ 0.0000389000000000, 0.0003558900000000, 0.0003494000000000 ] - [ -0.0007786500000000, 0.0001598400000000, -0.0002446700000000 ] - [ -0.0001102500000000, -0.0003781300000000, 0.0011103300000000 ] - [ 0.0007767200000000, 0.0001501200000000, 0.0002620500000000 ] - [ 0.0002995000000000, -0.0001330900000000, -0.0002714700000000 ] - [ -0.0003809800000000, 0.0000009200000000, 0.0000111500000000 ] - [ -0.0003251000000000, -0.0001916000000000, -0.0002113600000000 ] - [ 0.0001763400000000, -0.0003873800000000, -0.0002727700000000 ] - [ -0.0001355700000000, 0.0001596800000000, 0.0002737800000000 ] - [ -0.0056676400000000, -0.0035880600000000, 0.0022950500000000 ] - [ 0.0000269300000000, 0.0000868500000000, 0.0018960500000000 ] - [ -0.0002020600000000, -0.0000470900000000, -0.0004043500000000 ] - [ -0.0002116400000000, -0.0003809600000000, 0.0004147800000000 ] - [ 0.0014405300000000, -0.0006392400000000, 0.0000865700000000 ] - [ -0.0043937700000000, 0.0005344700000000, -0.0008166200000000 ] - [ -0.0006203600000000, 0.0020742600000000, 0.0008322300000000 ] - [ 0.0002832700000000, 0.0002370400000000, 0.0000990400000000 ] - [ -0.0002376700000000, -0.0014590300000000, 0.0001159600000000 ] - [ -0.0002072500000000, -0.0004241100000000, -0.0004201300000000 ] - [ -0.0003328500000000, 0.0010950000000000, -0.0008018300000000 ] - [ -0.0003341100000000, -0.0001523700000000, -0.0011280900000000 ] - [ -0.0002490300000000, -0.0010659600000000, -0.0000934400000000 ] - [ 0.0006136100000000, 0.0006479400000000, -0.0007614800000000 ] - [ -0.0008889600000000, 0.0006332300000000, 0.0008835300000000 ] - [ 0.0002730500000000, 0.0001550000000000, -0.0004700800000000 ] - [ 0.0000171500000000, 0.0004068200000000, -0.0003931700000000 ] - [ -0.0000718200000000, 0.0003903000000000, 0.0002641400000000 ] - [ -0.0009994100000000, -0.0002453600000000, 0.0001715300000000 ] - [ 0.0046432400000000, 0.0005174400000000, -0.0007525400000000 ] - [ 0.0002464300000000, -0.0013266400000000, 0.0012455100000000 ] - [ -0.0005009100000000, -0.0011712500000000, 0.0009316900000000 ] - [ -0.0000673400000000, -0.0005004200000000, -0.0007606500000000 ] - [ 0.0000160100000000, 0.0000090100000000, 0.0005306100000000 ] - [ 0.0002949800000000, 0.0007411600000000, 0.0010723700000000 ] - [ 0.0000778400000000, 0.0002871400000000, -0.0000184200000000 ] - [ 0.0002955300000000, -0.0002430700000000, -0.0013181700000000 ] - [ -0.0007699300000000, 0.0021497300000000, -0.0012427900000000 ] - [ 0.0002225100000000, -0.0005439800000000, 0.0000847400000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0089809000000000, 0.0004634500000000, -0.0002188200000000 ] - [ 0.0035351700000000, 0.0004893400000000, 0.0002224800000000 ] - [ 0.0119800900000000, -0.0005000000000000, -0.0003474000000000 ] - [ 0.0045665400000000, -0.0004740400000000, 0.0002303100000000 ] - [ -0.0031780800000000, 0.0004843000000000, -0.0002277700000000 ] - [ -0.0020573500000000, 0.0004858100000000, 0.0002258600000000 ] - [ -0.0022712900000000, -0.0004857400000000, -0.0002256500000000 ] - [ -0.0042840300000000, -0.0004847000000000, 0.0002281900000000 ] - [ 0.0000861700000000, -0.0003606500000000, -0.0006597400000000 ] - [ -0.0015594400000000, 0.0006483500000000, -0.0028860400000000 ] - [ 0.0000840900000000, -0.0011477200000000, -0.0005488800000000 ] - [ -0.0017567700000000, -0.0008343200000000, 0.0041551200000000 ] - [ -0.0008927100000000, 0.0006859800000000, 0.0031851300000000 ] - [ -0.0010990200000000, -0.0005032900000000, -0.0019056100000000 ] - [ -0.0001213300000000, 0.0013339500000000, -0.0007272200000000 ] - [ -0.0001144300000000, 0.0001754800000000, -0.0006210200000000 ] - [ -0.0003024100000000, -0.0003556600000000, -0.0006241900000000 ] - [ -0.0006380800000000, 0.0004581700000000, 0.0008299700000000 ] - [ -0.0023062400000000, -0.0017461600000000, -0.0006926100000000 ] - [ -0.0008371700000000, -0.0006452100000000, 0.0004489000000000 ] - [ -0.0005998900000000, 0.0006276100000000, 0.0003965900000000 ] - [ -0.0007978500000000, -0.0004415800000000, 0.0008831800000000 ] - [ -0.0025096100000000, 0.0019378900000000, -0.0005846000000000 ] - [ -0.0004998300000000, 0.0001700700000000, -0.0006556400000000 ] - [ -0.0000835900000000, -0.0001830500000000, -0.0038538200000000 ] - [ 0.0044971000000000, 0.0023811200000000, 0.0014307600000000 ] - [ -0.0016851900000000, 0.0002136000000000, 0.0042587100000000 ] - [ 0.0123139900000000, 0.0294037700000000, 0.0029652300000000 ] - [ 0.0923893100000000, -0.0124523900000000, 0.0020550200000000 ] - [ -0.0121653100000000, -0.0073243700000000, 0.0111435900000000 ] - [ 0.0095787700000000, 0.0094251300000000, -0.0091893000000000 ] - [ -0.0122001600000000, 0.0064742900000000, -0.0110810300000000 ] - [ 0.0053532100000000, 0.0011614900000000, -0.0014506700000000 ] - [ 0.0037384900000000, 0.0011473800000000, 0.0002594900000000 ] - [ -0.0141734600000000, 0.0065209100000000, 0.0094058600000000 ] - [ 0.0100470900000000, -0.0096306900000000, 0.0095279100000000 ] - [ 0.0042002900000000, -0.0005949300000000, -0.0007050200000000 ] - [ 0.0130162900000000, -0.0128061000000000, -0.0140820400000000 ] - [ 0.0134126900000000, 0.0133492600000000, 0.0144876000000000 ] - [ 0.0118548400000000, -0.0296235700000000, -0.0032058100000000 ] - [ 0.0055160700000000, 0.0004448300000000, -0.0014503400000000 ] - [ -0.0131926000000000, -0.0065598100000000, -0.0094494200000000 ] - [ 0.0048943500000000, -0.0021707000000000, -0.0010855400000000 ] - [ 0.0837129900000000, 0.0107079700000000, -0.0016978700000000 ] - [ 0.0050531000000000, -0.0010068400000000, 0.0018835300000000 ] - [ -0.0016757400000000, 0.0006059000000000, -0.0042787100000000 ] - [ 0.0049286400000000, -0.0009406600000000, 0.0010836900000000 ] - [ -0.0010689800000000, 0.0001871400000000, 0.0038550700000000 ] - [ -0.0004529200000000, 0.0001280300000000, 0.0014347700000000 ] - [ -0.0070368400000000, 0.0018918900000000, -0.0013888000000000 ] - [ -0.0007391200000000, 0.0007222100000000, -0.0016925200000000 ] - [ -0.0082953700000000, 0.0037022000000000, 0.0003968800000000 ] - [ -0.0051398600000000, 0.0004742300000000, -0.0005674700000000 ] - [ -0.0035010100000000, -0.0025359400000000, -0.0026723400000000 ] - [ -0.0045721500000000, 0.0006437300000000, 0.0012974600000000 ] - [ -0.0034992500000000, 0.0017223200000000, 0.0026795600000000 ] - [ -0.0030079200000000, 0.0002559400000000, 0.0000981400000000 ] - [ -0.0050880400000000, 0.0015196100000000, -0.0005744400000000 ] - [ -0.0034405800000000, 0.0025766300000000, -0.0026775200000000 ] - [ -0.0041809600000000, -0.0008514700000000, -0.0009510900000000 ] - [ -0.0046175800000000, -0.0009421300000000, 0.0001396300000000 ] - [ -0.0049319600000000, -0.0006234900000000, 0.0013866100000000 ] - [ -0.0044592500000000, 0.0012097100000000, -0.0009575100000000 ] - [ -0.0086926600000000, -0.0039149600000000, -0.0007338400000000 ] - [ -0.0067945700000000, 0.0013257000000000, 0.0018929200000000 ] - [ -0.0024307900000000, -0.0025706800000000, 0.0026761100000000 ] - [ -0.0066406200000000, -0.0016825400000000, 0.0017251800000000 ] - [ -0.0046687100000000, -0.0010578900000000, 0.0001362200000000 ] - [ -0.0072629600000000, -0.0019042600000000, -0.0014541000000000 ] - [ -0.0007440400000000, 0.0000936700000000, 0.0016851400000000 ] - [ -0.0033992100000000, -0.0000465700000000, -0.0004440800000000 ] - [ -0.0014692200000000, -0.0001300200000000, -0.0014341500000000 ] - [ 0.0031172700000000, 0.0006676100000000, -0.0037263700000000 ] - [ -0.0059885100000000, 0.0005608600000000, -0.0000584100000000 ] - [ 0.0120936600000000, 0.0247743200000000, 0.0259854500000000 ] - [ 0.0006086600000000, -0.0025924900000000, 0.0042723200000000 ] - [ 0.0046147300000000, 0.0218132900000000, 0.0094437700000000 ] - [ -0.0010151100000000, 0.0015014900000000, -0.0017645200000000 ] - [ 0.0138778800000000, 0.0170513100000000, -0.0191698300000000 ] - [ 0.0014874200000000, 0.0003882600000000, 0.0000663600000000 ] - [ -0.2970149600000000, 0.0015568700000000, -0.0008856800000000 ] - [ 0.0252978300000000, -0.0079296500000000, 0.0019374600000000 ] - [ -0.0052792000000000, -0.0003223400000000, 0.0000010700000000 ] - [ -0.0014217900000000, -0.0029289800000000, -0.0004574600000000 ] - [ 0.0071169300000000, -0.0008471800000000, 0.0010201000000000 ] - [ 0.0019508400000000, 0.0001231500000000, 0.0009272300000000 ] - [ -0.0008353800000000, -0.0010945700000000, 0.0024458300000000 ] - [ 0.0113886100000000, -0.0245456300000000, -0.0257624100000000 ] - [ -0.0008506700000000, -0.0019761200000000, -0.0015670500000000 ] - [ -0.0009458600000000, 0.0011658200000000, -0.0015090000000000 ] - [ -0.0012050600000000, -0.0000025400000000, -0.0005609200000000 ] - [ 0.0066569400000000, 0.0004155800000000, 0.0009221300000000 ] - [ 0.0014031100000000, -0.0011714100000000, -0.0002441200000000 ] - [ -0.0009786300000000, -0.0003708900000000, -0.0013419800000000 ] - [ 0.0041538900000000, 0.0030116000000000, -0.0001262400000000 ] - [ 0.0001389700000000, 0.0022831800000000, -0.0042944400000000 ] - [ -0.0015585400000000, 0.0018451900000000, -0.0001165900000000 ] - [ 0.0026287100000000, -0.0321729200000000, 0.0118423400000000 ] - [ -0.0010101200000000, -0.0007789700000000, 0.0000491300000000 ] - [ -0.0012342900000000, 0.0009007800000000, 0.0008437600000000 ] - [ -0.0005399000000000, 0.0010907700000000, -0.0000333100000000 ] - [ 0.0064037700000000, 0.0012366900000000, -0.0012517600000000 ] - [ 0.0014573200000000, 0.0004119000000000, -0.0008282400000000 ] - [ -0.0162042500000000, -0.0003379700000000, -0.0000103100000000 ] - [ -0.0074654100000000, 0.0003233000000000, 0.0000016700000000 ] - [ -0.0010648900000000, -0.0023844900000000, 0.0015099200000000 ] - [ 0.0026389800000000, -0.0002985600000000, -0.0038196800000000 ] - [ 0.0006517800000000, -0.0024252700000000, -0.0043033900000000 ] - [ 0.0040924900000000, -0.0227504400000000, -0.0098717200000000 ] - [ 0.0132086600000000, -0.0165262000000000, 0.0192518000000000 ] - [ 0.0036921300000000, -0.0033155200000000, 0.0001280700000000 ] - [ 0.0025570800000000, 0.0010788200000000, 0.0039927600000000 ] - [ 0.0081851000000000, -0.0004130900000000, -0.0009196400000000 ] - [ -0.0024988700000000, 0.0003632500000000, 0.0013492300000000 ] - [ -0.0013774700000000, 0.0038176800000000, 0.0001877700000000 ] - [ 0.0254961300000000, 0.0087785700000000, -0.0021502200000000 ] - [ -0.0013418900000000, -0.0002820600000000, 0.0012112200000000 ] - [ -0.0117547000000000, -0.0005878000000000, 0.0000870900000000 ] - [ -0.0066923800000000, 0.0005634600000000, 0.0000720500000000 ] - [ 0.0022098300000000, -0.0004118100000000, 0.0008284100000000 ] - [ -0.0015352000000000, 0.0006896300000000, -0.0026561200000000 ] - [ -0.0241479900000000, -0.0005408500000000, -0.0000829500000000 ] - [ -0.0012451000000000, 0.0028631000000000, 0.0018870900000000 ] - [ 0.0026653500000000, -0.0005112000000000, -0.0006975100000000 ] - [ 0.0035806300000000, -0.0003520100000000, 0.0037309700000000 ] - [ 0.0027530900000000, 0.0309813600000000, -0.0114186200000000 ] - [ -0.0011562700000000, -0.0027297400000000, 0.0004337700000000 ] - [ 0.0005666900000000, 0.0016486600000000, 0.0045048400000000 ] - [ -0.0004083100000000, -0.0001281100000000, 0.0013089300000000 ] - [ 0.0035963000000000, 0.0005630100000000, -0.0000727700000000 ] - [ 0.0019814200000000, 0.0000121200000000, -0.0002734900000000 ] - [ 0.0018955500000000, -0.0006211500000000, -0.0011801500000000 ] - [ 0.0013865400000000, 0.0009541000000000, -0.0004731500000000 ] - [ 0.0010325200000000, 0.0001697800000000, 0.0002787800000000 ] - [ 0.0024210300000000, 0.0001748200000000, 0.0004185700000000 ] - [ -0.0003527000000000, -0.0004645300000000, -0.0002042800000000 ] - [ 0.0056999400000000, 0.0003239200000000, -0.0000010300000000 ] - [ 0.0015336400000000, -0.0001564600000000, -0.0000802500000000 ] - [ 0.0050780800000000, -0.0003236200000000, -0.0000002200000000 ] - [ 0.0016852200000000, -0.0005949400000000, 0.0006869000000000 ] - [ 0.0010218200000000, -0.0050007000000000, -0.0033206800000000 ] - [ -0.0010832800000000, -0.0009174000000000, -0.0004481400000000 ] - [ 0.0016300000000000, 0.0000901600000000, -0.0005357200000000 ] - [ 0.0012320100000000, -0.0000128600000000, 0.0002731400000000 ] - [ 0.0011546000000000, -0.0004581000000000, 0.0006280400000000 ] - [ 0.0011402100000000, 0.0007326900000000, -0.0000439200000000 ] - [ 0.0009150900000000, 0.0000383500000000, 0.0002431900000000 ] - [ -0.0008829100000000, 0.0034138700000000, -0.0018980300000000 ] - [ -0.0004449000000000, -0.0003138000000000, 0.0000217100000000 ] - [ 0.0022098500000000, 0.0001949100000000, 0.0003003800000000 ] - [ 0.0030197900000000, 0.0043370700000000, 0.0005482800000000 ] - [ 0.0014390500000000, 0.0003071800000000, 0.0011693600000000 ] - [ 0.0014953000000000, 0.0003734900000000, 0.0009676200000000 ] - [ 0.0013786000000000, -0.0016983600000000, -0.0000811900000000 ] - [ 0.0007065700000000, 0.0003785700000000, 0.0000183800000000 ] - [ 0.0008605300000000, 0.0008411500000000, 0.0000100600000000 ] - [ 0.0011647500000000, -0.0000622700000000, -0.0000079400000000 ] - [ 0.0003115000000000, 0.0053725400000000, 0.0030816900000000 ] - [ -0.0008432800000000, -0.0005270600000000, 0.0007975100000000 ] - [ 0.0052758100000000, -0.0003241900000000, 0.0000011300000000 ] - [ 0.0071212500000000, 0.0003240900000000, 0.0000003600000000 ] - [ 0.0009782200000000, -0.0010484600000000, -0.0005322800000000 ] - [ -0.0001108200000000, 0.0006332100000000, 0.0015319600000000 ] - [ 0.0017377700000000, -0.0012235000000000, 0.0015605300000000 ] - [ 0.0009944500000000, -0.0018256200000000, 0.0001622400000000 ] - [ 0.0017066900000000, 0.0002166200000000, -0.0001951600000000 ] - [ 0.0025617600000000, -0.0046548900000000, -0.0005461500000000 ] - [ -0.0002006200000000, 0.0001463600000000, -0.0013500800000000 ] - [ 0.0006612000000000, -0.0034261600000000, 0.0018960400000000 ] - [ 0.0006627000000000, -0.0001949900000000, -0.0003005500000000 ] - [ 0.0017371800000000, 0.0014720100000000, -0.0009375700000000 ] - [ 0.0014486100000000, 0.0009394200000000, -0.0001052600000000 ] - [ 0.0007486600000000, 0.0001422800000000, -0.0002630200000000 ] - [ 0.0047454100000000, -0.0005629900000000, 