# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e99a1123-ff4b-43f9-b9e4-fdb9610c13b2/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 Er2GeO5 / P2_1/c (14) / materials id 773910](https://mdr.nims.go.jp/datasets/03f3bf00-37f7-41bd-b6fc-f002411894a0) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 9.180212310000000, 0.000000000000000, 0.509838910000000 ] # a - [ 0.000000000000000, 6.825623260000000, 0.000000000000000 ] # b - [ -1.319133240000000, 0.000000000000000, 6.536385010000000 ] # c points: - symbol: Er # 1 coordinates: [ 0.847790660000000, 0.643966020000000, 0.977755510000000 ] mass: 167.259000 - symbol: Er # 2 coordinates: [ 0.847790660000000, 0.856033980000000, 0.477755510000000 ] mass: 167.259000 - symbol: Er # 3 coordinates: [ 0.531898710000000, 0.618857300000000, 0.228245930000000 ] mass: 167.259000 - symbol: Er # 4 coordinates: [ 0.468101290000000, 0.118857300000000, 0.271754070000000 ] mass: 167.259000 - symbol: Er # 5 coordinates: [ 0.531898710000000, 0.881142700000000, 0.728245930000000 ] mass: 167.259000 - symbol: Er # 6 coordinates: [ 0.468101290000000, 0.381142700000000, 0.771754070000000 ] mass: 167.259000 - symbol: Er # 7 coordinates: [ 0.152209340000000, 0.143966020000000, 0.522244490000000 ] mass: 167.259000 - symbol: Er # 8 coordinates: [ 0.152209340000000, 0.356033980000000, 0.022244490000000 ] mass: 167.259000 - symbol: Ge # 9 coordinates: [ 0.799839500000000, 0.103444130000000, 0.982067560000000 ] mass: 72.640000 - symbol: Ge # 10 coordinates: [ 0.799839500000000, 0.396555870000000, 0.482067560000000 ] mass: 72.640000 - symbol: Ge # 11 coordinates: [ 0.200160500000000, 0.603444130000000, 0.517932440000000 ] mass: 72.640000 - symbol: Ge # 12 coordinates: [ 0.200160500000000, 0.896555870000000, 0.017932440000000 ] mass: 72.640000 - symbol: O # 13 coordinates: [ 0.902742630000000, 0.183679860000000, 0.486609190000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.864097620000000, 0.926090490000000, 0.161490720000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.780586180000000, 0.569859600000000, 0.276739860000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.902742630000000, 0.316320140000000, 0.986609190000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.606274130000000, 0.353274290000000, 0.468869880000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.604755250000000, 0.880168270000000, 0.414335600000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.864097620000000, 0.573909510000000, 0.661490720000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.780586180000000, 0.930140400000000, 0.776739860000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.606274130000000, 0.146725710000000, 0.968869880000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.604755250000000, 0.619831730000000, 0.914335600000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.395244750000000, 0.380168270000000, 0.085664400000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.393725870000000, 0.853274290000000, 0.031130120000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.219413820000000, 0.069859600000000, 0.223260140000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.135902380000000, 0.426090490000000, 0.338509280000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.395244750000000, 0.119831730000000, 0.585664400000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.393725870000000, 0.646725710000000, 0.531130120000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.097257370000000, 0.683679860000000, 0.013390810000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.219413820000000, 0.430140400000000, 0.723260140000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.135902380000000, 0.073909510000000, 0.838509280000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.097257370000000, 0.816320140000000, 0.513390810000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.107722579127307, 0.000000000000000, 0.021739911986207 ] # a* - [ 0.000000000000000, 0.146506767500672, 0.000000000000000 ] # b* - [ -0.008402375661873, 0.000000000000000, 0.151294047926570 ] # c*unit_cell: lattice: - [ 9.180212310000000, 0.000000000000000, 0.509838910000000 ] # a - [ 0.000000000000000, 6.825623260000000, 0.000000000000000 ] # b - [ -1.319133240000000, 0.000000000000000, 6.536385010000000 ] # c points: - symbol: Er # 1 coordinates: [ 0.847790660000000, 0.643966020000000, 0.977755510000000 ] mass: 167.259000 reduced_to: 1 - symbol: Er # 2 coordinates: [ 0.847790660000000, 0.856033980000000, 0.477755510000000 ] mass: 167.259000 reduced_to: 2 - symbol: Er # 3 coordinates: [ 0.531898710000000, 0.618857300000000, 0.228245930000000 ] mass: 167.259000 reduced_to: 3 - symbol: Er # 4 coordinates: [ 0.468101290000000, 0.118857300000000, 0.271754070000000 ] mass: 167.259000 reduced_to: 4 - symbol: Er # 5 coordinates: [ 0.531898710000000, 0.881142700000000, 0.728245930000000 ] mass: 167.259000 reduced_to: 5 - symbol: Er # 6 coordinates: [ 0.468101290000000, 0.381142700000000, 0.771754070000000 ] mass: 167.259000 reduced_to: 6 - symbol: Er # 7 coordinates: [ 0.152209340000000, 0.143966020000000, 0.522244490000000 ] mass: 167.259000 reduced_to: 7 - symbol: Er # 8 coordinates: [ 0.152209340000000, 0.356033980000000, 0.022244490000000 ] mass: 167.259000 reduced_to: 8 - symbol: Ge # 9 coordinates: [ 0.799839500000000, 0.103444130000000, 0.982067560000000 ] mass: 72.640000 reduced_to: 9 - symbol: Ge # 10 coordinates: [ 0.799839500000000, 0.396555870000000, 0.482067560000000 ] mass: 72.640000 reduced_to: 10 - symbol: Ge # 11 coordinates: [ 0.200160500000000, 0.603444130000000, 0.517932440000000 ] mass: 72.640000 reduced_to: 11 - symbol: Ge # 12 coordinates: [ 0.200160500000000, 0.896555870000000, 0.017932440000000 ] mass: 72.640000 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.902742630000000, 0.183679860000000, 0.486609190000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.864097620000000, 0.926090490000000, 0.161490720000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.780586180000000, 0.569859600000000, 0.276739860000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.902742630000000, 0.316320140000000, 0.986609190000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.606274130000000, 0.353274290000000, 0.468869880000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.604755250000000, 0.880168270000000, 0.414335600000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.864097620000000, 0.573909510000000, 0.661490720000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.780586180000000, 0.930140400000000, 0.776739860000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.606274130000000, 0.146725710000000, 0.968869880000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.604755250000000, 0.619831730000000, 0.914335600000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.395244750000000, 0.380168270000000, 0.085664400000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.393725870000000, 0.853274290000000, 0.031130120000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.219413820000000, 0.069859600000000, 0.223260140000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.135902380000000, 0.426090490000000, 0.338509280000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.395244750000000, 0.119831730000000, 0.585664400000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.393725870000000, 0.646725710000000, 0.531130120000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.097257370000000, 0.683679860000000, 0.013390810000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.219413820000000, 0.430140400000000, 0.723260140000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.135902380000000, 0.073909510000000, 0.838509280000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.097257370000000, 0.816320140000000, 0.513390810000000 ] mass: 15.999400 reduced_to: 32supercell: lattice: - [ 9.180212310000000, 0.000000000000000, 0.509838910000000 ] # a - [ 0.000000000000000, 13.651246520000001, 0.000000000000000 ] # b - [ -2.638266480000000, 0.000000000000000, 13.072770020000000 ] # c points: - symbol: Er # 1 coordinates: [ 0.847790660000000, 0.321983010000000, 0.488877755000000 ] mass: 167.259000 reduced_to: 1 - symbol: Er # 2 coordinates: [ 0.847790660000000, 0.821983010000000, 0.488877755000000 ] mass: 167.259000 reduced_to: 1 - symbol: Er # 3 coordinates: [ 0.847790660000000, 0.321983010000000, 0.988877755000000 ] mass: 167.259000 reduced_to: 1 - symbol: Er # 4 coordinates: [ 0.847790660000000, 0.821983010000000, 0.988877755000000 ] mass: 167.259000 reduced_to: 1 - symbol: Er # 5 coordinates: [ 0.847790660000000, 0.428016990000000, 0.238877755000000 ] mass: 167.259000 reduced_to: 5 - symbol: Er # 6 coordinates: [ 0.847790660000000, 0.928016990000000, 0.238877755000000 ] mass: 167.259000 reduced_to: 5 - symbol: Er # 7 coordinates: [ 0.847790660000000, 0.428016990000000, 0.738877755000000 ] mass: 167.259000 reduced_to: 5 - symbol: Er # 8 coordinates: [ 0.847790660000000, 0.928016990000000, 0.738877755000000 ] mass: 167.259000 reduced_to: 5 - symbol: Er # 9 coordinates: [ 0.531898710000000, 0.309428650000000, 0.114122965000000 ] mass: 167.259000 reduced_to: 9 - symbol: Er # 10 coordinates: [ 0.531898710000000, 0.809428650000000, 0.114122965000000 ] mass: 167.259000 reduced_to: 9 - symbol: Er # 11 coordinates: [ 0.531898710000000, 0.309428650000000, 0.614122965000000 ] mass: 167.259000 reduced_to: 9 - symbol: Er # 12 coordinates: [ 0.531898710000000, 0.809428650000000, 0.614122965000000 ] mass: 167.259000 reduced_to: 9 - symbol: Er # 13 coordinates: [ 0.468101290000000, 0.059428650000000, 0.135877035000000 ] mass: 167.259000 reduced_to: 13 - symbol: Er # 14 coordinates: [ 0.468101290000000, 0.559428650000000, 0.135877035000000 ] mass: 167.259000 reduced_to: 13 - symbol: Er # 15 coordinates: [ 0.468101290000000, 0.059428650000000, 0.635877035000000 ] mass: 167.259000 reduced_to: 13 - symbol: Er # 16 coordinates: [ 0.468101290000000, 0.559428650000000, 0.635877035000000 ] mass: 167.259000 reduced_to: 13 - symbol: Er # 17 coordinates: [ 0.531898710000000, 0.440571350000000, 0.364122965000000 ] mass: 167.259000 reduced_to: 17 - symbol: Er # 18 coordinates: [ 0.531898710000000, 0.940571350000000, 0.364122965000000 ] mass: 167.259000 reduced_to: 17 - symbol: Er # 19 coordinates: [ 0.531898710000000, 0.440571350000000, 0.864122965000000 ] mass: 167.259000 reduced_to: 17 - symbol: Er # 20 coordinates: [ 0.531898710000000, 0.940571350000000, 0.864122965000000 ] mass: 167.259000 reduced_to: 17 - symbol: Er # 21 coordinates: [ 0.468101290000000, 0.190571350000000, 0.385877035000000 ] mass: 167.259000 reduced_to: 21 - symbol: Er # 22 coordinates: [ 0.468101290000000, 0.690571350000000, 0.385877035000000 ] mass: 167.259000 reduced_to: 21 - symbol: Er # 23 coordinates: [ 0.468101290000000, 0.190571350000000, 0.885877035000000 ] mass: 167.259000 reduced_to: 21 - symbol: Er # 24 coordinates: [ 