0.0000728200000000 ] - [ 0.0066173000000000, 0.0005632400000000, 0.0000734300000000 ] - [ -0.0001014400000000, 0.0005305200000000, -0.0007991800000000 ] - [ 0.0009146100000000, -0.0004827300000000, 0.0003131300000000 ] - [ 0.0082831400000000, -0.0005632700000000, -0.0000735000000000 ] - [ 0.0007625600000000, 0.0013307600000000, -0.0003170100000000 ] - [ -0.0003729200000000, 0.0005312500000000, 0.0006805600000000 ] - [ 0.0000537400000000, 0.0004452400000000, -0.0013162400000000 ] - [ 0.0013250800000000, 0.0008215200000000, 0.0003348900000000 ] - [ 0.0018881200000000, -0.0012483600000000, -0.0006628500000000 ] - [ 0.0016509300000000, 0.0004375400000000, -0.0013730600000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0002558600000000, 0.0014539500000000 ] - [ 0.0000000000000000, 0.0005047700000000, 0.0002687700000000 ] - [ 0.0000000000000000, 0.0029490000000000, -0.0001792800000000 ] - [ 0.0000000000000000, -0.0025537900000000, 0.0002060400000000 ] - [ 0.0000000000000000, 0.0004012900000000, -0.0002522500000000 ] - [ 0.0000000000000000, 0.0005316500000000, 0.0002259000000000 ] - [ 0.0000000000000000, -0.0006038400000000, -0.0002523800000000 ] - [ 0.0000000000000000, -0.0003020100000000, 0.0002057600000000 ] - [ 0.0000188400000000, -0.0001734600000000, -0.0006205300000000 ] - [ 0.0003666500000000, 0.0001167400000000, 0.0012119600000000 ] - [ -0.0001972000000000, -0.0002503600000000, -0.0006609600000000 ] - [ -0.0003666500000000, 0.0001167400000000, 0.0012119600000000 ] - [ 0.0004389000000000, 0.0002772800000000, -0.0000067400000000 ] - [ -0.0004389000000000, 0.0002772800000000, -0.0000067400000000 ] - [ 0.0001972000000000, -0.0002503600000000, -0.0006609600000000 ] - [ -0.0000188400000000, -0.0001734600000000, -0.0006205300000000 ] - [ 0.0001015100000000, -0.0000246400000000, -0.0006377100000000 ] - [ 0.0001339900000000, -0.0002089100000000, 0.0006414300000000 ] - [ -0.0001816000000000, 0.0001241000000000, -0.0006131400000000 ] - [ -0.0001339900000000, -0.0002089100000000, 0.0006414300000000 ] - [ 0.0001523400000000, -0.0000520000000000, 0.0006444500000000 ] - [ -0.0001523400000000, -0.0000520000000000, 0.0006444500000000 ] - [ 0.0001816000000000, 0.0001241000000000, -0.0006131400000000 ] - [ -0.0001015100000000, -0.0000246400000000, -0.0006377100000000 ] - [ 0.0007997200000000, 0.0003022400000000, 0.0003878100000000 ] - [ 0.0000239100000000, -0.0013882400000000, 0.0002842000000000 ] - [ 0.0003145000000000, 0.0006390900000000, -0.0001571000000000 ] - [ 0.0017989100000000, -0.0055233100000000, 0.0005614500000000 ] - [ -0.0220259700000000, 0.0189315900000000, -0.0030752100000000 ] - [ -0.0027674300000000, 0.0009391800000000, -0.0010074100000000 ] - [ 0.0007550300000000, -0.0022406300000000, 0.0023117800000000 ] - [ 0.0027674300000000, 0.0009391800000000, -0.0010074100000000 ] - [ 0.0003854300000000, 0.0009964900000000, -0.0002170000000000 ] - [ -0.0001526900000000, 0.0001641600000000, -0.0001965100000000 ] - [ 0.0010929800000000, 0.0010835100000000, 0.0006782700000000 ] - [ -0.0007550300000000, -0.0022406300000000, 0.0023117800000000 ] - [ 0.0001526900000000, 0.0001641600000000, -0.0001965100000000 ] - [ -0.0012216500000000, -0.0012726000000000, -0.0017140300000000 ] - [ 0.0012216500000000, -0.0012726000000000, -0.0017140300000000 ] - [ -0.0017989100000000, -0.0055233100000000, 0.0005614500000000 ] - [ 0.0005435200000000, -0.0020909300000000, -0.0002321300000000 ] - [ -0.0010929800000000, 0.0010835100000000, 0.0006782700000000 ] - [ -0.0000239100000000, -0.0013882400000000, 0.0002842000000000 ] - [ 0.0220259700000000, 0.0189315900000000, -0.0030752100000000 ] - [ -0.0005435200000000, -0.0020909300000000, -0.0002321300000000 ] - [ -0.0003145000000000, 0.0006390900000000, -0.0001571000000000 ] - [ -0.0003854300000000, 0.0009964900000000, -0.0002170000000000 ] - [ -0.0007997200000000, 0.0003022400000000, 0.0003878100000000 ] - [ 0.0005275900000000, -0.0001556600000000, -0.0002992800000000 ] - [ -0.0002723800000000, 0.0004925800000000, 0.0002290100000000 ] - [ -0.0000153100000000, 0.0002426500000000, 0.0002887100000000 ] - [ 0.0003821700000000, -0.0005284400000000, -0.0003003800000000 ] - [ -0.0004386300000000, -0.0007412900000000, -0.0001996200000000 ] - [ -0.0008088700000000, -0.0011918800000000, -0.0006755700000000 ] - [ 0.0000381800000000, 0.0001453200000000, 0.0000042100000000 ] - [ 0.0008088700000000, -0.0011918800000000, -0.0006755700000000 ] - [ 0.0001366300000000, -0.0001446700000000, -0.0001638400000000 ] - [ -0.0001171300000000, 0.0001102100000000, -0.0001948300000000 ] - [ 0.0001378300000000, -0.0008040700000000, 0.0007477200000000 ] - [ -0.0000381800000000, 0.0001453200000000, 0.0000042100000000 ] - [ 0.0001171300000000, 0.0001102100000000, -0.0001948300000000 ] - [ -0.0004401800000000, 0.0004515600000000, 0.0003521400000000 ] - [ 0.0004401800000000, 0.0004515600000000, 0.0003521400000000 ] - [ -0.0003821700000000, -0.0005284400000000, -0.0003003800000000 ] - [ 0.0001077200000000, 0.0001838600000000, 0.0002542300000000 ] - [ -0.0001378300000000, -0.0008040700000000, 0.0007477200000000 ] - [ 0.0002723800000000, 0.0004925800000000, 0.0002290100000000 ] - [ 0.0004386300000000, -0.0007412900000000, -0.0001996200000000 ] - [ -0.0001077200000000, 0.0001838600000000, 0.0002542300000000 ] - [ 0.0000153100000000, 0.0002426500000000, 0.0002887100000000 ] - [ -0.0001366300000000, -0.0001446700000000, -0.0001638400000000 ] - [ -0.0005275900000000, -0.0001556600000000, -0.0002992800000000 ] - [ -0.0003418000000000, -0.0002046300000000, 0.0000190400000000 ] - [ 0.0000000000000000, 0.0003604600000000, 0.0001216600000000 ] - [ 0.0060146600000000, -0.0007806300000000, 0.0024349200000000 ] - [ -0.0004293200000000, -0.0000819900000000, -0.0003938300000000 ] - [ 0.0070269500000000, 0.0043341000000000, 0.0027374900000000 ] - [ 0.0000674400000000, 0.0004920200000000, -0.0003390400000000 ] - [ 0.0079262500000000, 0.0005331500000000, -0.0036573000000000 ] - [ 0.0001373100000000, -0.0003539000000000, -0.0001389600000000 ] - [ 0.0000000000000000, -0.0459361800000000, 0.0039946000000000 ] - [ 0.0025058200000000, -0.0001959500000000, 0.0004037400000000 ] - [ 0.0000000000000000, -0.0003044100000000, -0.0001136000000000 ] - [ -0.0002660100000000, 0.0014230300000000, 0.0001460400000000 ] - [ -0.0003897200000000, 0.0001284200000000, -0.0001071100000000 ] - [ -0.0002009200000000, -0.0002714000000000, 0.0000870300000000 ] - [ 0.0004964200000000, -0.0005644300000000, 0.0003062600000000 ] - [ -0.0060146600000000, -0.0007806300000000, 0.0024349200000000 ] - [ 0.0001313500000000, 0.0011088200000000, 0.0002328900000000 ] - [ 0.0002641500000000, 0.0001281800000000, -0.0005162300000000 ] - [ 0.0000529300000000, 0.0002571100000000, 0.0004034500000000 ] - [ -0.0003406900000000, -0.0001152600000000, 0.0000670300000000 ] - [ -0.0001373100000000, -0.0003539000000000, -0.0001389600000000 ] - [ 0.0008731600000000, -0.0002881100000000, -0.0003055400000000 ] - [ 0.0005179500000000, -0.0001995600000000, 0.0001781000000000 ] - [ 0.0004293200000000, -0.0000819900000000, -0.0003938300000000 ] - [ 0.0000374400000000, 0.0006466400000000, -0.0000753700000000 ] - [ -0.0067411100000000, 0.0016906100000000, -0.0022116500000000 ] - [ -0.0002430900000000, -0.0000423000000000, -0.0000391300000000 ] - [ -0.0000529300000000, 0.0002571100000000, 0.0004034500000000 ] - [ 0.0002430900000000, -0.0000423000000000, -0.0000391300000000 ] - [ 0.0003897200000000, 0.0001284200000000, -0.0001071100000000 ] - [ -0.0002373400000000, -0.0000532500000000, -0.0000073000000000 ] - [ 0.0000000000000000, 0.0000259300000000, 0.0007460200000000 ] - [ 0.0000000000000000, 0.0006515300000000, 0.0000904500000000 ] - [ -0.0000674400000000, 0.0004920200000000, -0.0003390400000000 ] - [ 0.0001602600000000, -0.0001045300000000, -0.0000326300000000 ] - [ -0.0004768600000000, -0.0003631400000000, 0.0002966100000000 ] - [ -0.0070269500000000, 0.0043341000000000, 0.0027374900000000 ] - [ -0.0079262500000000, 0.0005331500000000, -0.0036573000000000 ] - [ -0.0005179500000000, -0.0001995600000000, 0.0001781000000000 ] - [ -0.0001602600000000, -0.0001045300000000, -0.0000326300000000 ] - [ 0.0003406900000000, -0.0001152600000000, 0.0000670300000000 ] - [ -0.0008731600000000, -0.0002881100000000, -0.0003055400000000 ] - [ 0.0002660100000000, 0.0014230300000000, 0.0001460400000000 ] - [ -0.0025058200000000, -0.0001959500000000, 0.0004037400000000 ] - [ -0.0002641500000000, 0.0001281800000000, -0.0005162300000000 ] - [ 0.0000000000000000, -0.0002556500000000, -0.0009898700000000 ] - [ 0.0000000000000000, 0.0010119100000000, 0.0000039100000000 ] - [ 0.0002373400000000, -0.0000532500000000, -0.0000073000000000 ] - [ -0.0004964200000000, -0.0005644300000000, 0.0003062600000000 ] - [ 0.0000000000000000, 0.0009836000000000, -0.0002545800000000 ] - [ -0.0001313500000000, 0.0011088200000000, 0.0002328900000000 ] - [ 0.0002009200000000, -0.0002714000000000, 0.0000870300000000 ] - [ 0.0003418000000000, -0.0002046300000000, 0.0000190400000000 ] - [ 0.0067411100000000, 0.0016906100000000, -0.0022116500000000 ] - [ -0.0000374400000000, 0.0006466400000000, -0.0000753700000000 ] - [ 0.0004768600000000, -0.0003631400000000, 0.0002966100000000 ] - [ -0.0001262800000000, 0.0005153800000000, -0.0002959100000000 ] - [ 0.0000000000000000, 0.0006022500000000, -0.0000717900000000 ] - [ 0.0006247100000000, 0.0000789800000000, -0.0000340300000000 ] - [ -0.0000440100000000, -0.0000349600000000, 0.0003062900000000 ] - [ 0.0002067800000000, -0.0001741100000000, -0.0001593700000000 ] - [ 0.0000279700000000, -0.0006789400000000, -0.0001129700000000 ] - [ 0.0006781500000000, 0.0002462800000000, 0.0001487600000000 ] - [ 0.0000241800000000, -0.0004026700000000, -0.0000883700000000 ] - [ 0.0000000000000000, 0.0003806500000000, 0.0000105700000000 ] - [ -0.0000955900000000, 0.0007692200000000, -0.0001021200000000 ] - [ 0.0000000000000000, -0.0003031800000000, -0.0000112600000000 ] - [ -0.0001108500000000, 0.0002695200000000, -0.0002303700000000 ] - [ -0.0001137300000000, 0.0017307400000000, 0.0009401900000000 ] - [ -0.0004302100000000, 0.0000831200000000, 0.0001447000000000 ] - [ 0.0004359300000000, -0.0001215600000000, -0.0001961900000000 ] - [ -0.0006247100000000, 0.0000789800000000, -0.0000340300000000 ] - [ 0.0001930000000000, 0.0002636400000000, 0.0001459600000000 ] - [ 0.0002069700000000, 0.0005741700000000, -0.0001302100000000 ] - [ 0.0000077900000000, 0.0005858500000000, 0.0001239500000000 ] - [ -0.0004097100000000, 0.0009692000000000, -0.0006889400000000 ] - [ -0.0000241800000000, -0.0004026700000000, -0.0000883700000000 ] - [ 0.0008547400000000, 0.0000499900000000, 0.0000743000000000 ] - [ 0.0013448200000000, 0.0008847500000000, -0.0000887900000000 ] - [ 0.0000440100000000, -0.0000349600000000, 0.0003062900000000 ] - [ -0.0001014700000000, -0.0006288800000000, 0.0002543900000000 ] - [ 0.0000159700000000, -0.0001653800000000, 0.0001246200000000 ] - [ -0.0002021100000000, 0.0002884800000000, 0.0000093500000000 ] - [ -0.0000077900000000, 0.0005858500000000, 0.0001239500000000 ] - [ 0.0002021100000000, 0.0002884800000000, 0.0000093500000000 ] - [ 0.0001137300000000, 0.0017307400000000, 0.0009401900000000 ] - [ -0.0004791100000000, 0.0002782300000000, -0.0000638200000000 ] - [ 0.0000000000000000, -0.0003345100000000, -0.0000376100000000 ] - [ 0.0000000000000000, 0.0002402100000000, -0.0000178600000000 ] - [ -0.0000279700000000, -0.0006789400000000, -0.0001129700000000 ] - [ -0.0000336300000000, 0.0007500900000000, 0.0004056200000000 ] - [ -0.0001853700000000, -0.0002628300000000, -0.0002627100000000 ] - [ -0.0002067800000000, -0.0001741100000000, -0.0001593700000000 ] - [ -0.0006781500000000, 0.0002462800000000, 0.0001487600000000 ] - [ -0.0013448200000000, 0.0008847500000000, -0.0000887900000000 ] - [ 0.0000336300000000, 0.0007500900000000, 0.0004056200000000 ] - [ 0.0004097100000000, 0.0009692000000000, -0.0006889400000000 ] - [ -0.0008547400000000, 0.0000499900000000, 0.0000743000000000 ] - [ 0.0001108500000000, 0.0002695200000000, -0.0002303700000000 ] - [ 0.0000955900000000, 0.0007692200000000, -0.0001021200000000 ] - [ -0.0002069700000000, 0.0005741700000000, -0.0001302100000000 ] - [ 0.0000000000000000, -0.0005670900000000, 0.0001191400000000 ] - [ 0.0000000000000000, 0.0004892200000000, 0.0000791700000000 ] - [ 0.0004791100000000, 0.0002782300000000, -0.0000638200000000 ] - [ -0.0004359300000000, -0.0001215600000000, -0.0001961900000000 ] - [ 0.0000000000000000, -0.0005174800000000, -0.0000218900000000 ] - [ -0.0001930000000000, 0.0002636400000000, 0.0001459600000000 ] - [ 0.0004302100000000, 0.0000831200000000, 0.0001447000000000 ] - [ 0.0001262800000000, 0.0005153800000000, -0.0002959100000000 ] - [ -0.0000159700000000, -0.0001653800000000, 0.0001246200000000 ] - [ 0.0001014700000000, -0.0006288800000000, 0.0002543900000000 ] - [ 0.0001853700000000, -0.0002628300000000, -0.0002627100000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0012229300000000, -0.0019142800000000 ] - [ 0.0000000000000000, 0.0004620500000000, 0.0001855900000000 ] - [ 0.0000000000000000, -0.0039011300000000, -0.0002733400000000 ] - [ 0.0000000000000000, 0.0015746300000000, 0.0002475000000000 ] - [ 0.0000000000000000, 0.0005650100000000, -0.0001993800000000 ] - [ 0.0000000000000000, 0.0004324700000000, 0.0002277700000000 ] - [ 0.0000000000000000, -0.0003600600000000, -0.0002015200000000 ] - [ 0.0000000000000000, -0.0006640500000000, 0.0002471500000000 ] - [ 0.0001792500000000, -0.0000131100000000, -0.0006574000000000 ] - [ -0.0001686700000000, -0.0003042000000000, 0.0000678400000000 ] - [ 0.0003910700000000, 0.0004377700000000, -0.0006172500000000 ] - [ 0.0001686700000000, -0.0003042000000000, 0.0000678400000000 ] - [ -0.0002425300000000, -0.0000912400000000, 0.0012869300000000 ] - [ 0.0002425300000000, -0.0000912400000000, 0.0012869300000000 ] - [ -0.0003910700000000, 0.0004377700000000, -0.0006172500000000 ] - [ -0.0001792500000000, -0.0000131100000000, -0.0006574000000000 ] - [ 0.0000973700000000, -0.0001629900000000, -0.0006404500000000 ] - [ 0.0000641600000000, 0.0000218400000000, 0.0006375700000000 ] - [ 0.0003771800000000, 0.0000567700000000, -0.0006657700000000 ] - [ -0.0000641600000000, 0.0000218400000000, 0.0006375700000000 ] - [ 0.0000471700000000, 0.0002408400000000, 0.0006334100000000 ] - [ -0.0000471700000000, 0.0002408400000000, 0.0006334100000000 ] - [ -0.0003771800000000, 0.0000567700000000, -0.0006657700000000 ] - [ -0.0000973700000000, -0.0001629900000000, -0.0006404500000000 ] - [ 0.0002295900000000, -0.0003013500000000, -0.0003899200000000 ] - [ -0.0004101600000000, 0.0016062500000000, 0.0000604200000000 ] - [ -0.0003100900000000, 0.0001778600000000, 0.0001596100000000 ] - [ -0.0014106700000000, 0.0052968100000000, -0.0009306200000000 ] - [ 0.0207593500000000, -0.0191391100000000, 0.0025804500000000 ] - [ 0.0027629200000000, -0.0017255200000000, 0.0009692100000000 ] - [ -0.0011277700000000, 0.0020228400000000, -0.0019588300000000 ] - [ -0.0027629200000000, -0.0017255200000000, 0.0009692100000000 ] - [ 0.0000006700000000, -0.0007756200000000, -0.0001311000000000 ] - [ -0.0003251800000000, 0.0003961300000000, -0.0002256000000000 ] - [ -0.0021099700000000, -0.0010573200000000, -0.0006460100000000 ] - [ 0.0011277700000000, 0.0020228400000000, -0.0019588300000000 ] - [ 0.0003251800000000, 0.0003961300000000, -0.0002256000000000 ] - [ 0.0007374400000000, 0.0018382500000000, 0.0021306000000000 ] - [ -0.0007374400000000, 0.0018382500000000, 0.0021306000000000 ] - [ 0.0014106700000000, 0.0052968100000000, -0.0009306200000000 ] - [ -0.0000643400000000, 0.0015265500000000, 0.0006585700000000 ] - [ 0.0021099700000000, -0.0010573200000000, -0.0006460100000000 ] - [ 0.0004101600000000, 0.0016062500000000, 0.0000604200000000 ] - [ -0.0207593500000000, -0.0191391100000000, 0.0025804500000000 ] - [ 0.0000643400000000, 0.0015265500000000, 0.0006585700000000 ] - [ 0.0003100900000000, 0.0001778600000000, 0.0001596100000000 ] - [ -0.0000006700000000, -0.0007756200000000, -0.0001311000000000 ] - [ -0.0002295900000000, -0.0003013500000000, -0.0003899200000000 ] - [ 0.0004925400000000, 0.0001553900000000, 0.0003005700000000 ] - [ -0.0001154400000000, -0.0002722300000000, 0.0001223000000000 ] - [ 0.0000119400000000, 0.0005725200000000, -0.0002872900000000 ] - [ 0.0000046400000000, 0.0003135900000000, -0.0000465200000000 ] - [ -0.0000385200000000, 0.0001822900000000, -0.0002250100000000 ] - [ 0.0008148100000000, 0.0003770900000000, 0.0006737300000000 ] - [ -0.0004271400000000, -0.0003715800000000, 0.0003419400000000 ] - [ -0.0008148100000000, 0.0003770900000000, 0.0006737300000000 ] - [ 0.0002525800000000, 0.0003690400000000, -0.0001829000000000 ] - [ -0.0003606200000000, 0.0004549600000000, -0.0002292900000000 ] - [ -0.0011673500000000, 0.0008043100000000, -0.0007488800000000 ] - [ 0.0004271400000000, -0.0003715800000000, 0.0003419400000000 ] - [ 0.0003606200000000, 0.0004549600000000, -0.0002292900000000 ] - [ -0.0000377200000000, 0.0001078900000000, 0.0000728500000000 ] - [ 0.0000377200000000, 0.0001078900000000, 0.0000728500000000 ] - [ -0.0000046400000000, 0.0003135900000000, -0.0000465200000000 ] - [ 0.0003713500000000, -0.0007500300000000, 0.0001653700000000 ] - [ 0.0011673500000000, 0.0008043100000000, -0.0007488800000000 ] - [ 0.0001154400000000, -0.0002722300000000, 0.0001223000000000 ] - [ 0.0000385200000000, 0.0001822900000000, -0.0002250100000000 ] - [ -0.0003713500000000, -0.0007500300000000, 0.0001653700000000 ] - [ -0.0000119400000000, 0.0005725200000000, -0.0002872900000000 ] - [ -0.0002525800000000, 0.0003690400000000, -0.0001829000000000 ] - [ -0.0004925400000000, 0.0001553900000000, 0.0003005700000000 ] - [ -0.0001148500000000, 0.0005085700000000, -0.0000364700000000 ] - [ 0.0000000000000000, 0.0007640900000000, -0.0002683200000000 ] - [ -0.0052234700000000, 0.0007559900000000, -0.0024209200000000 ] - [ 0.0008800300000000, -0.0002251300000000, 0.0003853200000000 ] - [ -0.0067315700000000, -0.0052450700000000, -0.0030928100000000 ] - [ -0.0000099500000000, -0.0013774900000000, 0.0000750400000000 ] - [ -0.0071838900000000, -0.0001789300000000, 0.0038742400000000 ] - [ -0.0000541000000000, -0.0004174400000000, -0.0000391900000000 ] - [ 0.0000000000000000, 0.0460419800000000, -0.0038390900000000 ] - [ -0.0023282200000000, 0.0009289400000000, -0.0005708000000000 ] - [ 0.0000000000000000, -0.0003399900000000, 0.0001094700000000 ] - [ 0.0002061700000000, -0.0005331400000000, -0.0004062400000000 ] - [ 0.0011004500000000, 0.0002568100000000, -0.0001143900000000 ] - [ -0.0005051200000000, -0.0001197600000000, 0.0001354600000000 ] - [ 0.0002143000000000, 0.0001705600000000, -0.0005266600000000 ] - [ 0.0052234700000000, 0.0007559900000000, -0.0024209200000000 ] - [ 0.0002589000000000, -0.0002350500000000, 0.0000795200000000 ] - [ 0.0001261400000000, 0.0007479100000000, 0.0002062800000000 ] - [ 0.0000027400000000, 0.0006312700000000, -0.0001406000000000 ] - [ -0.0012002200000000, 0.0001128500000000, -0.0000696900000000 ] - [ 0.0000541000000000, -0.0004174400000000, -0.0000391900000000 ] - [ 0.0006704000000000, 0.0002876000000000, 0.0003050900000000 ] - [ -0.0000620400000000, -0.0001094000000000, -0.0001649300000000 ] - [ -0.0008800300000000, -0.0002251300000000, 0.0003853200000000 ] - [ -0.0004235000000000, -0.0015183100000000, 0.0003815300000000 ] - [ 0.0068825800000000, -0.0025749100000000, 0.0025162900000000 ] - [ -0.0002112100000000, 0.0003467800000000, 0.0000526000000000 ] - [ -0.0000027400000000, 0.0006312700000000, -0.0001406000000000 ] - [ 0.0002112100000000, 0.0003467800000000, 0.0000526000000000 ] - [ -0.0011004500000000, 0.0002568100000000, -0.0001143900000000 ] - [ -0.0005137100000000, 0.0000502500000000, 0.0000115700000000 ] - [ 0.0000000000000000, -0.0006713300000000, -0.0007395600000000 ] - [ 0.0000000000000000, -0.0000063100000000, -0.0000876300000000 ] - [ 0.0000099500000000, -0.0013774900000000, 0.0000750400000000 ] - [ -0.0000747000000000, 0.0008764900000000, 0.0002139500000000 ] - [ 0.0005533900000000, -0.0004113800000000, -0.0001226800000000 ] - [ 0.0067315700000000, -0.0052450700000000, -0.0030928100000000 ] - [ 0.0071838900000000, -0.0001789300000000, 0.0038742400000000 ] - [ 0.0000620400000000, -0.0001094000000000, -0.0001649300000000 ] - [ 0.0000747000000000, 0.0008764900000000, 0.0002139500000000 ] - [ 0.0012002200000000, 0.0001128500000000, -0.0000696900000000 ] - [ -0.0006704000000000, 0.0002876000000000, 0.0003050900000000 ] - [ -0.0002061700000000, -0.0005331400000000, -0.0004062400000000 ] - [ 0.0023282200000000, 0.0009289400000000, -0.0005708000000000 ] - [ -0.0001261400000000, 0.0007479100000000, 0.0002062800000000 ] - [ 0.0000000000000000, -0.0008629300000000, 0.0011224200000000 ] - [ 0.0000000000000000, 0.0001140700000000, 0.0001408300000000 ] - [ 0.0005137100000000, 0.0000502500000000, 0.0000115700000000 ] - [ -0.0002143000000000, 0.0001705600000000, -0.0005266600000000 ] - [ 0.0000000000000000, -0.0021112300000000, 0.0001159300000000 ] - [ -0.0002589000000000, -0.0002350500000000, 0.0000795200000000 ] - [ 0.0005051200000000, -0.0001197600000000, 0.0001354600000000 ] - [ 0.0001148500000000, 0.0005085700000000, -0.0000364700000000 ] - [ -0.0068825800000000, -0.0025749100000000, 0.0025162900000000 ] - [ 0.0004235000000000, -0.0015183100000000, 0.0003815300000000 ] - [ -0.0005533900000000, -0.0004113800000000, -0.0001226800000000 ] - [ -0.0003269600000000, -0.0002106400000000, 0.0002844400000000 ] - [ 0.0000000000000000, 0.0005233600000000, -0.0000717200000000 ] - [ 0.0001257700000000, -0.0000794100000000, 0.0000336000000000 ] - [ 0.0005011100000000, -0.0002677700000000, -0.0003170300000000 ] - [ 0.0001838000000000, -0.0007004500000000, -0.0001520900000000 ] - [ 0.0000271300000000, -0.0002002600000000, -0.0001496900000000 ] - [ 0.0000279900000000, 0.0001433700000000, 0.0000760700000000 ] - [ 0.0000573700000000, -0.0003678600000000, -0.0000938000000000 ] - [ 0.0000000000000000, 0.0002627800000000, -0.0000143600000000 ] - [ 0.0001802600000000, 0.0000019000000000, -0.0000769800000000 ] - [ 0.0000000000000000, -0.0003410400000000, 0.0000078200000000 ] - [ 0.0000549300000000, 0.0006174600000000, -0.0000344800000000 ] - [ 0.0008253100000000, -0.0013401300000000, -0.0011651600000000 ] - [ -0.0002807700000000, -0.0004738500000000, 0.0000789600000000 ] - [ 0.0002714400000000, -0.0002680400000000, -0.0000286700000000 ] - [ -0.0001257700000000, -0.0000794100000000, 0.0000336000000000 ] - [ 0.0001982400000000, 0.0006105600000000, 0.0001640700000000 ] - [ 0.0001838900000000, 0.0002955900000000, -0.0001828400000000 ] - [ 0.0000477900000000, 0.0002970700000000, 0.0001407000000000 ] - [ -0.0011322700000000, -0.0009682600000000, 0.0006906300000000 ] - [ -0.0000573700000000, -0.0003678600000000, -0.0000938000000000 ] - [ 0.0006781900000000, -0.0000498000000000, -0.0000743500000000 ] - [ -0.0008949000000000, -0.0011889700000000, 0.0001031800000000 ] - [ -0.0005011100000000, -0.0002677700000000, -0.0003170300000000 ] - [ -0.0002883000000000, -0.0002370300000000, 0.0000602800000000 ] - [ 0.0000396200000000, -0.0007214800000000, 0.0001386900000000 ] - [ -0.0002539400000000, 0.0000144700000000, 0.0000003600000000 ] - [ -0.0000477900000000, 0.0002970700000000, 0.0001407000000000 ] - [ 0.0002539400000000, 0.0000144700000000, 0.0000003600000000 ] - [ -0.0008253100000000, -0.0013401300000000, -0.0011651600000000 ] - [ -0.0002742600000000, -0.0002782500000000, 0.0000638100000000 ] - [ 0.0000000000000000, -0.0003087300000000, 0.0000408400000000 ] - [ 0.0000000000000000, 0.0004044800000000, 0.0000214400000000 ] - [ -0.0000271300000000, -0.0002002600000000, -0.0001496900000000 ] - [ 0.0001143800000000, 0.0000212100000000, -0.0002242800000000 ] - [ 0.0002702500000000, -0.0005080800000000, 0.0004426300000000 ] - [ -0.0001838000000000, -0.0007004500000000, -0.0001520900000000 ] - [ -0.0000279900000000, 0.0001433700000000, 0.0000760700000000 ] - [ 0.0008949000000000, -0.0011889700000000, 0.0001031800000000 ] - [ -0.0001143800000000, 0.0000212100000000, -0.0002242800000000 ] - [ 0.0011322700000000, -0.0009682600000000, 0.0006906300000000 ] - [ -0.0006781900000000, -0.0000498000000000, -0.0000743500000000 ] - [ -0.0000549300000000, 0.0006174600000000, -0.0000344800000000 ] - [ -0.0001802600000000, 0.0000019000000000, -0.0000769800000000 ] - [ -0.0001838900000000, 0.0002955900000000, -0.0001828400000000 ] - [ 0.0000000000000000, -0.0005579800000000, 0.0000243900000000 ] - [ 0.0000000000000000, 0.0006362100000000, 0.0000641400000000 ] - [ 0.0002742600000000, -0.0002782500000000, 0.0000638100000000 ] - [ -0.0002714400000000, -0.0002680400000000, -0.0000286700000000 ] - [ 0.0000000000000000, -0.0006074000000000, -0.0001221500000000 ] - [ -0.0001982400000000, 0.0006105600000000, 0.0001640700000000 ] - [ 0.0002807700000000, -0.0004738500000000, 0.0000789600000000 ] - [ 0.0003269600000000, -0.0002106400000000, 0.0002844400000000 ] - [ -0.0000396200000000, -0.0007214800000000, 0.0001386900000000 ] - [ 0.0002883000000000, -0.0002370300000000, 0.0000602800000000 ] - [ -0.0002702500000000, -0.0005080800000000, 0.0004426300000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0024963000000000, -0.0018986200000000 ] - [ 0.0000000000000000, 0.0007018800000000, -0.0009184300000000 ] - [ 0.0000000000000000, 0.0000955000000000, -0.0024935500000000 ] - [ 0.0000000000000000, -0.0004733700000000, 0.0009861000000000 ] - [ 0.0000000000000000, 0.0003249500000000, -0.0003420600000000 ] - [ 0.0000000000000000, 0.0005113400000000, 0.0000771200000000 ] - [ 0.0000000000000000, -0.0005154800000000, -0.0001919600000000 ] - [ 0.0000000000000000, -0.0004353100000000, 0.0004979200000000 ] - [ 0.0001166100000000, -0.0000842100000000, -0.0008841300000000 ] - [ -0.0002005400000000, 0.0000615300000000, 0.0001124500000000 ] - [ 0.0001335500000000, 0.0000414900000000, -0.0002898700000000 ] - [ 0.0002005400000000, 0.0000615300000000, 0.0001124500000000 ] - [ 0.0005299200000000, -0.0000348800000000, 0.0004364000000000 ] - [ -0.0005299200000000, -0.0000348800000000, 0.0004364000000000 ] - [ -0.0001335500000000, 0.0000414900000000, -0.0002898700000000 ] - [ -0.0001166100000000, -0.0000842100000000, -0.0008841300000000 ] - [ 0.0000373700000000, -0.0000957100000000, -0.0007277300000000 ] - [ 0.0001841700000000, -0.0001929600000000, 0.0006303400000000 ] - [ 0.0001984900000000, 0.0003441100000000, -0.0004742500000000 ] - [ -0.0001841700000000, -0.0001929600000000, 0.0006303400000000 ] - [ -0.0000259500000000, 0.0001713300000000, 0.0006593400000000 ] - [ 0.0000259500000000, 0.0001713300000000, 0.0006593400000000 ] - [ -0.0001984900000000, 0.0003441100000000, -0.0004742500000000 ] - [ -0.0000373700000000, -0.0000957100000000, -0.0007277300000000 ] - [ -0.0004848600000000, -0.0001138000000000, -0.0008751000000000 ] - [ 0.0001119600000000, -0.0007787400000000, -0.0000708700000000 ] - [ 0.0002414100000000, 0.0006271600000000, -0.0013789900000000 ] - [ 0.0003684600000000, -0.0004180600000000, 0.0054421300000000 ] - [ 0.0133367600000000, -0.0019363000000000, 0.0161985100000000 ] - [ 0.0033701400000000, -0.0016396200000000, 0.0027631500000000 ] - [ -0.0015237200000000, 0.0026464400000000, -0.0012984300000000 ] - [ -0.0033701400000000, -0.0016396200000000, 0.0027631500000000 ] - [ 0.0010847500000000, 0.0006290200000000, -0.0021279300000000 ] - [ -0.0000575200000000, -0.0005727300000000, -0.0013857500000000 ] - [ 0.0021318100000000, -0.0008037100000000, -0.0002338400000000 ] - [ 0.0015237200000000, 0.0026464400000000, -0.0012984300000000 ] - [ 0.0000575200000000, -0.0005727300000000, -0.0013857500000000 ] - [ -0.0010454800000000, -0.0025436000000000, -0.0023934400000000 ] - [ 0.0010454800000000, -0.0025436000000000, -0.0023934400000000 ] - [ -0.0003684600000000, -0.0004180600000000, 0.0054421300000000 ] - [ -0.0000923100000000, 0.0004421700000000, 0.0002269100000000 ] - [ -0.0021318100000000, -0.0008037100000000, -0.0002338400000000 ] - [ -0.0001119600000000, -0.0007787400000000, -0.0000708700000000 ] - [ -0.0133367600000000, -0.0019363000000000, 0.0161985100000000 ] - [ 0.0000923100000000, 0.0004421700000000, 