0.468101290000000, 0.690571350000000, 0.885877035000000 ] mass: 167.259000 reduced_to: 21 - symbol: Er # 25 coordinates: [ 0.152209340000000, 0.071983010000000, 0.261122245000000 ] mass: 167.259000 reduced_to: 25 - symbol: Er # 26 coordinates: [ 0.152209340000000, 0.571983010000000, 0.261122245000000 ] mass: 167.259000 reduced_to: 25 - symbol: Er # 27 coordinates: [ 0.152209340000000, 0.071983010000000, 0.761122245000000 ] mass: 167.259000 reduced_to: 25 - symbol: Er # 28 coordinates: [ 0.152209340000000, 0.571983010000000, 0.761122245000000 ] mass: 167.259000 reduced_to: 25 - symbol: Er # 29 coordinates: [ 0.152209340000000, 0.178016990000000, 0.011122245000000 ] mass: 167.259000 reduced_to: 29 - symbol: Er # 30 coordinates: [ 0.152209340000000, 0.678016990000000, 0.011122245000000 ] mass: 167.259000 reduced_to: 29 - symbol: Er # 31 coordinates: [ 0.152209340000000, 0.178016990000000, 0.511122245000000 ] mass: 167.259000 reduced_to: 29 - symbol: Er # 32 coordinates: [ 0.152209340000000, 0.678016990000000, 0.511122245000000 ] mass: 167.259000 reduced_to: 29 - symbol: Ge # 33 coordinates: [ 0.799839500000000, 0.051722065000000, 0.491033780000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 34 coordinates: [ 0.799839500000000, 0.551722065000000, 0.491033780000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 35 coordinates: [ 0.799839500000000, 0.051722065000000, 0.991033780000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 36 coordinates: [ 0.799839500000000, 0.551722065000000, 0.991033780000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 37 coordinates: [ 0.799839500000000, 0.198277935000000, 0.241033780000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 38 coordinates: [ 0.799839500000000, 0.698277935000000, 0.241033780000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 39 coordinates: [ 0.799839500000000, 0.198277935000000, 0.741033780000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 40 coordinates: [ 0.799839500000000, 0.698277935000000, 0.741033780000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 41 coordinates: [ 0.200160500000000, 0.301722065000000, 0.258966220000000 ] mass: 72.640000 reduced_to: 41 - symbol: Ge # 42 coordinates: [ 0.200160500000000, 0.801722065000000, 0.258966220000000 ] mass: 72.640000 reduced_to: 41 - symbol: Ge # 43 coordinates: [ 0.200160500000000, 0.301722065000000, 0.758966220000000 ] mass: 72.640000 reduced_to: 41 - symbol: Ge # 44 coordinates: [ 0.200160500000000, 0.801722065000000, 0.758966220000000 ] mass: 72.640000 reduced_to: 41 - symbol: Ge # 45 coordinates: [ 0.200160500000000, 0.448277935000000, 0.008966220000000 ] mass: 72.640000 reduced_to: 45 - symbol: Ge # 46 coordinates: [ 0.200160500000000, 0.948277935000000, 0.008966220000000 ] mass: 72.640000 reduced_to: 45 - symbol: Ge # 47 coordinates: [ 0.200160500000000, 0.448277935000000, 0.508966220000000 ] mass: 72.640000 reduced_to: 45 - symbol: Ge # 48 coordinates: [ 0.200160500000000, 0.948277935000000, 0.508966220000000 ] mass: 72.640000 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.902742630000000, 0.091839930000000, 0.243304595000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.902742630000000, 0.591839930000000, 0.243304595000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.902742630000000, 0.091839930000000, 0.743304595000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.902742630000000, 0.591839930000000, 0.743304595000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.864097620000000, 0.463045245000000, 0.080745360000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.864097620000000, 0.963045245000000, 0.080745360000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.864097620000000, 0.463045245000000, 0.580745360000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.864097620000000, 0.963045245000000, 0.580745360000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.780586180000000, 0.284929800000000, 0.138369930000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.780586180000000, 0.784929800000000, 0.138369930000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.780586180000000, 0.284929800000000, 0.638369930000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.780586180000000, 0.784929800000000, 0.638369930000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.902742630000000, 0.158160070000000, 0.493304595000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.902742630000000, 0.658160070000000, 0.493304595000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.902742630000000, 0.158160070000000, 0.993304595000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.902742630000000, 0.658160070000000, 0.993304595000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.606274130000000, 0.176637145000000, 0.234434940000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.606274130000000, 0.676637145000000, 0.234434940000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.606274130000000, 0.176637145000000, 0.734434940000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.606274130000000, 0.676637145000000, 0.734434940000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.604755250000000, 0.440084135000000, 0.207167800000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.604755250000000, 0.940084135000000, 0.207167800000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.604755250000000, 0.440084135000000, 0.707167800000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.604755250000000, 