0.0002269100000000 ] - [ -0.0002414100000000, 0.0006271600000000, -0.0013789900000000 ] - [ -0.0010847500000000, 0.0006290200000000, -0.0021279300000000 ] - [ 0.0004848600000000, -0.0001138000000000, -0.0008751000000000 ] - [ 0.0008451000000000, -0.0000746500000000, -0.0002409800000000 ] - [ -0.0003990700000000, 0.0003565800000000, -0.0001485100000000 ] - [ -0.0000158800000000, 0.0003445000000000, -0.0004888800000000 ] - [ 0.0002229600000000, -0.0002053100000000, 0.0004207500000000 ] - [ -0.0002687400000000, -0.0003576200000000, -0.0000261200000000 ] - [ -0.0003531900000000, -0.0004562000000000, 0.0004397300000000 ] - [ -0.0000776500000000, -0.0001091500000000, 0.0002654200000000 ] - [ 0.0003531900000000, -0.0004562000000000, 0.0004397300000000 ] - [ 0.0001681900000000, 0.0000918900000000, -0.0003466600000000 ] - [ -0.0003126600000000, 0.0003027200000000, -0.0005674100000000 ] - [ -0.0007053200000000, 0.0001087900000000, 0.0003022700000000 ] - [ 0.0000776500000000, -0.0001091500000000, 0.0002654200000000 ] - [ 0.0003126600000000, 0.0003027200000000, -0.0005674100000000 ] - [ -0.0002238900000000, 0.0005258900000000, 0.0001472700000000 ] - [ 0.0002238900000000, 0.0005258900000000, 0.0001472700000000 ] - [ -0.0002229600000000, -0.0002053100000000, 0.0004207500000000 ] - [ 0.0004499000000000, -0.0004281600000000, 0.0002432600000000 ] - [ 0.0007053200000000, 0.0001087900000000, 0.0003022700000000 ] - [ 0.0003990700000000, 0.0003565800000000, -0.0001485100000000 ] - [ 0.0002687400000000, -0.0003576200000000, -0.0000261200000000 ] - [ -0.0004499000000000, -0.0004281600000000, 0.0002432600000000 ] - [ 0.0000158800000000, 0.0003445000000000, -0.0004888800000000 ] - [ -0.0001681900000000, 0.0000918900000000, -0.0003466600000000 ] - [ -0.0008451000000000, -0.0000746500000000, -0.0002409800000000 ] - [ -0.0005096600000000, 0.0001361800000000, 0.0004442100000000 ] - [ 0.0000000000000000, 0.0003419000000000, 0.0015686400000000 ] - [ 0.0071708300000000, 0.0036524600000000, 0.0026048700000000 ] - [ 0.0012090100000000, -0.0001314500000000, 0.0003255900000000 ] - [ 0.0068806400000000, 0.0056908400000000, -0.0018890200000000 ] - [ -0.0000512500000000, -0.0010980900000000, 0.0003096700000000 ] - [ -0.0091150700000000, -0.0033355900000000, 0.0015038200000000 ] - [ -0.0000254300000000, -0.0004141600000000, 0.0005271200000000 ] - [ 0.0000000000000000, 0.0041894300000000, -0.0406754200000000 ] - [ -0.0034983100000000, 0.0017919100000000, -0.0007697100000000 ] - [ 0.0000000000000000, -0.0002134900000000, 0.0003541800000000 ] - [ -0.0000821200000000, 0.0013158600000000, -0.0003470200000000 ] - [ 0.0011398500000000, 0.0000328900000000, -0.0004649200000000 ] - [ -0.0002612600000000, -0.0000859200000000, 0.0004042800000000 ] - [ 0.0004372100000000, -0.0008469900000000, 0.0009821200000000 ] - [ -0.0071708300000000, 0.0036524600000000, 0.0026048700000000 ] - [ 0.0001521700000000, 0.0011020200000000, 0.0006989700000000 ] - [ 0.0001417100000000, 0.0005870300000000, 0.0007805500000000 ] - [ -0.0010176400000000, 0.0011354400000000, 0.0017991200000000 ] - [ 0.0002539100000000, 0.0002276200000000, -0.0000172000000000 ] - [ 0.0000254300000000, -0.0004141600000000, 0.0005271200000000 ] - [ -0.0001723400000000, -0.0001672400000000, 0.0007401400000000 ] - [ 0.0002673400000000, 0.0000226300000000, -0.0009703100000000 ] - [ -0.0012090100000000, -0.0001314500000000, 0.0003255900000000 ] - [ -0.0003171600000000, -0.0012407500000000, -0.0001994700000000 ] - [ 0.0055087400000000, -0.0069641100000000, -0.0010657500000000 ] - [ -0.0004685900000000, 0.0000251900000000, 0.0006200600000000 ] - [ 0.0010176400000000, 0.0011354400000000, 0.0017991200000000 ] - [ 0.0004685900000000, 0.0000251900000000, 0.0006200600000000 ] - [ -0.0011398500000000, 0.0000328900000000, -0.0004649200000000 ] - [ -0.0006300500000000, -0.0000780300000000, 0.0001686100000000 ] - [ 0.0000000000000000, 0.0004190200000000, 0.0007682200000000 ] - [ 0.0000000000000000, 0.0002348400000000, -0.0000519900000000 ] - [ 0.0000512500000000, -0.0010980900000000, 0.0003096700000000 ] - [ -0.0002782600000000, 0.0004467800000000, 0.0000528500000000 ] - [ -0.0005781100000000, -0.0002440800000000, 0.0009048700000000 ] - [ -0.0068806400000000, 0.0056908400000000, -0.0018890200000000 ] - [ 0.0091150700000000, -0.0033355900000000, 0.0015038200000000 ] - [ -0.0002673400000000, 0.0000226300000000, -0.0009703100000000 ] - [ 0.0002782600000000, 0.0004467800000000, 0.0000528500000000 ] - [ -0.0002539100000000, 0.0002276200000000, -0.0000172000000000 ] - [ 0.0001723400000000, -0.0001672400000000, 0.0007401400000000 ] - [ 0.0000821200000000, 0.0013158600000000, -0.0003470200000000 ] - [ 0.0034983100000000, 0.0017919100000000, -0.0007697100000000 ] - [ -0.0001417100000000, 0.0005870300000000, 0.0007805500000000 ] - [ 0.0000000000000000, -0.0023367800000000, 0.0007168400000000 ] - [ 0.0000000000000000, 0.0005357700000000, 0.0000750200000000 ] - [ 0.0006300500000000, -0.0000780300000000, 0.0001686100000000 ] - [ -0.0004372100000000, -0.0008469900000000, 0.0009821200000000 ] - [ 0.0000000000000000, -0.0007418600000000, -0.0005270200000000 ] - [ -0.0001521700000000, 0.0011020200000000, 0.0006989700000000 ] - [ 0.0002612600000000, -0.0000859200000000, 0.0004042800000000 ] - [ 0.0005096600000000, 0.0001361800000000, 0.0004442100000000 ] - [ -0.0055087400000000, -0.0069641100000000, -0.0010657500000000 ] - [ 0.0003171600000000, -0.0012407500000000, -0.0001994700000000 ] - [ 0.0005781100000000, -0.0002440800000000, 0.0009048700000000 ] - [ -0.0000895900000000, 0.0003681600000000, 0.0000361200000000 ] - [ 0.0000000000000000, 0.0005601200000000, -0.0000356300000000 ] - [ 0.0003748500000000, -0.0000790000000000, -0.0000987100000000 ] - [ 0.0000340500000000, -0.0000176500000000, -0.0000148500000000 ] - [ 0.0001699200000000, -0.0003615600000000, -0.0002860800000000 ] - [ 0.0000759700000000, -0.0003695700000000, -0.0001001100000000 ] - [ 0.0004566800000000, 0.0002687800000000, -0.0000062200000000 ] - [ 0.0002197400000000, -0.0002542600000000, 0.0001710700000000 ] - [ 0.0000000000000000, 0.0003359900000000, -0.0000398600000000 ] - [ 0.0000065300000000, 0.0004159700000000, -0.0003307300000000 ] - [ 0.0000000000000000, -0.0003142100000000, 0.0000823400000000 ] - [ 0.0000550100000000, 0.0002669500000000, -0.0000706700000000 ] - [ 0.0002583700000000, -0.0000335400000000, -0.0005302200000000 ] - [ -0.0004203300000000, 0.0002329700000000, 0.0006310700000000 ] - [ 0.0003636800000000, -0.0002839200000000, 0.0000189600000000 ] - [ -0.0003748500000000, -0.0000790000000000, -0.0000987100000000 ] - [ 0.0001999700000000, 0.0002788600000000, 0.0002877200000000 ] - [ 0.0002060900000000, 0.0004815200000000, -0.0000233200000000 ] - [ 0.0000682600000000, 0.0004351100000000, 0.0002132500000000 ] - [ -0.0008583800000000, 0.0000063400000000, -0.0003787700000000 ] - [ -0.0002197400000000, -0.0002542600000000, 0.0001710700000000 ] - [ 0.0009110900000000, 0.0000388400000000, 0.0000595600000000 ] - [ 0.0003408200000000, -0.0003305300000000, -0.0006465700000000 ] - [ -0.0000340500000000, -0.0000176500000000, -0.0000148500000000 ] - [ -0.0001882300000000, -0.0004515300000000, -0.0000060800000000 ] - [ 0.0000145800000000, -0.0003428100000000, 0.0000053600000000 ] - [ -0.0001820600000000, 0.0001810300000000, 0.0002011300000000 ] - [ -0.0000682600000000, 0.0004351100000000, 0.0002132500000000 ] - [ 0.0001820600000000, 0.0001810300000000, 0.0002011300000000 ] - [ -0.0002583700000000, -0.0000335400000000, -0.0005302200000000 ] - [ -0.0001562300000000, -0.0000886700000000, 0.0001977900000000 ] - [ 0.0000000000000000, -0.0003626900000000, 0.0000276300000000 ] - [ 0.0000000000000000, 0.0003438800000000, -0.0000171400000000 ] - [ -0.0000759700000000, -0.0003695700000000, -0.0001001100000000 ] - [ 0.0002526900000000, 0.0002114900000000, 0.0000094700000000 ] - [ 0.0001212600000000, -0.0005707600000000, 0.0002209800000000 ] - [ -0.0001699200000000, -0.0003615600000000, -0.0002860800000000 ] - [ -0.0004566800000000, 0.0002687800000000, -0.0000062200000000 ] - [ -0.0003408200000000, -0.0003305300000000, -0.0006465700000000 ] - [ -0.0002526900000000, 0.0002114900000000, 0.0000094700000000 ] - [ 0.0008583800000000, 0.0000063400000000, -0.0003787700000000 ] - [ -0.0009110900000000, 0.0000388400000000, 0.0000595600000000 ] - [ -0.0000550100000000, 0.0002669500000000, -0.0000706700000000 ] - [ -0.0000065300000000, 0.0004159700000000, -0.0003307300000000 ] - [ -0.0002060900000000, 0.0004815200000000, -0.0000233200000000 ] - [ 0.0000000000000000, -0.0005387600000000, 0.0000751300000000 ] - [ 0.0000000000000000, 0.0005409500000000, 0.0001320100000000 ] - [ 0.0001562300000000, -0.0000886700000000, 0.0001977900000000 ] - [ -0.0003636800000000, -0.0002839200000000, 0.0000189600000000 ] - [ 0.0000000000000000, -0.0005216500000000, -0.0002347700000000 ] - [ -0.0001999700000000, 0.0002788600000000, 0.0002877200000000 ] - [ 0.0004203300000000, 0.0002329700000000, 0.0006310700000000 ] - [ 0.0000895900000000, 0.0003681600000000, 0.0000361200000000 ] - [ -0.0000145800000000, -0.0003428100000000, 0.0000053600000000 ] - [ 0.0001882300000000, -0.0004515300000000, -0.0000060800000000 ] - [ -0.0001212600000000, -0.0005707600000000, 0.0002209800000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0015182600000000, 0.0014531900000000 ] - [ 0.0000000000000000, 0.0002615200000000, 0.0013764200000000 ] - [ 0.0000000000000000, -0.0011468200000000, 0.0017255500000000 ] - [ 0.0000000000000000, -0.0004983300000000, -0.0005349500000000 ] - [ 0.0000000000000000, 0.0006441800000000, -0.0001082900000000 ] - [ 0.0000000000000000, 0.0004556500000000, 0.0003764900000000 ] - [ 0.0000000000000000, -0.0004520400000000, -0.0002619400000000 ] - [ 0.0000000000000000, -0.0005340000000000, -0.0000459700000000 ] - [ 0.0000802800000000, -0.0001018400000000, -0.0003937500000000 ] - [ 0.0003991700000000, -0.0002478100000000, 0.0011743600000000 ] - [ 0.0000625700000000, 0.0001453100000000, -0.0009890400000000 ] - [ -0.0003991700000000, -0.0002478100000000, 0.0011743600000000 ] - [ -0.0003367500000000, 0.0002213100000000, 0.0008380900000000 ] - [ 0.0003367500000000, 0.0002213100000000, 0.0008380900000000 ] - [ -0.0000625700000000, 0.0001453100000000, -0.0009890400000000 ] - [ -0.0000802800000000, -0.0001018400000000, -0.0003937500000000 ] - [ 0.0001624000000000, -0.0000905400000000, -0.0005503300000000 ] - [ 0.0000127600000000, 0.0000070400000000, 0.0006491100000000 ] - [ -0.0000047400000000, -0.0001652500000000, -0.0008046200000000 ] - [ -0.0000127600000000, 0.0000070400000000, 0.0006491100000000 ] - [ 0.0002248200000000, 0.0000155100000000, 0.0006191600000000 ] - [ -0.0002248200000000, 0.0000155100000000, 0.0006191600000000 ] - [ 0.0000047400000000, -0.0001652500000000, -0.0008046200000000 ] - [ -0.0001624000000000, -0.0000905400000000, -0.0005503300000000 ] - [ 0.0015217800000000, 0.0001136300000000, 0.0008703000000000 ] - [ -0.0005049600000000, 0.0009981700000000, 0.0004199000000000 ] - [ -0.0002329900000000, 0.0001890500000000, 0.0013886400000000 ] - [ 0.0000324300000000, 0.0001838300000000, -0.0058088200000000 ] - [ -0.0145963100000000, 0.0014560000000000, -0.0168861300000000 ] - [ -0.0033754500000000, 0.0008570800000000, -0.0028124800000000 ] - [ 0.0011504900000000, -0.0028768300000000, 0.0016383900000000 ] - [ 0.0033754500000000, 0.0008570800000000, -0.0028124800000000 ] - [ -0.0007123300000000, -0.0004167500000000, 0.0017990100000000 ] - [ -0.0004251700000000, 0.0011536200000000, 0.0009770600000000 ] - [ -0.0031506300000000, 0.0008345100000000, 0.0002707800000000 ] - [ -0.0011504900000000, -0.0028768300000000, 0.0016383900000000 ] - [ 0.0004251700000000, 0.0011536200000000, 0.0009770600000000 ] - [ 0.0005673000000000, 0.0031074200000000, 0.0028202800000000 ] - [ -0.0005673000000000, 0.0031074200000000, 0.0028202800000000 ] - [ -0.0000324300000000, 0.0001838300000000, -0.0058088200000000 ] - [ 0.0005701700000000, -0.0010071900000000, 0.0001879900000000 ] - [ 0.0031506300000000, 0.0008345100000000, 0.0002707800000000 ] - [ 0.0005049600000000, 0.0009981700000000, 0.0004199000000000 ] - [ 0.0145963100000000, 0.0014560000000000, -0.0168861300000000 ] - [ -0.0005701700000000, -0.0010071900000000, 0.0001879900000000 ] - [ 0.0002329900000000, 0.0001890500000000, 0.0013886400000000 ] - [ 0.0007123300000000, -0.0004167500000000, 0.0017990100000000 ] - [ -0.0015217800000000, 0.0001136300000000, 0.0008703000000000 ] - [ 0.0001688900000000, 0.0000748300000000, 0.0002394700000000 ] - [ 0.0000068100000000, -0.0001382500000000, 0.0004996800000000 ] - [ 0.0000107300000000, 0.0004713800000000, 0.0004956500000000 ] - [ 0.0001698200000000, -0.0000077300000000, -0.0007663400000000 ] - [ -0.0002076900000000, -0.0002030500000000, -0.0003944200000000 ] - [ 0.0003575400000000, -0.0003613500000000, -0.0004450200000000 ] - [ -0.0003176900000000, -0.0001162000000000, 0.0000770200000000 ] - [ -0.0003575400000000, -0.0003613500000000, -0.0004450200000000 ] - [ 0.0002277700000000, 0.0001299300000000, 0.0000026400000000 ] - [ -0.0001630700000000, 0.0002614200000000, 0.0001485600000000 ] - [ -0.0003172700000000, -0.0001116500000000, -0.0003013600000000 ] - [ 0.0003176900000000, -0.0001162000000000, 0.0000770200000000 ] - [ 0.0001630700000000, 0.0002614200000000, 0.0001485600000000 ] - [ -0.0002535700000000, 0.0000339300000000, 0.0002754100000000 ] - [ 0.0002535700000000, 0.0000339300000000, 0.0002754100000000 ] - [ -0.0001698200000000, -0.0000077300000000, -0.0007663400000000 ] - [ 0.0000269200000000, -0.0001364600000000, 0.0001698700000000 ] - [ 0.0003172700000000, -0.0001116500000000, -0.0003013600000000 ] - [ -0.0000068100000000, -0.0001382500000000, 0.0004996800000000 ] - [ 0.0002076900000000, -0.0002030500000000, -0.0003944200000000 ] - [ -0.0000269200000000, -0.0001364600000000, 0.0001698700000000 ] - [ -0.0000107300000000, 0.0004713800000000, 0.0004956500000000 ] - [ -0.0002277700000000, 0.0001299300000000, 0.0000026400000000 ] - [ -0.0001688900000000, 0.0000748300000000, 0.0002394700000000 ] - [ 0.0000521800000000, 0.0001721700000000, -0.0004634600000000 ] - [ 0.0000000000000000, 0.0007881700000000, -0.0017461500000000 ] - [ -0.0063575100000000, -0.0036421000000000, -0.0026202900000000 ] - [ -0.0007593700000000, -0.0001820100000000, -0.0003309200000000 ] - [ -0.0065384700000000, -0.0065978500000000, 0.0016180900000000 ] - [ 0.0001087800000000, 0.0002169200000000, -0.0005676500000000 ] - [ 0.0098912500000000, 0.0037447100000000, -0.0012438300000000 ] - [ 0.0001105800000000, -0.0003619100000000, -0.0007107200000000 ] - [ 0.0000000000000000, -0.0036459700000000, 0.0414926600000000 ] - [ 0.0036887800000000, -0.0010518400000000, 0.0006106400000000 ] - [ 0.0000000000000000, -0.0004353500000000, -0.0003607300000000 ] - [ 0.0000254700000000, -0.0004314300000000, 0.0000865800000000 ] - [ -0.0004267800000000, 0.0003545100000000, 0.0002460600000000 ] - [ -0.0004470500000000, -0.0003073100000000, -0.0001832900000000 ] - [ 0.0002806900000000, 0.0004603400000000, -0.0012109000000000 ] - [ 0.0063575100000000, -0.0036421000000000, -0.0026202900000000 ] - [ 0.0002386200000000, -0.0002264800000000, -0.0003912100000000 ] - [ 0.0002476000000000, 0.0002853500000000, -0.0010951000000000 ] - [ 0.0010928000000000, -0.0002635100000000, -0.0015610200000000 ] - [ -0.0017988300000000, -0.0002290000000000, 0.0000142100000000 ] - [ -0.0001105800000000, -0.0003619100000000, -0.0007107200000000 ] - [ 0.0017307200000000, 0.0001740800000000, -0.0007426500000000 ] - [ 0.0001908300000000, -0.0003378800000000, 0.0009839100000000 ] - [ 0.0007593700000000, -0.0001820100000000, -0.0003309200000000 ] - [ -0.0000718500000000, 0.0003683000000000, 0.0005115800000000 ] - [ -0.0054147000000000, 0.0060876100000000, 0.0012959800000000 ] - [ 0.0000171200000000, 0.0002872100000000, -0.0006108900000000 ] - [ -0.0010928000000000, -0.0002635100000000, -0.0015610200000000 ] - [ -0.0000171200000000, 0.0002872100000000, -0.0006108900000000 ] - [ 0.0004267800000000, 0.0003545100000000, 0.0002460600000000 ] - [ -0.0001171200000000, 0.0000755400000000, -0.0001648000000000 ] - [ 0.0000000000000000, -0.0010654400000000, -0.0007694200000000 ] - [ 0.0000000000000000, 0.0004113700000000, 0.0000566000000000 ] - [ -0.0001087800000000, 0.0002169200000000, -0.0005676500000000 ] - [ 0.0003641800000000, 0.0003294200000000, 0.0001373200000000 ] - [ 0.0006557300000000, -0.0005360200000000, -0.0007297800000000 ] - [ 0.0065384700000000, -0.0065978500000000, 0.0016180900000000 ] - [ -0.0098912500000000, 0.0037447100000000, -0.0012438300000000 ] - [ -0.0001908300000000, -0.0003378800000000, 0.0009839100000000 ] - [ -0.0003641800000000, 0.0003294200000000, 0.0001373200000000 ] - [ 0.0017988300000000, -0.0002290000000000, 0.0000142100000000 ] - [ -0.0017307200000000, 0.0001740800000000, -0.0007426500000000 ] - [ -0.0000254700000000, -0.0004314300000000, 0.0000865800000000 ] - [ -0.0036887800000000, -0.0010518400000000, 0.0006106400000000 ] - [ -0.0002476000000000, 0.0002853500000000, -0.0010951000000000 ] - [ 0.0000000000000000, 0.0012390700000000, -0.0005752400000000 ] - [ 0.0000000000000000, 0.0005896100000000, 0.0000686500000000 ] - [ 0.0001171200000000, 0.0000755400000000, -0.0001648000000000 ] - [ -0.0002806900000000, 0.0004603400000000, -0.0012109000000000 ] - [ 0.0000000000000000, -0.0003752100000000, 0.0003783100000000 ] - [ -0.0002386200000000, -0.0002264800000000, -0.0003912100000000 ] - [ 0.0004470500000000, -0.0003073100000000, -0.0001832900000000 ] - [ -0.0000521800000000, 0.0001721700000000, -0.0004634600000000 ] - [ 0.0054147000000000, 0.0060876100000000, 0.0012959800000000 ] - [ 0.0000718500000000, 0.0003683000000000, 0.0005115800000000 ] - [ -0.0006557300000000, -0.0005360200000000, -0.0007297800000000 ] - [ -0.0003664000000000, -0.0000585000000000, -0.0000485400000000 ] - [ 0.0000000000000000, 0.0005659700000000, -0.0001085100000000 ] - [ 0.0003748700000000, 0.0000792200000000, 0.0000989500000000 ] - [ 0.0004245000000000, -0.0002907900000000, 0.0000070700000000 ] - [ 0.0002210900000000, -0.0005155000000000, -0.0000228600000000 ] - [ -0.0000215500000000, -0.0005097400000000, -0.0001580200000000 ] - [ 0.0002529600000000, 0.0001208700000000, 0.0002320600000000 ] - [ -0.0001409600000000, -0.0005253200000000, -0.0003558800000000 ] - [ 0.0000000000000000, 0.0003092800000000, 0.0000367000000000 ] - [ 0.0000781300000000, 0.0003607000000000, 0.0001502200000000 ] - [ 0.0000000000000000, -0.0003319400000000, -0.0000856000000000 ] - [ -0.0001111800000000, 0.0006182800000000, -0.0001900300000000 ] - [ 0.0004537200000000, 0.0004283000000000, 0.0003101500000000 ] - [ -0.0002944900000000, -0.0006291000000000, -0.0004125100000000 ] - [ 0.0003462500000000, -0.0001055600000000, -0.0002453300000000 ] - [ -0.0003748700000000, 0.0000792200000000, 0.0000989500000000 ] - [ 0.0001917900000000, 0.0005974900000000, 0.0000192700000000 ] - [ 0.0001852700000000, 0.0003900100000000, -0.0002884400000000 ] - [ -0.0000132700000000, 0.0004464100000000, 0.0000473800000000 ] - [ -0.0006851800000000, -0.0000036000000000, 0.0003785600000000 ] - [ 0.0001409600000000, -0.0005253200000000, -0.0003558800000000 ] - [ 0.0006257800000000, -0.0000387200000000, -0.0000589600000000 ] - [ 0.0001132400000000, 0.0000243100000000, 0.0006591400000000 ] - [ -0.0004245000000000, -0.0002907900000000, 0.0000070700000000 ] - [ -0.0002014600000000, -0.0004168100000000, 0.0003207900000000 ] - [ 0.0000408100000000, -0.0005429500000000, 0.0002539400000000 ] - [ -0.0002761800000000, 0.0001276700000000, -0.0001922800000000 ] - [ 0.0000132700000000, 0.0004464100000000, 0.0000473800000000 ] - [ 0.0002761800000000, 0.0001276700000000, -0.0001922800000000 ] - [ -0.0004537200000000, 0.0004283000000000, 0.0003101500000000 ] - [ -0.0005975200000000, 0.0000835700000000, -0.0001940600000000 ] - [ 0.0000000000000000, -0.0002825900000000, -0.0000250100000000 ] - [ 0.0000000000000000, 0.0003027000000000, 0.0000212900000000 ] - [ 0.0000215500000000, -0.0005097400000000, -0.0001580200000000 ] - [ -0.0001718600000000, 0.0005654700000000, 0.0001758700000000 ] - [ -0.0000367800000000, -0.0002045500000000, -0.0000415200000000 ] - [ -0.0002210900000000, -0.0005155000000000, -0.0000228600000000 ] - [ -0.0002529600000000, 0.0001208700000000, 0.0002320600000000 ] - [ -0.0001132400000000, 0.0000243100000000, 0.0006591400000000 ] - [ 0.0001718600000000, 0.0005654700000000, 0.0001758700000000 ] - [ 0.0006851800000000, -0.0000036000000000, 0.0003785600000000 ] - [ -0.0006257800000000, -0.0000387200000000, -0.0000589600000000 ] - [ 0.0001111800000000, 0.0006182800000000, -0.0001900300000000 ] - [ -0.0000781300000000, 0.0003607000000000, 0.0001502200000000 ] - [ -0.0001852700000000, 0.0003900100000000, -0.0002884400000000 ] - [ 0.0000000000000000, -0.0005872000000000, 0.0000696000000000 ] - [ 0.0000000000000000, 0.0005843700000000, 0.0000122900000000 ] - [ 0.0005975200000000, 0.0000835700000000, -0.0001940600000000 ] - [ -0.0003462500000000, -0.0001055600000000, -0.0002453300000000 ] - [ 0.0000000000000000, -0.0006049200000000, 0.0000903600000000 ] - [ -0.0001917900000000, 0.0005974900000000, 0.0000192700000000 ] - [ 0.0002944900000000, -0.0006291000000000, -0.0004125100000000 ] - [ 0.0003664000000000, -0.0000585000000000, -0.0000485400000000 ] - [ -0.0000408100000000, -0.0005429500000000, 0.0002539400000000 ] - [ 0.0002014600000000, -0.0004168100000000, 0.0003207900000000 ] - [ 0.0000367800000000, -0.0002045500000000, -0.0000415200000000 ]- atom: 92 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010414900000000, -0.0001450800000000, 0.0001847300000000 ] - [ -0.0012297500000000, 0.0005835400000000, 0.0009145400000000 ] - [ -0.0012297500000000, -0.0005835400000000, -0.0009145400000000 ] - [ -0.0010414900000000, 0.0001450800000000, -0.0001847300000000 ] - [ -0.0034737100000000, -0.0041706200000000, -0.0057735000000000 ] - [ 0.0001715500000000, 0.0011619500000000, -0.0007881600000000 ] - [ 0.0001715500000000, -0.0011619500000000, 0.0007881600000000 ] - [ -0.0034737100000000, 0.0041706200000000, 0.0057735000000000 ] - [ 0.0003475300000000, 0.0004778100000000, -0.0002645000000000 ] - [ -0.0002820800000000, -0.0022656100000000, 0.0009025900000000 ] - [ -0.0002820800000000, 0.0022656100000000, -0.0009025900000000 ] - [ -0.0007731700000000, 0.0000227100000000, 0.0007276400000000 ] - [ 0.0003475300000000, -0.0004778100000000, 0.0002645000000000 ] - [ -0.0005996100000000, 0.0000929400000000, 0.0005851900000000 ] - [ -0.0007731700000000, -0.0000227100000000, -0.0007276400000000 ] - [ -0.0005996100000000, -0.0000929400000000, -0.0005851900000000 ] - [ -0.0004114500000000, -0.0000756300000000, -0.0009082700000000 ] - [ -0.0006538700000000, -0.0002592700000000, 0.0004591700000000 ] - [ -0.0006538700000000, 0.0002592700000000, -0.0004591700000000 ] - [ 0.0026273700000000, 0.0012748100000000, 0.0001755800000000 ] - [ -0.0004114500000000, 0.0000756300000000, 0.0009082700000000 ] - [ 0.0011939800000000, 0.0006394600000000, 0.0008775000000000 ] - [ 0.0026273700000000, -0.0012748100000000, -0.0001755800000000 ] - [ 0.0011939800000000, -0.0006394600000000, -0.0008775000000000 ] - [ -0.0014555600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0026117900000000, 0.0011712100000000, 0.0004142900000000 ] - [ -0.0034591800000000, -0.0001637800000000, -0.0009347500000000 ] - [ 0.0000187800000000, -0.0043996900000000, -0.0007259400000000 ] - [ -0.0093905600000000, -0.0083468600000000, -0.0076632000000000 ] - [ 0.0069825000000000, -0.0006267800000000, -0.0146748200000000 ] - [ -0.0027739300000000, -0.0002258500000000, 0.0002425900000000 ] - [ -0.0034591800000000, 0.0001637800000000, 0.0009347500000000 ] - [ -0.0021037200000000, -0.0020219300000000, 0.0017876100000000 ] - [ -0.0003634500000000, -0.0012268100000000, 0.0001031900000000 ] - [ -0.0051083500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0021037200000000, 0.0020219300000000, -0.0017876100000000 ] - [ -0.0016002700000000, -0.0001124700000000, -0.0000348200000000 ] - [ -0.0093905600000000, 0.0083468600000000, 0.0076632000000000 ] - [ -0.0056760200000000, 0.0003797100000000, -0.0000893400000000 ] - [ -0.0026117900000000, -0.0011712100000000, -0.0004142900000000 ] - [ -0.0016002700000000, 0.0001124700000000, 0.0000348200000000 ] - [ 0.1156898300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000187800000000, 0.0043996900000000, 0.0007259400000000 ] - [ -0.0056760200000000, -0.0003797100000000, 0.0000893400000000 ] - [ -0.0003634500000000, 0.0012268100000000, -0.0001031900000000 ] - [ 0.0069825000000000, 0.0006267800000000, 0.0146748200000000 ] - [ -0.0027739300000000, 0.0002258500000000, -0.0002425900000000 ] - [ 0.0015144700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0025799500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0238920200000000, 0.0149210300000000, -0.0172726000000000 ] - [ 0.0033477900000000, 0.0008004700000000, 0.0005417600000000 ] - [ -0.0087052800000000, -0.0011330500000000, 0.0015737600000000 ] - [ -0.0015659100000000, -0.0028525500000000, 0.0002208400000000 ] - [ -0.0023279100000000, -0.0006405200000000, 0.0000792900000000 ] - [ 0.0016620700000000, -0.0001575100000000, 0.0008777200000000 ] - [ 0.0033477900000000, -0.0008004700000000, -0.0005417600000000 ] - [ 0.0000128900000000, -0.0011876100000000, -0.0011218400000000 ] - [ -0.0003934900000000, 0.0004802600000000, -0.0014331100000000 ] - [ 0.0030185900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000128900000000, 0.0011876100000000, 0.0011218400000000 ] - [ 0.0043482200000000, 0.0007153800000000, -0.0017117800000000 ] - [ -0.0015659100000000, 0.0028525500000000, -0.0002208400000000 ] - [ 0.0031213800000000, 0.0043766700000000, -0.0004452300000000 ] - [ 0.0238920200000000, -0.0149210300000000, 0.0172726000000000 ] - [ 0.0043482200000000, -0.0007153800000000, 0.0017117800000000 ] - [ -0.0020537900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0087052800000000, 0.0011330500000000, -0.0015737600000000 ] - [ 0.0031213800000000, -0.0043766700000000, 0.0004452300000000 ] - [ -0.0003934900000000, -0.0004802600000000, 0.0014331100000000 ] - [ -0.0023279100000000, 0.0006405200000000, -0.0000792900000000 ] - [ 0.0016620700000000, 0.0001575100000000, -0.0008777200000000 ] - [ -0.0022100400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0022365500000000, 0.0008006800000000, 0.0003371600000000 ] - [ 0.0023831500000000, 0.0007639700000000, -0.0002022800000000 ] - [ 0.0249197900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0014188900000000, 0.0000525000000000, -0.0002464100000000 ] - [ 0.0009478100000000, 0.0001049300000000, -0.0000016200000000 ] - [ 0.0001633200000000, -0.0014912200000000, 0.0000510400000000 ] - [ 0.0015646200000000, -0.0010619800000000, 0.0032049500000000 ] - [ -0.0023953400000000, -0.0014996200000000, -0.0024959100000000 ] - [ 0.0073930000000000, 0.0007517800000000, 0.0010213900000000 ] - [ 0.0017482900000000, -0.0001671200000000, -0.0003957100000000 ] - [ 0.0014374000000000, -0.0002359500000000, -0.0001411300000000 ] - [ 0.0007203800000000, -0.0001365500000000, 0.0000644800000000 ] - [ 0.0024596400000000, -0.0008730000000000, -0.0014753600000000 ] - [ -0.0087728600000000, 0.0010237600000000, 0.0046116200000000 ] - [ 0.0015646200000000, 0.0010619800000000, -0.0032049500000000 ] - [ 0.0020969400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0009478100000000, -0.0001049300000000, 0.0000016200000000 ] - [ 0.0007323200000000, 0.0004759200000000, -0.0002004800000000 ] - [ 0.0001633200000000, 0.0014912200000000, -0.0000510400000000 ] - [ -0.1999671300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007014900000000, -0.0004102900000000, 0.0003031400000000 ] - [ 0.0009842000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0042093900000000, -0.0133540800000000, 0.0210105500000000 ] - [ -0.0003356900000000, -0.0011876000000000, 0.0023907800000000 ] - [ 0.0002392700000000, -0.0015724900000000, 0.0007752200000000 ] - [ 0.0007944200000000, 0.0031435200000000, 0.0001734400000000 ] - [ -0.0003356900000000, 0.0011876000000000, -0.0023907800000000 ] - [ 0.0005197400000000, 0.0005987400000000, 0.0002095800000000 ] - [ 0.0014188900000000, -0.0000525000000000, 