0.940084135000000, 0.707167800000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.864097620000000, 0.286954755000000, 0.330745360000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.864097620000000, 0.786954755000000, 0.330745360000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.864097620000000, 0.286954755000000, 0.830745360000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.864097620000000, 0.786954755000000, 0.830745360000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.780586180000000, 0.465070200000000, 0.388369930000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.780586180000000, 0.965070200000000, 0.388369930000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.780586180000000, 0.465070200000000, 0.888369930000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.780586180000000, 0.965070200000000, 0.888369930000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.606274130000000, 0.073362855000000, 0.484434940000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.606274130000000, 0.573362855000000, 0.484434940000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.606274130000000, 0.073362855000000, 0.984434940000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.606274130000000, 0.573362855000000, 0.984434940000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.604755250000000, 0.309915865000000, 0.457167800000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.604755250000000, 0.809915865000000, 0.457167800000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.604755250000000, 0.309915865000000, 0.957167800000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.604755250000000, 0.809915865000000, 0.957167800000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.395244750000000, 0.190084135000000, 0.042832200000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.395244750000000, 0.690084135000000, 0.042832200000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.395244750000000, 0.190084135000000, 0.542832200000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.395244750000000, 0.690084135000000, 0.542832200000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.393725870000000, 0.426637145000000, 0.015565060000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.393725870000000, 0.926637145000000, 0.015565060000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.393725870000000, 0.426637145000000, 0.515565060000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.393725870000000, 0.926637145000000, 0.515565060000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.219413820000000, 0.034929800000000, 0.111630070000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.219413820000000, 0.534929800000000, 0.111630070000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.219413820000000, 0.034929800000000, 0.611630070000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.219413820000000, 0.534929800000000, 0.611630070000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.135902380000000, 0.213045245000000, 0.169254640000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.135902380000000, 0.713045245000000, 0.169254640000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.135902380000000, 0.213045245000000, 0.669254640000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.135902380000000, 0.713045245000000, 0.669254640000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.395244750000000, 0.059915865000000, 0.292832200000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.395244750000000, 0.559915865000000, 0.292832200000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.395244750000000, 0.059915865000000, 0.792832200000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.395244750000000, 0.559915865000000, 0.792832200000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.393725870000000, 0.323362855000000, 0.265565060000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.393725870000000, 0.823362855000000, 0.265565060000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.393725870000000, 0.323362855000000, 0.765565060000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.393725870000000, 0.823362855000000, 0.765565060000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.097257370000000, 0.341839930000000, 0.006695405000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.097257370000000, 0.841839930000000, 0.006695405000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.097257370000000, 0.341839930000000, 0.506695405000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 116 coordinates: [ 0.097257370000000, 0.841839930000000, 0.506695405000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 117 coordinates: [ 0.219413820000000, 0.215070200000000, 0.361630070000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.219413820000000, 0.715070200000000, 0.361630070000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.219413820000000, 0.215070200000000, 0.861630070000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 120 coordinates: [ 0.219413820000000, 0.715070200000000, 0.861630070000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 121 coordinates: [ 0.135902380000000, 0.036954755000000, 0.419254640000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.135902380000000, 0.536954755000000, 0.419254640000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.135902380000000, 0.036954755000000, 0.919254640000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.135902380000000, 0.536954755000000, 0.919254640000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.097257370000000, 0.408160070000000, 0.256695405000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.097257370000000, 0.908160070000000, 0.256695405000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.097257370000000, 0.408160070000000, 0.756695405000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 128 coordinates: [ 0.097257370000000, 0.908160070000000, 0.756695405000000 ] mass: 15.999400 reduced_to: 125displacements:- atom: 1 displacement: [ 0.0099846139444728, 0.0000000000000000, 0.0005545127409173 ] forces: - [ -0.1586728900000000, 0.0086716300000000, 0.0055383100000000 ] - [ -0.0016826700000000, -0.0018203100000000, -0.0025494000000000 ] - [ -0.0007870800000000, -0.0012083500000000, -0.0047038200000000 ] - [ -0.0010831800000000, -0.0010871100000000, -0.0026381800000000 ] - [ -0.0062136500000000, 0.0056063800000000, -0.0060244000000000 ] - [ -0.0014613000000000, 0.0003376500000000, -0.0030241500000000 ] - [ -0.0061915500000000, -0.0037565000000000, -0.0059222000000000 ] - [ -0.0015161800000000, 0.0020241200000000, -0.0019005400000000 ] - [ 0.0008318000000000, 0.0002537000000000, 0.0001211100000000 ] - [ 0.0016761800000000, -0.0004446900000000, -0.0010639500000000 ] - [ 0.0265556500000000, -0.0016984400000000, -0.0175769000000000 ] - [ 0.0021876600000000, -0.0001397500000000, -0.0009124100000000 ] - [ -0.0017486700000000, -0.0000232000000000, 0.0018244000000000 ] - [ -0.0013465900000000, -0.0011880100000000, 0.0022910700000000 ] - [ 0.0007251900000000, 0.0021421700000000, 0.0008849800000000 ] - [ 0.0026168700000000, -0.0014816800000000, 0.0023312500000000 ] - [ 0.0155243300000000, -0.0201694000000000, 0.0156704400000000 ] - [ 0.0012097200000000, 0.0017929300000000, -0.0011229000000000 ] - [ 0.0030567300000000, 0.0000217100000000, -0.0018003100000000 ] - [ 0.0020012100000000, 0.0007451500000000, -0.0011736600000000 ] - [ 0.0137126400000000, 0.0168677000000000, 0.0131165300000000 ] - [ -0.0004536100000000, -0.0009538000000000, 0.0008546600000000 ] - [ -0.0000580300000000, 0.0003068600000000, 0.0006346600000000 ] - [ -0.0013409800000000, 0.0003207500000000, 0.0014784300000000 ] - [ 0.0032146100000000, -0.0019576300000000, 0.0013201900000000 ] - [ 0.0033571800000000, 0.0004449200000000, -0.0009304200000000 ] - [ -0.0002810000000000, -0.0030745300000000, 0.0043483600000000 ] - [ -0.0003160700000000, 0.0002250700000000, 0.0048449400000000 ] - [ 0.0008853700000000, 0.0010609700000000, 0.0024665600000000 ] - [ 0.0009630300000000, 0.0011290400000000, 0.0025307100000000 ] - [ 0.0244779300000000, -0.0263241600000000, 0.0054074800000000 ] - [ 0.0002448800000000, 0.0045516500000000, 0.0029649900000000 ] - [ -0.0081375300000000, -0.0001103600000000, -0.0010668300000000 ] - [ -0.0061426600000000, -0.0055747100000000, -0.0035898900000000 ] - [ -0.0010205900000000, 0.0013209400000000, -0.0015784700000000 ] - [ -0.0010996700000000, 0.0005978400000000, -0.0015893100000000 ] - [ -0.0054670700000000, -0.0037555900000000, -0.0052369300000000 ] - [ -0.0015666700000000, -0.0013009700000000, -0.0010213400000000 ] - [ -0.0012991700000000, 0.0059010700000000, -0.0097545000000000 ] - [ -0.0008463200000000, -0.0013764100000000, -0.0009426600000000 ] - [ 0.0076171800000000, 0.0003073900000000, -0.0024361900000000 ] - [ 0.0014789100000000, 0.0011096600000000, 0.0005067100000000 ] - [ 0.0033901400000000, 0.0017306400000000, 0.0084114000000000 ] - [ 0.0012066700000000, 0.0013189300000000, 0.0015636900000000 ] - [ 0.0013837700000000, -0.0013113100000000, 0.0013306500000000 ] - [ 0.0010726600000000, -0.0009322800000000, 0.0010742100000000 ] - [ 0.0263514600000000, 0.0242544900000000, 0.0042720700000000 ] - [ 0.0019969400000000, -0.0021266600000000, 0.0014513800000000 ] - [ -0.0001192600000000, 0.0028695700000000, 0.0014035300000000 ] - [ 0.0008884300000000, 0.0011308200000000, 0.0001307300000000 ] - [ 0.0023080100000000, -0.0015575200000000, 0.0010499700000000 ] - [ 0.0004920700000000, 0.0023440300000000, 0.0003228900000000 ] - [ 0.0008349400000000, -0.0007541200000000, 0.0025655200000000 ] - [ 0.0006919400000000, -0.0008039400000000, 0.0023190900000000 ] - [ 0.0102206300000000, 0.0007600300000000, 0.0026689900000000 ] - [ 0.0016078200000000, 0.0005688600000000, 0.0010426600000000 ] - [ -0.0002831300000000, -0.0004495400000000, 0.0031201000000000 ] - [ -0.0008333300000000, 0.0002919900000000, 0.0001404400000000 ] - [ 0.0141660600000000, 0.0032544300000000, -0.0110845500000000 ] - [ -0.0008698800000000, 0.0003688900000000, -0.0001379000000000 ] - [ 0.0115128300000000, -0.0029689900000000, 0.0009728700000000 ] - [ 0.0017329700000000, 0.0000667200000000, 0.0005977900000000 ] - [ 0.0000686000000000, -0.0015704100000000, 0.0006792300000000 ] - [ 0.0001804400000000, -0.0011199900000000, 0.0003174900000000 ] - [ 0.0046440000000000, -0.0004114500000000, -0.0008411700000000 ] - [ 0.0019021900000000, 0.0001174700000000, 0.0001228900000000 ] - [ -0.0007783900000000, -0.0025106400000000, 0.0023095500000000 ] - [ 0.0014234800000000, -0.0000879900000000, 0.0000941500000000 ] - [ 0.0027592500000000, -0.0000364500000000, -0.0009787800000000 ] - [ 0.0016604900000000, -0.0003705200000000, 0.0014425400000000 ] - [ -0.0002803300000000, 0.0034720500000000, 0.0032725000000000 ] - [ 0.0012381800000000, -0.0008119600000000, 0.0014250900000000 ] - [ 0.0103172900000000, 0.0002710600000000, -0.0045175600000000 ] - [ 0.0007829600000000, 