0.0002464100000000 ] - [ -0.0087728600000000, -0.0010237600000000, -0.0046116200000000 ] - [ -0.0026331100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0073930000000000, -0.0007517800000000, -0.0010213900000000 ] - [ 0.0014374000000000, 0.0002359500000000, 0.0001411300000000 ] - [ 0.0005197400000000, -0.0005987400000000, -0.0002095800000000 ] - [ -0.0023953400000000, 0.0014996200000000, 0.0024959100000000 ] - [ 0.0017482900000000, 0.0001671200000000, 0.0003957100000000 ] - [ 0.0004551800000000, 0.0023128000000000, 0.0008220000000000 ] - [ 0.0016767800000000, -0.0000664100000000, 0.0003465000000000 ] - [ 0.0022365500000000, -0.0008006800000000, -0.0003371600000000 ] - [ 0.0007014900000000, 0.0004102900000000, -0.0003031400000000 ] - [ 0.0046514900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007193100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007944200000000, -0.0031435200000000, -0.0001734400000000 ] - [ 0.0044553400000000, 0.0075380700000000, 0.0152125400000000 ] - [ 0.0002392700000000, 0.0015724900000000, -0.0007752200000000 ] - [ 0.0023831500000000, -0.0007639700000000, 0.0002022800000000 ] - [ 0.0019778900000000, 0.0002462400000000, -0.0000216900000000 ] - [ 0.0010762200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0016767800000000, 0.0000664100000000, -0.0003465000000000 ] - [ 0.0019778900000000, -0.0002462400000000, 0.0000216900000000 ] - [ 0.0004551800000000, -0.0023128000000000, -0.0008220000000000 ] - [ 0.0024596400000000, 0.0008730000000000, 0.0014753600000000 ] - [ 0.0042093900000000, 0.0133540800000000, -0.0210105500000000 ] - [ 0.0007203800000000, 0.0001365500000000, -0.0000644800000000 ] - [ 0.0007323200000000, -0.0004759200000000, 0.0002004800000000 ] - [ 0.0044553400000000, -0.0075380700000000, -0.0152125400000000 ] - [ -0.0014270200000000, -0.0009851200000000, -0.0001806600000000 ] - [ -0.0010020400000000, 0.0004336400000000, -0.0000248300000000 ] - [ 0.0015893200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0010610000000000, -0.0000359800000000, 0.0000095900000000 ] - [ -0.0012378100000000, 0.0054941400000000, -0.0037849600000000 ] - [ 0.0001784800000000, -0.0005367600000000, -0.0002532200000000 ] - [ 0.0014644100000000, 0.0005560100000000, -0.0003053300000000 ] - [ 0.0009169900000000, -0.0002537300000000, -0.0000845400000000 ] - [ -0.0001359700000000, 0.0006828900000000, -0.0000851200000000 ] - [ -0.0020249300000000, 0.0002757900000000, 0.0000326600000000 ] - [ -0.0017468300000000, -0.0002233800000000, 0.0009509200000000 ] - [ -0.0035307900000000, -0.0062274400000000, 0.0011674700000000 ] - [ -0.0008639800000000, 0.0009854000000000, 0.0003996300000000 ] - [ 0.0009841500000000, -0.0004602400000000, -0.0000717100000000 ] - [ 0.0014644100000000, -0.0005560100000000, 0.0003053300000000 ] - [ -0.0024889800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0012378100000000, -0.0054941400000000, 0.0037849600000000 ] - [ -0.0014528000000000, 0.0006026500000000, 0.0008800000000000 ] - [ 0.0001784800000000, 0.0005367600000000, 0.0002532200000000 ] - [ 0.0008381600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008593700000000, -0.0000948400000000, -0.0002503500000000 ] - [ 0.0016902200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0014438400000000, 0.0001372300000000, -0.0000046200000000 ] - [ 0.0005697000000000, -0.0002969100000000, -0.0000428700000000 ] - [ 0.0012568300000000, -0.0016610300000000, -0.0020501800000000 ] - [ 0.0012071700000000, 0.0012191700000000, -0.0004181300000000 ] - [ 0.0005697000000000, 0.0002969100000000, 0.0000428700000000 ] - [ -0.0008288300000000, 0.0000626500000000, 0.0001375500000000 ] - [ -0.0010610000000000, 0.0000359800000000, -0.0000095900000000 ] - [ 0.0009841500000000, 0.0004602400000000, 0.0000717100000000 ] - [ 0.0005411100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001359700000000, -0.0006828900000000, 0.0000851200000000 ] - [ -0.0017468300000000, 0.0002233800000000, -0.0009509200000000 ] - [ -0.0008288300000000, -0.0000626500000000, -0.0001375500000000 ] - [ 0.0009169900000000, 0.0002537300000000, 0.0000845400000000 ] - [ -0.0020249300000000, -0.0002757900000000, -0.0000326600000000 ] - [ 0.0005792700000000, 0.0013738800000000, -0.0010960100000000 ] - [ -0.0024558000000000, 0.0015390600000000, -0.0008409800000000 ] - [ -0.0014270200000000, 0.0009851200000000, 0.0001806600000000 ] - [ -0.0008593700000000, 0.0000948400000000, 0.0002503500000000 ] - [ -0.0005526300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0022253200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012071700000000, -0.0012191700000000, 0.0004181300000000 ] - [ 0.0010445700000000, 0.0009055800000000, -0.0000798800000000 ] - [ 0.0012568300000000, 0.0016610300000000, 0.0020501800000000 ] - [ -0.0010020400000000, -0.0004336400000000, 0.0000248300000000 ] - [ 0.0125427100000000, -0.0081261000000000, 0.0110854200000000 ] - [ -0.0003774300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0024558000000000, -0.0015390600000000, 0.0008409800000000 ] - [ 0.0125427100000000, 0.0081261000000000, -0.0110854200000000 ] - [ 0.0005792700000000, -0.0013738800000000, 0.0010960100000000 ] - [ -0.0008639800000000, -0.0009854000000000, -0.0003996300000000 ] - [ 0.0014438400000000, -0.0001372300000000, 0.0000046200000000 ] - [ -0.0035307900000000, 0.0062274400000000, -0.0011674700000000 ] - [ -0.0014528000000000, -0.0006026500000000, -0.0008800000000000 ] - [ 0.0010445700000000, -0.0009055800000000, 0.0000798800000000 ]- atom: 92 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010451200000000, 0.0011202100000000, -0.0006428700000000 ] - [ 0.0012334400000000, 0.0003848200000000, -0.0004689700000000 ] - [ 0.0012334400000000, -0.0003848200000000, 0.0004689700000000 ] - [ 0.0010451200000000, -0.0011202100000000, 0.0006428700000000 ] - [ 0.0036252900000000, 0.0052228400000000, 0.0053961700000000 ] - [ -0.0001536500000000, -0.0001995300000000, 0.0012517100000000 ] - [ -0.0001536500000000, 0.0001995300000000, -0.0012517100000000 ] - [ 0.0036252900000000, -0.0052228400000000, -0.0053961700000000 ] - [ -0.0001523400000000, -0.0006682300000000, -0.0010184700000000 ] - [ 0.0004773100000000, 0.0020949800000000, 0.0003726500000000 ] - [ 0.0004773100000000, -0.0020949800000000, -0.0003726500000000 ] - [ 0.0005765300000000, -0.0002080800000000, 0.0005499200000000 ] - [ -0.0001523400000000, 0.0006682300000000, 0.0010184700000000 ] - [ 0.0004027900000000, 0.0000941100000000, 0.0006938500000000 ] - [ 0.0005765300000000, 0.0002080800000000, -0.0005499200000000 ] - [ 0.0004027900000000, -0.0000941100000000, -0.0006938500000000 ] - [ 0.0006136500000000, -0.0001104300000000, -0.0003705300000000 ] - [ 0.0008551600000000, 0.0000709300000000, 0.0008200500000000 ] - [ 0.0008551600000000, -0.0000709300000000, -0.0008200500000000 ] - [ -0.0028620900000000, -0.0014465700000000, 0.0011239800000000 ] - [ 0.0006136500000000, 0.0001104300000000, 0.0003705300000000 ] - [ -0.0014084600000000, -0.0004568000000000, 0.0003926700000000 ] - [ -0.0028620900000000, 0.0014465700000000, -0.0011239800000000 ] - [ -0.0014084600000000, 0.0004568000000000, -0.0003926700000000 ] - [ 0.0024879500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0022299900000000, -0.0009644000000000, -0.0000704500000000 ] - [ 0.0034744400000000, 0.0009791600000000, 0.0009291000000000 ] - [ 0.0003636700000000, 0.0042236000000000, 0.0003868800000000 ] - [ 0.0089789700000000, 0.0078711400000000, 0.0073346900000000 ] - [ -0.0070987900000000, -0.0002026100000000, 0.0147760100000000 ] - [ 0.0023877200000000, 0.0000050100000000, 0.0001058400000000 ] - [ 0.0034744400000000, -0.0009791600000000, -0.0009291000000000 ] - [ 0.0025005700000000, 0.0022562800000000, -0.0021477400000000 ] - [ -0.0001257000000000, 0.0018017600000000, -0.0005241200000000 ] - [ 0.0041065400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0025005700000000, -0.0022562800000000, 0.0021477400000000 ] - [ 0.0020817800000000, 0.0006795900000000, -0.0003840800000000 ] - [ 0.0089789700000000, -0.0078711400000000, -0.0073346900000000 ] - [ 0.0061924900000000, 0.0001771700000000, 0.0005078500000000 ] - [ 0.0022299900000000, 0.0009644000000000, 0.0000704500000000 ] - [ 0.0020817800000000, -0.0006795900000000, 0.0003840800000000 ] - [ -0.1236874300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003636700000000, -0.0042236000000000, -0.0003868800000000 ] - [ 0.0061924900000000, -0.0001771700000000, -0.0005078500000000 ] - [ -0.0001257000000000, -0.0018017600000000, 0.0005241200000000 ] - [ -0.0070987900000000, 0.0002026100000000, -0.0147760100000000 ] - [ 0.0023877200000000, -0.0000050100000000, -0.0001058400000000 ] - [ -0.0025630300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0015795200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0243099600000000, -0.0149971800000000, 0.0179264700000000 ] - [ -0.0033908000000000, 0.0000072600000000, -0.0005391200000000 ] - [ 0.0090979700000000, 0.0008978100000000, -0.0019094900000000 ] - [ 0.0011264400000000, 0.0022798900000000, -0.0006387500000000 ] - [ 0.0023427400000000, -0.0001741600000000, -0.0000796100000000 ] - [ -0.0020542800000000, -0.0000602400000000, -0.0005435000000000 ] - [ -0.0033908000000000, -0.0000072600000000, 0.0005391200000000 ] - [ 0.0003968200000000, 0.0014035800000000, 0.0007737600000000 ] - [ -0.0000665900000000, 0.0000810900000000, 0.0010117800000000 ] - [ -0.0040865800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003968200000000, -0.0014035800000000, -0.0007737600000000 ] - [ -0.0038736800000000, -0.0001257000000000, 0.0013260500000000 ] - [ 0.0011264400000000, -0.0022798900000000, 0.0006387500000000 ] - [ -0.0026408800000000, -0.0039000800000000, 0.0008821800000000 ] - [ -0.0243099600000000, 0.0149971800000000, -0.0179264700000000 ] - [ -0.0038736800000000, 0.0001257000000000, -0.0013260500000000 ] - [ 0.0030906900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0090979700000000, -0.0008978100000000, 0.0019094900000000 ] - [ -0.0026408800000000, 0.0039000800000000, -0.0008821800000000 ] - [ -0.0000665900000000, -0.0000810900000000, -0.0010117800000000 ] - [ 0.0023427400000000, 0.0001741600000000, 0.0000796100000000 ] - [ -0.0020542800000000, 0.0000602400000000, 0.0005435000000000 ] - [ 0.0012029100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0026943000000000, -0.0004935800000000, -0.0003455800000000 ] - [ -0.0023903500000000, 0.0003594400000000, 0.0000584900000000 ] - [ -0.0245962900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0009644500000000, -0.0003607600000000, 0.0002325800000000 ] - [ -0.0005609000000000, -0.0009883600000000, -0.0003096800000000 ] - [ -0.0001057900000000, 0.0006165400000000, -0.0003100200000000 ] - [ -0.0008472500000000, 0.0014663600000000, -0.0030091500000000 ] - [ 0.0025026800000000, 0.0007273100000000, 0.0023312600000000 ] - [ -0.0074485100000000, -0.0001099400000000, -0.0010341900000000 ] - [ -0.0016725900000000, 0.0009440000000000, 0.0002137800000000 ] - [ -0.0014333000000000, -0.0004105300000000, 0.0001393400000000 ] - [ -0.0007790400000000, 0.0010290500000000, -0.0003250000000000 ] - [ -0.0017609800000000, 0.0012626100000000, 0.0012493500000000 ] - [ 0.0081302700000000, -0.0014332100000000, -0.0045253700000000 ] - [ -0.0008472500000000, -0.0014663600000000, 0.0030091500000000 ] - [ -0.0028605100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005609000000000, 0.0009883600000000, 0.0003096800000000 ] - [ -0.0003430800000000, 0.0003993100000000, -0.0001068700000000 ] - [ -0.0001057900000000, -0.0006165400000000, 0.0003100200000000 ] - [ 0.2072598700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007912800000000, -0.0003626700000000, -0.0004816300000000 ] - [ 0.0005661200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0037026000000000, 0.0132579800000000, -0.0212798900000000 ] - [ -0.0001112900000000, 0.0008857100000000, -0.0024201900000000 ] - [ -0.0006298200000000, 0.0007068600000000, -0.0004708500000000 ] - [ -0.0007415100000000, -0.0040640100000000, 0.0000882400000000 ] - [ -0.0001112900000000, -0.0008857100000000, 0.0024201900000000 ] - [ -0.0005771500000000, 0.0002841000000000, 0.0000489300000000 ] - [ -0.0009644500000000, 0.0003607600000000, -0.0002325800000000 ] - [ 0.0081302700000000, 0.0014332100000000, 0.0045253700000000 ] - [ 0.0018997200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0074485100000000, 0.0001099400000000, 0.0010341900000000 ] - [ -0.0014333000000000, 0.0004105300000000, -0.0001393400000000 ] - [ -0.0005771500000000, -0.0002841000000000, -0.0000489300000000 ] - [ 0.0025026800000000, -0.0007273100000000, -0.0023312600000000 ] - [ -0.0016725900000000, -0.0009440000000000, -0.0002137800000000 ] - [ -0.0008488600000000, -0.0032129000000000, -0.0011439900000000 ] - [ -0.0023936500000000, 0.0004624800000000, -0.0001283900000000 ] - [ -0.0026943000000000, 0.0004935800000000, 0.0003455800000000 ] - [ -0.0007912800000000, 0.0003626700000000, 0.0004816300000000 ] - [ -0.0031191100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0022679300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007415100000000, 0.0040640100000000, -0.0000882400000000 ] - [ -0.0045191500000000, -0.0068842300000000, -0.0155965400000000 ] - [ -0.0006298200000000, -0.0007068600000000, 0.0004708500000000 ] - [ -0.0023903500000000, -0.0003594400000000, -0.0000584900000000 ] - [ -0.0019872300000000, 0.0008828100000000, 0.0001667800000000 ] - [ -0.0003329600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0023936500000000, -0.0004624800000000, 0.0001283900000000 ] - [ -0.0019872300000000, -0.0008828100000000, -0.0001667800000000 ] - [ -0.0008488600000000, 0.0032129000000000, 0.0011439900000000 ] - [ -0.0017609800000000, -0.0012626100000000, -0.0012493500000000 ] - [ -0.0037026000000000, -0.0132579800000000, 0.0212798900000000 ] - [ -0.0007790400000000, -0.0010290500000000, 0.0003250000000000 ] - [ -0.0003430800000000, -0.0003993100000000, 0.0001068700000000 ] - [ -0.0045191500000000, 0.0068842300000000, 0.0155965400000000 ] - [ 0.0009886500000000, 0.0013061300000000, 0.0001693000000000 ] - [ 0.0009894300000000, 