0.0010617400000000, 0.0019460400000000 ] - [ 0.0011401200000000, 0.0018020900000000, 0.0070038400000000 ] - [ 0.0006820000000000, 0.0008147500000000, 0.0019024900000000 ] - [ 0.0121624800000000, 0.0003819400000000, 0.0006160100000000 ] - [ 0.0003759200000000, 0.0007415400000000, 0.0003345300000000 ] - [ -0.0011877200000000, 0.0002651500000000, 0.0010644800000000 ] - [ -0.0009841600000000, -0.0004349300000000, 0.0001875000000000 ] - [ 0.0041049300000000, -0.0034809400000000, 0.0008359000000000 ] - [ 0.0014941300000000, 0.0023916300000000, 0.0011551000000000 ] - [ 0.0016512200000000, 0.0000959600000000, 0.0002925400000000 ] - [ 0.0015418500000000, 0.0004881400000000, 0.0001425500000000 ] - [ 0.0310121500000000, 0.0004611900000000, 0.0055761900000000 ] - [ 0.0013937300000000, 0.0003119800000000, 0.0015680300000000 ] - [ 0.0010773700000000, 0.0001019100000000, 0.0016355200000000 ] - [ 0.0011703300000000, 0.0000823000000000, 0.0013393600000000 ] - [ -0.0016537700000000, -0.0003238100000000, -0.0016175400000000 ] - [ -0.0013863600000000, 0.0000713400000000, -0.0016444300000000 ] - [ -0.0102059900000000, -0.0032349000000000, -0.0008562300000000 ] - [ -0.0025778300000000, -0.0004497300000000, -0.0013874200000000 ] - [ -0.0021057000000000, -0.0000843100000000, -0.0005017000000000 ] - [ -0.0017705900000000, -0.0003000600000000, -0.0002663600000000 ] - [ -0.0154145200000000, 0.0011344800000000, -0.0010450100000000 ] - [ -0.0026775600000000, -0.0003540500000000, -0.0003980300000000 ] - [ 0.0005362300000000, 0.0002427800000000, -0.0000953200000000 ] - [ 0.0002214000000000, 0.0002475900000000, 0.0002121000000000 ] - [ -0.0004810100000000, 0.0016162300000000, -0.0010659400000000 ] - [ -0.0022893400000000, -0.0051233100000000, -0.0031202400000000 ] - [ -0.0015153600000000, -0.0008407400000000, -0.0012341100000000 ] - [ -0.0007555300000000, -0.0009668000000000, -0.0015301800000000 ] - [ -0.0021417200000000, 0.0026714700000000, -0.0084474300000000 ] - [ -0.0002436300000000, -0.0015129300000000, -0.0025764900000000 ] - [ -0.0024657800000000, -0.0030740300000000, -0.0038649500000000 ] - [ -0.0047532300000000, 0.0036152000000000, -0.0031632300000000 ] - [ -0.0022203700000000, -0.0000872000000000, -0.0014410000000000 ] - [ -0.0022487500000000, 0.0004513000000000, -0.0021745700000000 ] - [ -0.0061207300000000, -0.0001468300000000, -0.0041122300000000 ] - [ -0.0021761500000000, 0.0000473000000000, -0.0002559300000000 ] - [ -0.0048534800000000, 0.0002747400000000, -0.0000563500000000 ] - [ -0.0019405200000000, 0.0001229800000000, -0.0003934900000000 ] - [ 0.0001925800000000, 0.0014164000000000, -0.0000644200000000 ] - [ 0.0000257800000000, 0.0012642500000000, -0.0001818100000000 ] - [ 0.0204521000000000, 0.0011129200000000, 0.0021469800000000 ] - [ 0.0002086300000000, 0.0012604400000000, -0.0002035600000000 ] - [ -0.0056787300000000, 0.0020435000000000, 0.0027199900000000 ] - [ 0.0000299400000000, -0.0010231100000000, 0.0006830400000000 ] - [ 0.0005176600000000, 0.0000426600000000, -0.0018469200000000 ] - [ 0.0008501100000000, -0.0003065400000000, -0.0004256800000000 ] - [ -0.0016774800000000, 0.0030562400000000, -0.0005850600000000 ] - [ -0.0033027500000000, -0.0069541200000000, 0.0013475700000000 ] - [ -0.0004272300000000, 0.0008459800000000, -0.0021873400000000 ] - [ -0.0005256400000000, 0.0007890600000000, -0.0025436000000000 ] - [ -0.0019279200000000, -0.0012665900000000, 0.0023570100000000 ] - [ -0.0001387000000000, -0.0011213500000000, 0.0000557500000000 ] - [ 0.0014057100000000, -0.0022782100000000, -0.0026074600000000 ] - [ 0.0003280100000000, -0.0012526000000000, -0.0003463400000000 ]- atom: 1 displacement: [ -0.0099846139444728, 0.0000000000000000, -0.0005545127409173 ] forces: - [ 0.1577784300000000, -0.0107555900000000, -0.0105247100000000 ] - [ -0.0003044500000000, -0.0003086400000000, -0.0024007300000000 ] - [ -0.0012078700000000, -0.0009207100000000, -0.0002421000000000 ] - [ -0.0009084300000000, -0.0010469100000000, -0.0023085500000000 ] - [ 0.0041671000000000, -0.0035137800000000, 0.0011528000000000 ] - [ -0.0005352100000000, 0.0018049800000000, -0.0019195100000000 ] - [ 0.0042199800000000, 0.0058628600000000, 0.0008845200000000 ] - [ -0.0004666600000000, 0.0001062900000000, -0.0030620600000000 ] - [ 0.0025860200000000, -0.0009611400000000, -0.0023732400000000 ] - [ 0.0017262300000000, -0.0002705500000000, -0.0011721800000000 ] - [ -0.0233781700000000, 0.0009714500000000, 0.0155672200000000 ] - [ 0.0012174600000000, -0.0005680000000000, -0.0013297300000000 ] - [ -0.0016350800000000, -0.0006786600000000, 0.0004212400000000 ] - [ -0.0020404100000000, 0.0004820600000000, -0.0000478600000000 ] - [ -0.0041115200000000, -0.0028731200000000, 0.0013759600000000 ] - [ -0.0059803000000000, 0.0007909400000000, -0.0000732100000000 ] - [ -0.0122091800000000, 0.0210756900000000, -0.0180924100000000 ] - [ 0.0022042200000000, -0.0010943400000000, -0.0011197800000000 ] - [ 0.0003524300000000, 0.0006847900000000, -0.0004330900000000 ] - [ 0.0014004700000000, -0.0000356600000000, -0.0010763300000000 ] - [ -0.0171926800000000, -0.0162829000000000, -0.0109491300000000 ] - [ -0.0029240800000000, 0.0016679200000000, 0.0013934700000000 ] - [ -0.0033312400000000, 0.0003964900000000, 0.0016228000000000 ] - [ -0.0020481800000000, 0.0003860200000000, 0.0007728700000000 ] - [ -0.0012566600000000, -0.0001772200000000, 0.0036261400000000 ] - [ -0.0013789100000000, -0.0025542500000000, 0.0058453200000000 ] - [ 0.0022597500000000, 0.0009277000000000, 0.0006056300000000 ] - [ 0.0022836100000000, -0.0023421800000000, 0.0001098500000000 ] - [ 0.0011016200000000, 0.0010672400000000, 0.0024722900000000 ] - [ 0.0010171200000000, 0.0009925900000000, 0.0024214200000000 ] - [ -0.0223297400000000, 0.0281132100000000, -0.0004196100000000 ] - [ 0.0017154600000000, -0.0023883700000000, 0.0019926000000000 ] - [ 0.0064178300000000, 0.0021145100000000, -0.0008682800000000 ] - [ 0.0044092800000000, 0.0073497500000000, 0.0016661100000000 ] - [ -0.0007688300000000, 0.0006167600000000, -0.0003628300000000 ] - [ -0.0006916400000000, 0.0013345400000000, -0.0003517800000000 ] - [ 0.0036973000000000, 0.0018802200000000, 0.0033897700000000 ] - [ -0.0002238100000000, -0.0006463900000000, -0.0009089000000000 ] - [ -0.0004722800000000, -0.0077994900000000, 0.0077878600000000 ] - [ -0.0009339800000000, -0.0005699800000000, -0.0010023700000000 ] - [ -0.0058323200000000, 0.0016280500000000, 0.0043303900000000 ] - [ 0.0003138100000000, 0.0008243400000000, 0.0014280700000000 ] - [ -0.0015992100000000, 0.0002078000000000, -0.0064273400000000 ] - [ 0.0005807800000000, 0.0006268500000000, 0.0003814500000000 ] - [ 0.0004096700000000, -0.0006255700000000, 0.0006092600000000 ] - [ 0.0007205500000000, -0.0010046000000000, 0.0008576400000000 ] - [ -0.0243068100000000, -0.0259880400000000, -0.0022810600000000 ] - [ -0.0002071700000000, 0.0001815600000000, 0.0004889700000000 ] - [ 0.0001536100000000, -0.0003353300000000, -0.0010051600000000 ] - [ -0.0008880000000000, 0.0014901900000000, 0.0002798600000000 ] - [ -0.0023359500000000, 0.0041788200000000, -0.0006350300000000 ] - [ -0.0005082100000000, 0.0002954800000000, 0.0000827400000000 ] - [ 0.0004062200000000, -0.0008360300000000, 0.0011540300000000 ] - [ 0.0005587200000000, -0.0007998800000000, 0.0014157200000000 ] - [ -0.0090330000000000, -0.0024230800000000, 0.0009455200000000 ] - [ -0.0003739700000000, -0.0022041500000000, 0.0027008600000000 ] - [ -0.0017228800000000, 0.0008284300000000, -0.0030997800000000 ] - [ -0.0011682800000000, 0.0000583500000000, -0.0000616400000000 ] - [ -0.0162710500000000, -0.0030083000000000, 0.0115141900000000 ] - [ -0.0011323300000000, -0.0000228200000000, 0.0002274700000000 ] - [ -0.0115747500000000, 0.0004270300000000, -0.0005729500000000 ] - [ -0.0017372300000000, -0.0026581900000000, -0.0001932500000000 ] - [ -0.0000723100000000, -0.0010393700000000, -0.0002789000000000 ] - [ -0.0001880900000000, -0.0014743500000000, 0.0000873700000000 ] - [ -0.0014333600000000, -0.0000763800000000, 0.0012541000000000 ] - [ 0.0013621900000000, -0.0005921000000000, 0.0002930900000000 ] - [ 0.0040523700000000, 0.0020316100000000, -0.0018935000000000 ] - [ 0.0018512700000000, -0.0003884600000000, 0.0003222400000000 ] - [ -0.0003881800000000, -0.0002603500000000, 0.0036929900000000 ] - [ 0.0007341900000000, 0.0000684500000000, 0.0012742900000000 ] - [ 0.0026533200000000, -0.0037828100000000, -0.0005757900000000 ] - [ 0.0011529900000000, 0.0005185600000000, 0.0012895900000000 ] - [ -0.0091541300000000, 0.0013954100000000, 0.0083842700000000 ] - [ 0.0004608200000000, 0.0005338500000000, 0.0017709400000000 ] - [ 0.0000953600000000, -0.0002393300000000, -0.0032665600000000 ] - [ 0.0005579700000000, 0.0007568200000000, 0.0018035000000000 ] - [ -0.0142109900000000, -0.0006689500000000, -0.0005474500000000 ] - [ -0.0023824300000000, -0.0011307900000000, -0.0002785700000000 ] - [ -0.0008257800000000, -0.0006086700000000, -0.0009803000000000 ] - [ -0.0010155300000000, 0.0000686500000000, -0.0001280700000000 ] - [ -0.0008962800000000, 0.0039942400000000, -0.0004233500000000 ] - [ 0.0017580900000000, -0.0019148400000000, -0.0007403700000000 ] - [ 0.0016119600000000, 0.0003883900000000, 0.0001240100000000 ] - [ 0.0017332900000000, -0.0000090100000000, 0.0002783600000000 ] - [ -0.0318453800000000, -0.0003823700000000, -0.0036703100000000 ] - [ 0.0009976300000000, -0.0000148900000000, 0.0011495400000000 ] - [ 0.0013159000000000, 0.0001949100000000, 0.0010791300000000 ] - [ 0.0012286900000000, 0.0002122700000000, 0.0013818300000000 ] - [ -0.0007476100000000, 0.0000218100000000, -0.0010998700000000 ] - [ -0.0010096200000000, -0.0003703400000000, -0.0010760300000000 ] - [ 0.0078136600000000, 0.0029677200000000, -0.0018813300000000 ] - [ 0.0001682700000000, 0.0001515700000000, -0.0013308800000000 ] - [ -0.0011682000000000, -0.0003901100000000, 0.0000801300000000 ] - [ -0.0015439600000000, -0.0001683700000000, -0.0001546700000000 ] - [ 0.0121724500000000, -0.0016238500000000, 0.0006199800000000 ] - [ -0.0006057800000000, -0.0001242900000000, -0.0000237000000000 ] - [ 0.0014631100000000, 0.0000859700000000, -0.0000037800000000 ] - [ 0.0017763500000000, 0.0001083500000000, -0.0002801500000000 ] - [ 0.0024827700000000, -0.0012425600000000, 0.0009839600000000 ] - [ 0.0042791300000000, 0.0054320200000000, 0.0030083000000000 ] - [ 0.0002860700000000, -0.0007496600000000, -0.0024793400000000 ] - [ -0.0004827900000000, -0.0006128200000000, -0.0021776200000000 ] - [ 0.0008962400000000, -0.0042266800000000, 0.0046671100000000 ] - [ -0.0009908400000000, -0.0000637200000000, -0.0011378000000000 ] - [ 0.0000582200000000, 0.0033920700000000, 0.0011542100000000 ] - [ 0.0023599800000000, -0.0033383200000000, 0.0004578200000000 ] - [ -0.0001823400000000, 0.0003814500000000, -0.0012849400000000 ] - [ -0.0001555900000000, -0.0001553800000000, -0.0005504800000000 ] - [ 0.0028678700000000, 0.0006220800000000, 