0.0006947300000000, -0.0001190800000000 ] - [ -0.0008485400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0015287100000000, -0.0002757500000000, -0.0000179300000000 ] - [ 0.0016693100000000, -0.0064853900000000, 0.0035392100000000 ] - [ -0.0001279500000000, -0.0003456700000000, -0.0000080400000000 ] - [ -0.0007629000000000, -0.0001664300000000, 0.0005311100000000 ] - [ -0.0008377500000000, -0.0005235500000000, -0.0000973000000000 ] - [ 0.0000809800000000, -0.0000420000000000, 0.0000843400000000 ] - [ 0.0021330900000000, 0.0004949000000000, -0.0002146100000000 ] - [ 0.0017316300000000, -0.0004240700000000, -0.0009545800000000 ] - [ 0.0034426100000000, 0.0072701100000000, -0.0014698600000000 ] - [ 0.0015935400000000, -0.0006039700000000, -0.0006294800000000 ] - [ -0.0017027000000000, 0.0000700000000000, 0.0002966000000000 ] - [ -0.0007629000000000, 0.0001664300000000, -0.0005311100000000 ] - [ 0.0017623600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0016693100000000, 0.0064853900000000, -0.0035392100000000 ] - [ 0.0018442900000000, 0.0002641200000000, -0.0011995000000000 ] - [ -0.0001279500000000, 0.0003456700000000, 0.0000080400000000 ] - [ -0.0023902700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007883000000000, -0.0006822700000000, 0.0000662400000000 ] - [ -0.0001589700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0009920700000000, -0.0004497600000000, 0.0000153700000000 ] - [ -0.0010317400000000, -0.0000117700000000, 0.0000323600000000 ] - [ -0.0016432000000000, 0.0007846000000000, 0.0023512100000000 ] - [ -0.0011570100000000, -0.0020945200000000, 0.0006767900000000 ] - [ -0.0010317400000000, 0.0000117700000000, -0.0000323600000000 ] - [ 0.0007784200000000, 0.0008153500000000, 0.0001211900000000 ] - [ 0.0015287100000000, 0.0002757500000000, 0.0000179300000000 ] - [ -0.0017027000000000, -0.0000700000000000, -0.0002966000000000 ] - [ -0.0012960000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000809800000000, 0.0000420000000000, -0.0000843400000000 ] - [ 0.0017316300000000, 0.0004240700000000, 0.0009545800000000 ] - [ 0.0007784200000000, -0.0008153500000000, -0.0001211900000000 ] - [ -0.0008377500000000, 0.0005235500000000, 0.0000973000000000 ] - [ 0.0021330900000000, -0.0004949000000000, 0.0002146100000000 ] - [ -0.0009731200000000, -0.0022338200000000, 0.0007820600000000 ] - [ 0.0017655500000000, -0.0011796800000000, 0.0010894400000000 ] - [ 0.0009886500000000, -0.0013061300000000, -0.0001693000000000 ] - [ 0.0007883000000000, 0.0006822700000000, -0.0000662400000000 ] - [ 0.0021174300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006946200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0011570100000000, 0.0020945200000000, -0.0006767900000000 ] - [ -0.0011361700000000, -0.0001299400000000, -0.0001013500000000 ] - [ -0.0016432000000000, -0.0007846000000000, -0.0023512100000000 ] - [ 0.0009894300000000, -0.0006947300000000, 0.0001190800000000 ] - [ -0.0124350700000000, 0.0091562900000000, -0.0108096500000000 ] - [ 0.0011381300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0017655500000000, 0.0011796800000000, -0.0010894400000000 ] - [ -0.0124350700000000, -0.0091562900000000, 0.0108096500000000 ] - [ -0.0009731200000000, 0.0022338200000000, -0.0007820600000000 ] - [ 0.0015935400000000, 0.0006039700000000, 0.0006294800000000 ] - [ -0.0009920700000000, 0.0004497600000000, -0.0000153700000000 ] - [ 0.0034426100000000, -0.0072701100000000, 0.0014698600000000 ] - [ 0.0018442900000000, -0.0002641200000000, 0.0011995000000000 ] - [ -0.0011361700000000, 0.0001299400000000, 0.0001013500000000 ]- atom: 92 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001296300000000, 0.0003926700000000, -0.0003244100000000 ] - [ -0.0000342200000000, 0.0006000700000000, 0.0003380900000000 ] - [ 0.0000294400000000, -0.0003703700000000, -0.0001214000000000 ] - [ 0.0001264500000000, -0.0005715200000000, 0.0001262600000000 ] - [ -0.0028072000000000, 0.0028120900000000, -0.0039023700000000 ] - [ 0.0010017100000000, -0.0004131100000000, 0.0019674100000000 ] - [ -0.0010091400000000, -0.0013855000000000, 0.0015244900000000 ] - [ 0.0028656100000000, 0.0017744300000000, -0.0034775500000000 ] - [ 0.0000212600000000, -0.0000651700000000, -0.0006194900000000 ] - [ -0.0007924700000000, -0.0008694500000000, 0.0004648300000000 ] - [ 0.0009943400000000, -0.0006720100000000, -0.0008177500000000 ] - [ 0.0000203000000000, -0.0001305300000000, 0.0006127100000000 ] - [ 0.0001805300000000, 0.0001162300000000, 0.0006572400000000 ] - [ -0.0001096600000000, 0.0001024500000000, 0.0006588200000000 ] - [ -0.0002224900000000, 0.0000556100000000, -0.0006672700000000 ] - [ -0.0000918600000000, -0.0000822600000000, -0.0006196900000000 ] - [ 0.0002863500000000, -0.0000871800000000, -0.0003997500000000 ] - [ -0.0001899400000000, -0.0001307000000000, 0.0004383000000000 ] - [ 0.0003845000000000, 0.0000539200000000, -0.0008402600000000 ] - [ 0.0012151900000000, -0.0018060600000000, -0.0011434000000000 ] - [ -0.0000895900000000, 0.0000986400000000, 0.0008799100000000 ] - [ 0.0006230000000000, 0.0001645900000000, 0.0019099600000000 ] - [ -0.0013938600000000, -0.0016239000000000, -0.0024100300000000 ] - [ -0.0008143000000000, -0.0000247200000000, 0.0006254200000000 ] - [ 0.0005001400000000, 0.0000854600000000, 0.0004645500000000 ] - [ -0.0001764500000000, -0.0000178200000000, 0.0000511900000000 ] - [ 0.0005767300000000, 0.0009080900000000, 0.0002965600000000 ] - [ 0.0002025900000000, -0.0007026200000000, -0.0005753300000000 ] - [ -0.0016221000000000, 0.0003116200000000, -0.0009490300000000 ] - [ 0.0020535200000000, 0.0062435700000000, 0.0021397000000000 ] - [ -0.0001144500000000, -0.0000920800000000, 0.0002899400000000 ] - [ -0.0005908900000000, 0.0000919300000000, 0.0002950300000000 ] - [ -0.0004373800000000, 0.0001754800000000, 0.0004877400000000 ] - [ -0.0005115400000000, -0.0000982400000000, 0.0002235200000000 ] - [ -0.0005135200000000, 0.0009034600000000, -0.0011171000000000 ] - [ 0.0008207100000000, -0.0000182700000000, 0.0008228900000000 ] - [ 0.0001351700000000, 0.0001761100000000, -0.0000608300000000 ] - [ 0.0011014400000000, 0.0009739100000000, -0.0004432600000000 ] - [ 0.0003973100000000, 0.0004072600000000, 0.0000759100000000 ] - [ -0.0002240100000000, -0.0002356500000000, -0.0002964100000000 ] - [ 0.0003349400000000, -0.0003950400000000, 0.0003622800000000 ] - [ 0.0007088600000000, 0.0192865800000000, -0.0071318100000000 ] - [ 0.0001958700000000, -0.0004611100000000, -0.0002257200000000 ] - [ 0.0000416500000000, -0.0001737800000000, -0.0003487900000000 ] - [ 0.0000413700000000, -0.0006625500000000, 0.0006466800000000 ] - [ -0.0020517400000000, 0.0070414200000000, 0.0021989900000000 ] - [ -0.0002859000000000, 0.0001127400000000, -0.0000559400000000 ] - [ -0.0005028400000000, 0.0001220800000000, 0.0022131800000000 ] - [ 0.0005123300000000, -0.0003079900000000, 0.0014563300000000 ] - [ 0.0022658100000000, -0.0032153700000000, 0.0125261000000000 ] - [ -0.0018110100000000, -0.0008339800000000, 0.0003701700000000 ] - [ -0.0058126000000000, 0.0005794800000000, 0.0002838900000000 ] - [ -0.0031652300000000, -0.0024644100000000, -0.0009917600000000 ] - [ -0.0003965400000000, -0.0007630800000000, 0.0001758600000000 ] - [ -0.0006537300000000, -0.0023245000000000, 0.0010952700000000 ] - [ 0.0018435800000000, -0.0016592500000000, 0.0003738600000000 ] - [ 0.0003172900000000, -0.0010447400000000, -0.0001768600000000 ] - [ -0.0003129200000000, 0.0013129300000000, 0.0000730700000000 ] - [ -0.0004867100000000, -0.0020460700000000, -0.0020138300000000 ] - [ 0.0000644700000000, -0.0012547200000000, 0.0001703700000000 ] - [ 0.0009135000000000, 0.0022322300000000, 0.0009613600000000 ] - [ 0.0026549100000000, -0.0018888200000000, -0.0005666800000000 ] - [ -0.0006463700000000, -0.0125583700000000, -0.0000691900000000 ] - [ -0.0024926000000000, -0.0030689800000000, 0.0116656200000000 ] - [ -0.0004188800000000, 0.0016341400000000, 0.0013866100000000 ] - [ 0.0004974600000000, -0.0005050600000000, -0.0005984400000000 ] - [ 0.0061944600000000, 0.0007738900000000, 0.0006267000000000 ] - [ 0.0011315900000000, -0.0132033100000000, -0.0004654200000000 ] - [ -0.0001641000000000, 0.0007360600000000, 0.0005003300000000 ] - [ 0.0003834000000000, 0.0000573400000000, 0.0001757700000000 ] - [ 0.0002659500000000, -0.0021021700000000, 0.0007369900000000 ] - [ -0.0005101100000000, -0.0001432700000000, 0.0003142800000000 ] - [ -0.0013345700000000, -0.0005996000000000, 0.0002923300000000 ] - [ 0.0002638500000000, 0.0004907700000000, -0.0001649700000000 ] - [ 0.0005098800000000, 0.0014001900000000, -0.0004797400000000 ] - [ 0.0003013000000000, -0.0002548600000000, -0.0002175200000000 ] - [ 0.0002123100000000, -0.0004259700000000, -0.0001385500000000 ] - [ -0.0000047000000000, -0.0003884600000000, -0.0003172100000000 ] - [ -0.0003509500000000, -0.0006948300000000, 0.0003379900000000 ] - [ 0.0000916800000000, -0.0010114100000000, -0.0014796400000000 ] - [ 0.0004378900000000, 0.0002135500000000, 0.0002321700000000 ] - [ 0.0000501100000000, 0.0001577600000000, 0.0001417400000000 ] - [ 0.0001972500000000, -0.0002738600000000, -0.0000403600000000 ] - [ -0.0000211600000000, 0.0004473200000000, -0.0000242700000000 ] - [ 0.0009437400000000, -0.0010970400000000, -0.0008555100000000 ] - [ 0.0003057200000000, -0.0054333400000000, -0.0022810700000000 ] - [ 0.0010649700000000, -0.0010752200000000, 0.0000931400000000 ] - [ -0.0003676300000000, -0.0000842100000000, 0.0000860600000000 ] - [ 0.0001835400000000, 0.0004439000000000, 0.0001684100000000 ] - [ 0.0001814100000000, 0.0004606700000000, -0.0002010600000000 ] - [ 0.0000583600000000, 0.0004981300000000, -0.0000647000000000 ] - [ -0.0012202200000000, -0.0653687200000000, 0.0260667600000000 ] - [ -0.0000795900000000, -0.0005429600000000, -0.0003402400000000 ] - [ 0.0007737200000000, -0.0002294400000000, -0.0004574800000000 ] - [ -0.0133312800000000, 0.0001832600000000, -0.0109428500000000 ] - [ -0.0006231700000000, -0.0007154100000000, -0.0012393900000000 ] - [ -0.0005327100000000, -0.0003210700000000, -0.0002324600000000 ] - [ 0.0002580600000000, -0.0002736100000000, 0.0005385600000000 ] - [ 0.0001624600000000, -0.0003908200000000, -0.0012395900000000 ] - [ -0.0000201700000000, 0.0004532500000000, 0.0000487100000000 ] - [ 0.0001649600000000, 0.0000616100000000, -0.0002076600000000 ] - [ -0.0010349800000000, -0.0050744500000000, -0.0024662300000000 ] - [ -0.0003791500000000, 0.0000992200000000, -0.0006517100000000 ] - [ -0.0003909100000000, -0.0004416600000000, 0.0002245900000000 ] - [ -0.0001931000000000, 0.0003736100000000, -0.0000370500000000 ] - [ -0.0000318000000000, -0.0004305400000000, -0.0002051900000000 ] - [ -0.0000154400000000, -0.0002209500000000, -0.0012878400000000 ] - [ 0.0000439700000000, -0.0006235600000000, 0.0003257400000000 ] - [ -0.0001203000000000, -0.0003409200000000, -0.0000278700000000 ] - [ -0.0001431300000000, 0.0000873800000000, 0.0001575500000000 ] - [ 0.0008799900000000, -0.0009197600000000, 0.0003019200000000 ] - [ -0.0000025500000000, 0.0002408300000000, -0.0001569400000000 ] - [ 0.0007772000000000, -0.0016180300000000, 0.0010089100000000 ] - [ -0.0007704700000000, -0.0000927700000000, -0.0001400000000000 ] - [ -0.0002021900000000, 0.0005774200000000, 0.0002848400000000 ] - [ 0.0054019500000000, -0.0012729500000000, 0.0043809500000000 ] - [ 0.0001409800000000, 0.0005615900000000, -0.0005432700000000 ] - [ -0.0002565100000000, -0.0006366500000000, -0.0000181000000000 ] - [ -0.0000201300000000, 0.0006371800000000, 0.0001379900000000 ] - [ 0.0003758200000000, -0.0001261600000000, -0.0001020600000000 ] - [ -0.0005605100000000, -0.0003019100000000, -0.0000702500000000 ] - [ 0.0000252200000000, -0.0004863600000000, -0.0000068200000000 ] - [ -0.0002691700000000, 0.0005113100000000, 0.0002734900000000 ] - [ -0.0002221700000000, -0.0014851300000000, -0.0006266600000000 ] - [ 0.0136895900000000, 0.0005898200000000, -0.0109118700000000 ] - [ -0.0000292900000000, -0.0004266600000000, 0.0002277800000000 ] - [ 0.0002123600000000, -0.0004181700000000, 0.0001077100000000 ] - [ -0.0055166300000000, -0.0020909200000000, 0.0045185800000000 ] - [ -0.0002686400000000, 0.0009311600000000, 0.0005637600000000 ] - [ -0.0003700500000000, 0.0009691800000000, -0.0003362100000000 ] - [ 0.0003791300000000, 0.0018272900000000, 0.0015980600000000 ] - [ 0.0000583100000000, 0.0001671500000000, -0.0006442600000000 ] - [ -0.0008211200000000, 0.0120598000000000, -0.0055463400000000 ] - [ -0.0000621300000000, -0.0006171000000000, -0.0004995500000000 ] - [ 0.0007698000000000, 0.0009628800000000, -0.0003911000000000 ] - [ -0.0000049700000000, -0.0002826700000000, -0.0002537300000000 ] - [ 0.0034411600000000, 0.0012935400000000, 0.0000024300000000 ] - [ -0.0013238700000000, 0.0022498600000000, 0.0005513800000000 ] - [ -0.0003693900000000, -0.0006121000000000, 0.0001708100000000 ] - [ -0.0015619700000000, 0.0204316100000000, -0.0036051300000000 ] - [ -0.0001122100000000, 0.0005170300000000, 0.0000043200000000 ] - [ -0.0004604000000000, -0.0000982400000000, 0.0001421100000000 ] - [ -0.0000474600000000, 0.0005691300000000, -0.0006128300000000 ] - [ -0.0003843000000000, 0.0063757400000000, 0.0047800600000000 ] - [ 0.0011937400000000, 0.0128036000000000, -0.0052123700000000 ] - [ -0.0000591400000000, 0.0009286700000000, 0.0012913300000000 ] - [ 0.0001183400000000, 0.0002579000000000, -0.0002471000000000 ] - [ -0.0007693400000000, 0.0000463700000000, 0.0000725500000000 ] - [ 0.0002977100000000, 0.0000344800000000, -0.0007415800000000 ] - [ 0.0007758100000000, 0.0002662400000000, -0.0001564800000000 ] - [ 0.0002232200000000, -0.0000002000000000, 0.0001484400000000 ] - [ -0.0002495900000000, -0.0000120400000000, -0.0001531800000000 ] - [ -0.0009328700000000, 0.0001787900000000, 0.0013824500000000 ] - [ 0.0008386700000000, 0.0002658900000000, 0.0001359800000000 ] - [ -0.0002057200000000, 0.0003045500000000, -0.0001442000000000 ] - [ -0.0000282000000000, 0.0001869300000000, -0.0008950200000000 ] - [ 0.0003941500000000, 0.0004798400000000, -0.0006317600000000 ] - [ -0.0002460700000000, 0.0002962500000000, -0.0000805400000000 ] - [ -0.0003716700000000, 0.0001607100000000, -0.0001758200000000 ] - [ -0.0033999300000000, 0.0006435500000000, 0.0000073600000000 ] - [ 0.0003656400000000, 0.0000364200000000, 0.0001703600000000 ] - [ -0.0000294600000000, -0.0006831600000000, -0.0011474400000000 ] - [ 0.0000944300000000, 0.0004992800000000, -0.0000682500000000 ] - [ 0.0013887300000000, 0.0014617300000000, 0.0007364200000000 ] - [ 0.0003606000000000, 0.0002738900000000, -0.0005004100000000 ] - [ -0.0015813900000000, 0.0037068700000000, -0.0021084700000000 ] - [ -0.0002056600000000, 0.0006221400000000, 0.0005721900000000 ] - [ -0.0003911800000000, 0.0008159900000000, -0.0005583300000000 ] - [ 0.0007659700000000, 0.0001760300000000, 0.0001596100000000 ] - [ -0.0007759500000000, 0.0001420200000000, -0.0004980300000000 ] - [ -0.0007791100000000, 0.0011501600000000, -0.0001179400000000 ] - [ 0.0005056600000000, 0.0008639400000000, 0.0000625800000000 ] - [ 0.0005459200000000, 0.0010535600000000, 0.0010793700000000 ] - [ 0.0003730500000000, -0.0001547000000000, -0.0001911300000000 ] - [ -0.0116732900000000, 0.0000788100000000, -0.0039206000000000 ] - [ 0.0003706200000000, 0.0003878400000000, -0.0004693700000000 ] - [ 0.0008474900000000, 0.0032843200000000, -0.0023057000000000 ] - [ 0.0117036200000000, -0.0011031800000000, -0.0040645400000000 ] - [ -0.0007500700000000, 0.0011557300000000, -0.0001902700000000 ] - [ 0.0008126100000000, 0.0001194900000000, 0.0002263300000000 ] - [ 0.0002445300000000, 0.0003147600000000, 0.0001388800000000 ] - [ 0.0015224300000000, 0.0199079900000000, -0.0033866400000000 ] - [ 0.0004459100000000, 0.0000631600000000, 0.0015963200000000 ] - [ -0.0005835200000000, 0.0000779600000000, 0.0002470300000000 ]- atom: 92 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001245500000000, 0.0005113400000000, 0.0000949400000000 ] - [ 0.0001777800000000, 0.0002576100000000, -0.0002263800000000 ] - [ -0.0001809200000000, -0.0007112600000000, -0.0006864700000000 ] - [ -0.0001278500000000, -0.0004551000000000, 0.0005440200000000 ] - [ -0.0018256100000000, -0.0024371300000000, 0.0024437800000000 ] - [ -0.0010320900000000, 0.0012439200000000, -0.0017194600000000 ] - [ 0.0010214100000000, 0.0002663600000000, -0.0021669700000000 ] - [ 0.0018833400000000, -0.0034420100000000, 0.0028501600000000 ] - [ 0.0003366800000000, -0.0003003200000000, -0.0008784200000000 ] - [ 0.0009935500000000, 0.0009070700000000, 0.0011547700000000 ] - [ -0.0007935900000000, 0.0010990700000000, -0.0001307100000000 ] - [ -0.0002216800000000, -0.0000268900000000, 0.0007226300000000 ] - [ -0.0001346800000000, -0.0001162300000000, 0.0003974400000000 ] - [ -0.0000411200000000, 0.0000748100000000, 0.0005669800000000 ] - [ 0.0000197900000000, 0.0001582000000000, -0.0005573300000000 ] - [ -0.0001603900000000, -0.0001105000000000, -0.0007112000000000 ] - [ -0.0000248500000000, -0.0000750700000000, -0.0009666300000000 ] - [ 0.0000580000000000, -0.0001508000000000, 0.0009274700000000 ] - [ 0.0001382100000000, 0.0000347400000000, -0.0003516900000000 ] - [ -0.0000903300000000, -0.0014218200000000, 0.0014313300000000 ] - [ 0.0002217700000000, 0.0001105100000000, 0.0003127700000000 ] - [ -0.0007354000000000, 0.0002861400000000, -0.0009232100000000 ] - [ -0.0000977800000000, -0.0012540100000000, 0.0001453400000000 ] - [ 0.0005478600000000, 0.0000994700000000, -0.0022081000000000 ] - [ 0.0005012400000000, 0.0000701600000000, -0.0009788400000000 ] - [ -0.0000814800000000, 0.0000697600000000, 0.0003257800000000 ] - [ -0.0009407900000000, 0.0000630800000000, -0.0002912000000000 ] - [ -0.0000369000000000, -0.0003516400000000, 0.0003469300000000 ] - [ -0.0023439700000000, -0.0010113900000000, 0.0014224000000000 ] - [ -0.0075228500000000, -0.0035803600000000, -0.0056827900000000 ] - [ -0.0005384200000000, 0.0000542800000000, -0.0000763800000000 ] - [ 0.0009273600000000, -0.0007510500000000, -0.0002929200000000 ] - [ 0.0015724700000000, 0.0008548800000000, -0.0017526700000000 ] - [ 0.0000470600000000, 0.0009807500000000, -0.0008581300000000 ] - [ -0.0005137800000000, -0.0007198700000000, 0.0016236000000000 ] - [ -0.0011761600000000, 0.0006505200000000, -0.0014190000000000 ] - [ 0.0004237900000000, 0.0004428600000000, -0.0004816800000000 ] - [ 0.0018239800000000, -0.0003644400000000, 0.0019241000000000 ] - [ 0.0006412900000000, 0.0002220900000000, 0.0006337600000000 ] - [ -0.0003234900000000, -0.0001501600000000, -0.0000213200000000 ] - [ 0.0000418300000000, -0.0001297000000000, -0.0000580000000000 ] - [ 0.0006817000000000, -0.0048226600000000, 0.0251346100000000 ] - [ 0.0004331200000000, -0.0001120400000000, 0.0006963900000000 ] - [ -0.0002059600000000, -0.0003568100000000, 0.0002082200000000 ] - [ -0.0005131200000000, 0.0004100300000000, -0.0004361900000000 ] - [ 0.0076019700000000, -0.0028003800000000, -0.0055727300000000 ] - [ 0.0001372100000000, 0.0002649800000000, -0.0004196800000000 ] - [ -0.0004960600000000, -0.0001379700000000, -0.0057602000000000 ] - [ 0.0005132100000000, 0.0001064700000000, -0.0019670300000000 ] - [ -0.0020737500000000, 0.0164873400000000, -0.0002629200000000 ] - [ 0.0013766300000000, 0.0011363300000000, -0.0002305300000000 ] - [ 0.0069459400000000, 0.0005890000000000, 0.0003254300000000 ] - [ 0.0015990300000000, 0.0011655900000000, 0.0010078800000000 ] - [ 0.0004467700000000, -0.0002998700000000, -0.0000534000000000 ] - [ -0.0000843900000000, -0.0004932200000000, -0.0013959000000000 ] - [ -0.0013586200000000, 0.0003119000000000, -0.0002405200000000 ] - [ -0.0002740500000000, -0.0002745500000000, -0.0008874200000000 ] - [ -0.0014733600000000, 0.0001479000000000, -0.0017066300000000 ] - [ -0.0004991900000000, 0.0009927700000000, 0.0022797600000000 ] - [ 0.0006606800000000, -0.0004856900000000, -0.0005462500000000 ] - [ -0.0007812700000000, -0.0032224200000000, -0.0067785100000000 ] - [ -0.0020798400000000, 0.0017465600000000, 0.0014351400000000 ] - [ 0.0006801200000000, 0.0081043200000000, 0.0045382300000000 ] - [ 0.0019098800000000, 0.0167937500000000, -0.0011748600000000 ] - [ 0.0012507800000000, -0.0037578600000000, -0.0063179600000000 ] - [ 0.0005013900000000, 0.0002643300000000, 0.0007351600000000 ] - [ -0.0065717200000000, 0.0007967700000000, 0.0006710900000000 ] - [ -0.0002015300000000, 0.0075064000000000, 0.0040602000000000 ] - [ 0.0009894800000000, -0.0004231500000000, -0.0012813800000000 ] - [ -0.0004565500000000, 0.0005189200000000, -0.0000511200000000 ] - [ -0.0003041800000000, -0.0002900300000000, -0.0017345100000000 ] - [ -0.0005107000000000, -0.0000970000000000, -0.0007018400000000 ] - [ 0.0010415100000000, 0.0008355400000000, -0.0005412800000000 ] - [ -0.0007223800000000, 0.0006148800000000, 0.0002138500000000 ] - [ 0.0005008700000000, -0.0013099200000000, -0.0003590000000000 ] - [ 0.0001843700000000, -0.0001092500000000, 0.0003797000000000 ] - [ 0.0002075900000000, -0.0003747700000000, -0.0001688400000000 ] - [ 0.0000973500000000, -0.0007614700000000, 0.0004207300000000 ] - [ 0.0030178900000000, 0.0002067500000000, 0.0007200500000000 ] - [ -0.0006494600000000, 0.0004099000000000, 0.0029873200000000 ] - [ 0.0009439300000000, 0.0003947200000000, -0.0000119800000000 ] - [ 0.0000559700000000, 0.0005018900000000, -0.0004912500000000 ] - [ -0.0002984100000000, -0.0003984400000000, 0.0000571400000000 ] - [ -0.0000679000000000, 0.0005466700000000, -0.0003334000000000 ] - [ -0.0006975000000000, 0.0008682900000000, 0.0005840900000000 ] - [ -0.0044336400000000, 0.0027927700000000, 0.0155385700000000 ] - [ -0.0023144200000000, -0.0001700600000000, 0.0004725300000000 ] - [ -0.0003676900000000, -0.0002474400000000, -0.0004305900000000 ] - [ 0.0001874700000000, 0.0004972100000000, 0.0001380300000000 ] - [ 0.0001995400000000, 0.0003403200000000, -0.0001398400000000 ] - [ -0.0000442600000000, 0.0001215600000000, 0.0006741200000000 ] - [ -0.0011629100000000, 0.0260696900000000, -0.0756219200000000 ] - [ 0.0002557000000000, -0.0004291800000000, 0.0003510200000000 ] - [ 0.0007694500000000, 0.0004580200000000, 0.0011539600000000 ] - [ 0.0153890900000000, -0.0061056100000000, 0.0063485100000000 ] - [ 0.0008181000000000, -0.0002728800000000, 0.0030237500000000 ] - [ 0.0002426700000000, -0.0009027900000000, 0.0005225800000000 ] - [ -0.0000013700000000, -0.0001036200000000, -0.0006300400000000 ] - [ -0.0012890100000000, 0.0000470400000000, 0.0030259400000000 ] - [ -0.0000424200000000, 0.0003917000000000, 0.0003340600000000 ] - [ 0.0002814200000000, 0.0002058600000000, 0.0003901000000000 ] - [ 0.0036294300000000, 0.0031436000000000, 0.0150316500000000 ] - [ -0.0003804700000000, -0.0017897800000000, 0.0040694600000000 ] - [ -0.0008978900000000, -0.0002581300000000, -0.0000194400000000 ] - [ 0.0003019900000000, 0.0002496900000000, 0.0000612000000000 ] - [ -0.0000101600000000, -0.0004917800000000, 0.0000794200000000 ] - [ 0.0007180600000000, 0.0011921700000000, 0.0031832400000000 ] - [ 0.0000378200000000, -0.0002774500000000, -0.0003080900000000 ] - [ 0.0000797200000000, 0.0000142400000000, -0.0002596000000000 ] - [ -0.0005530300000000, 0.0002110100000000, 0.0001421500000000 ] - [ -0.0014917300000000, 0.0005160800000000, -0.0005297500000000 ] - [ -0.0003367100000000, 0.0003531600000000, 0.0005340900000000 ] - [ 0.0007762100000000, 0.0010084000000000, -0.0017017400000000 ] - [ -0.0007701600000000, 0.0001395900000000, 0.0002932400000000 ] - [ 0.0000580100000000, 0.0007526500000000, -0.0008836100000000 ] - [ 0.0050139500000000, 0.0016775700000000, -0.0003133900000000 ] - [ -0.0006352500000000, -0.0000250700000000, 0.0002110000000000 ] - [ 0.0007246800000000, -0.0005127100000000, 0.0003602100000000 ] - [ -0.0002068000000000, 0.0006074200000000, -0.0000353100000000 ] - [ 0.0003769200000000, -0.0007482200000000, 0.0010103700000000 ] - [ -0.0001506200000000, -0.0001780000000000, -0.0000854400000000 ] - [ 0.0002134300000000, -0.0005166800000000, -0.0001798200000000 ] - [ -0.0004682400000000, 0.0008703900000000, 0.0000414600000000 ] - [ 0.0014182100000000, 0.0004798700000000, 0.0008107400000000 ] - [ -0.0151070200000000, -0.0058623400000000, 0.0062832100000000 ] - [ 0.0000172100000000, -0.0003299600000000, -0.0000805800000000 ] - [ 0.0001936700000000, -0.0005372900000000, 0.0001701000000000 ] - [ -0.0051057500000000, 0.0008828700000000, -0.0002390100000000 ] - [ -0.0003475300000000, 0.0000910300000000, -0.0006247000000000 ] - [ 0.0004641100000000, 0.0004976500000000, 0.0003175100000000 ] - [ 0.0003772300000000, -0.0013121500000000, -0.0012964900000000 ] - [ 0.0005440400000000, 0.0000105100000000, 0.0006746700000000 ] - [ 0.0014998100000000, -0.0143584000000000, 0.0068330000000000 ] - [ 0.0000530900000000, -0.0001229600000000, 0.0006422300000000 ] - [ -0.0000543900000000, -0.0000445100000000, 0.0002290000000000 ] - [ 0.0000678200000000, -0.0004554300000000, 0.0001523800000000 ] - [ -0.0018948400000000, -0.0003645900000000, -0.0003781200000000 ] - [ 0.0008250300000000, -0.0010240500000000, -0.0009804000000000 ] - [ 0.0013519800000000, -0.0000174500000000, 0.0007405100000000 ] - [ 0.0003948300000000, -0.0040270300000000, -0.0049115700000000 ] - [ 0.0007072700000000, 0.0000615800000000, -0.0001416200000000 ] - [ -0.0002679900000000, -0.0002262600000000, 0.0001069400000000 ] - [ 0.0007742300000000, -0.0004358700000000, 0.0000037200000000 ] - [ -0.0003796400000000, -0.0039029000000000, -0.0033871800000000 ] - [ -0.0011465900000000, -0.0136465600000000, 0.0072781700000000 ] - [ 0.0002960300000000, 0.0018226900000000, 0.0005864000000000 ] - [ 0.0000044100000000, 0.0007565700000000, 0.0008946400000000 ] - [ -0.0007695900000000, 0.0000720700000000, -0.0001798100000000 ] - [ -0.0003548800000000, -0.0008685400000000, 0.0006706900000000 ] - [ 0.0007753900000000, 0.0001559900000000, 0.0005772100000000 ] - [ 0.0002362100000000, -0.0001764000000000, -0.0002120800000000 ] - [ -0.0004576300000000, -0.0000290400000000, 0.0002490600000000 ] - [ -0.0008223300000000, 0.0001428100000000, 0.0009997900000000 ] - [ -0.0000606800000000, -0.0009540400000000, -0.0012734000000000 ] - [ 0.0000023400000000, 0.0002871200000000, 0.0002571900000000 ] - [ -0.0001875200000000, 0.0015145900000000, 0.0021550300000000 ] - [ -0.0000907700000000, 0.0003268900000000, 0.0006809900000000 ] - [ -0.0004398500000000, 0.0001689000000000, -0.0001142700000000 ] - [ -0.0003723000000000, -0.0002358700000000, 0.0002958300000000 ] - [ 0.0018993000000000, -0.0010150500000000, -0.0003796400000000 ] - [ -0.0013358000000000, 0.0006281800000000, 0.0007418000000000 ] - [ 0.0001287600000000, 0.0006217700000000, 0.0018979200000000 ] - [ 0.0000209900000000, 0.0003260400000000, 0.0003385800000000 ] - [ -0.0007469800000000, -0.0018098400000000, -0.0008019800000000 ] - [ -0.0007730800000000, -0.0014882900000000, 0.0001228600000000 ] - [ 0.0004014300000000, -0.0016497600000000, 0.0007088000000000 ] - [ -0.0001191200000000, -0.0002171900000000, -0.0006116800000000 ] - [ 0.0002619400000000, -0.0000836000000000, 0.0008576100000000 ] - [ 0.0007697600000000, 0.0001601500000000, -0.0004027500000000 ] - [ -0.0007758900000000, 0.0004983700000000, 0.0010031400000000 ] - [ 0.0001176500000000, -0.0000756700000000, -0.0015291600000000 ] - [ -0.0004225500000000, 0.0000618900000000, -0.0003565700000000 ] - [ 0.0004324000000000, 0.0010167500000000, 0.0006898800000000 ] - [ -0.0004607200000000, -0.0006279300000000, 0.0004647000000000 ] - [ 0.0138632100000000, -0.0030386500000000, 0.0023302700000000 ] - [ 0.0003716400000000, -0.0006059400000000, 0.0007121500000000 ] - [ -0.0011231900000000, -0.0020446900000000, 0.0004781800000000 ] - [ -0.0137694600000000, -0.0041437300000000, 0.0022129400000000 ] - [ 0.0003846000000000, -0.0006149500000000, 0.0004333800000000 ] - [ -0.0000011500000000, -0.0003368100000000, 0.0000774100000000 ] - [ 0.0002305200000000, 0.0001380500000000, -0.0002227700000000 ] - [ -0.0004627500000000, -0.0049786900000000, -0.0045955000000000 ] - [ 0.0000916100000000, 0.0009398400000000, 0.0009039500000000 ] - [ 0.0003411300000000, -0.0007228900000000, -0.0001737200000000 ]