0.0037192600000000 ] - [ -0.0011146800000000, 0.0004287800000000, -0.0001695500000000 ] - [ 0.0015827800000000, 0.0002037500000000, -0.0003827500000000 ] - [ -0.0013546800000000, 0.0003563700000000, -0.0000275200000000 ] - [ -0.0001755100000000, 0.0011864600000000, -0.0003389500000000 ] - [ 0.0000105300000000, 0.0013783000000000, -0.0002188900000000 ] - [ -0.0180283700000000, 0.0018912100000000, -0.0021607100000000 ] - [ -0.0001847300000000, 0.0013570200000000, -0.0001994000000000 ] - [ 0.0076678300000000, -0.0023971500000000, -0.0027439000000000 ] - [ 0.0019629800000000, 0.0006663200000000, -0.0007577300000000 ] - [ 0.0014810300000000, -0.0003881400000000, 0.0017570100000000 ] - [ 0.0011524400000000, -0.0000280900000000, 0.0003314100000000 ] - [ 0.0004449800000000, -0.0014500000000000, -0.0031335000000000 ] - [ 0.0020410800000000, 0.0084716400000000, -0.0050395300000000 ] - [ -0.0007980100000000, 0.0007170000000000, -0.0015025800000000 ] - [ -0.0007085800000000, 0.0008013700000000, -0.0011750500000000 ] - [ 0.0019438500000000, -0.0013228600000000, -0.0027339900000000 ] - [ 0.0001718200000000, -0.0015111800000000, -0.0004620800000000 ] - [ -0.0013600700000000, -0.0003457200000000, 0.0021895300000000 ] - [ -0.0003028400000000, -0.0013715900000000, -0.0000535400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0092988700000000, -0.1552239100000000, -0.0138169800000000 ] - [ -0.0017721500000000, 0.0091154100000000, -0.0019599900000000 ] - [ -0.0011575300000000, -0.0033791000000000, -0.0021571800000000 ] - [ -0.0010191400000000, 0.0007854100000000, -0.0023188300000000 ] - [ 0.0046350100000000, -0.0074557000000000, -0.0169095400000000 ] - [ -0.0020961900000000, 0.0047873700000000, 0.0002729400000000 ] - [ -0.0065713000000000, -0.0074495000000000, 0.0154569500000000 ] - [ -0.0000455700000000, 0.0047873600000000, -0.0060759500000000 ] - [ 0.0020055500000000, -0.0041007800000000, -0.0008656600000000 ] - [ 0.0017360000000000, 0.0020871900000000, -0.0010537000000000 ] - [ 0.0035288100000000, -0.0095500000000000, -0.0023917800000000 ] - [ 0.0019073600000000, 0.0040899600000000, -0.0009685900000000 ] - [ -0.0011870400000000, 0.0003122300000000, 0.0029045600000000 ] - [ -0.0023850200000000, 0.0003447400000000, -0.0008074800000000 ] - [ -0.0001537600000000, 0.0010467200000000, -0.0023072300000000 ] - [ -0.0043113900000000, 0.0002148000000000, 0.0041455400000000 ] - [ -0.0135514400000000, -0.0063980500000000, -0.0091061700000000 ] - [ 0.0038571900000000, 0.0052534300000000, 0.0014977400000000 ] - [ 0.0011599100000000, -0.0014577100000000, -0.0001174300000000 ] - [ 0.0018280200000000, 0.0019717600000000, -0.0017836000000000 ] - [ 0.0051164700000000, -0.0022535600000000, 0.0057506500000000 ] - [ -0.0034576400000000, 0.0059409300000000, -0.0008925800000000 ] - [ -0.0016738000000000, -0.0010180800000000, 0.0003027300000000 ] - [ -0.0017491400000000, 0.0018871100000000, 0.0016757400000000 ] - [ -0.0006507100000000, -0.0004835900000000, 0.0051092100000000 ] - [ 0.0020335100000000, -0.0004987600000000, -0.0002335600000000 ] - [ -0.0001097500000000, 0.0003101200000000, -0.0008377200000000 ] - [ 0.0028047200000000, 0.0003209900000000, 0.0059980500000000 ] - [ 0.0009685100000000, 0.0000280300000000, 0.0026104900000000 ] - [ 0.0010639500000000, 0.0022170200000000, 0.0025404700000000 ] - [ -0.0259030300000000, 0.0005028200000000, -0.0019864800000000 ] - [ 0.0044295800000000, 0.0060849600000000, 0.0033241600000000 ] - [ 0.0106478800000000, 0.0313708200000000, 0.0000099100000000 ] - [ -0.0093851000000000, 0.0445284300000000, -0.0027608500000000 ] - [ -0.0009480600000000, 0.0010263200000000, -0.0008387100000000 ] - [ -0.0008944600000000, 0.0015202300000000, -0.0007155900000000 ] - [ -0.0012431700000000, -0.0000179200000000, 0.0109889800000000 ] - [ -0.0007740200000000, 0.0034052800000000, -0.0022483100000000 ] - [ 0.0022703700000000, -0.0018363300000000, -0.0089706600000000 ] - [ -0.0019574200000000, 0.0035363700000000, -0.0002962100000000 ] - [ 0.0001240500000000, -0.0033722600000000, 0.0021134900000000 ] - [ 0.0007744700000000, 0.0038626600000000, 0.0004567400000000 ] - [ 0.0015363700000000, -0.0055122900000000, -0.0009343800000000 ] - [ 0.0007640900000000, 0.0039402100000000, 0.0014575300000000 ] - [ 0.0007773000000000, -0.0023132900000000, 0.0011035800000000 ] - [ 0.0009892500000000, 0.0004176800000000, 0.0010711800000000 ] - [ 0.0107030400000000, -0.0015965900000000, 0.0025909800000000 ] - [ 0.0002056100000000, 0.0034955600000000, 0.0001312100000000 ] - [ 0.0006333200000000, 0.0006381100000000, -0.0022077900000000 ] - [ -0.0008274700000000, -0.0007308800000000, 0.0023602500000000 ] - [ -0.0005239000000000, 0.0009825200000000, 0.0027213200000000 ] - [ 0.0005730300000000, -0.0017902700000000, -0.0026115900000000 ] - [ 0.0003444600000000, -0.0006068500000000, 0.0029054700000000 ] - [ 0.0007013600000000, -0.0015488900000000, 0.0011774500000000 ] - [ 0.0017111700000000, 0.0279511800000000, 0.0074800900000000 ] - [ -0.0005982300000000, -0.0098732300000000, 0.0052585300000000 ] - [ -0.0009676500000000, 0.0026825900000000, -0.0023228600000000 ] - [ -0.0011058000000000, -0.0014314500000000, 0.0003077700000000 ] - [ 0.0046652700000000, 0.0177725700000000, -0.0108759800000000 ] - [ -0.0010182600000000, -0.0028497000000000, 0.0002625300000000 ] - [ -0.0023014700000000, 0.0200529200000000, -0.0002463900000000 ] - [ -0.0031493300000000, -0.0121886900000000, 0.0002513400000000 ] - [ 0.0000205400000000, -0.0007029500000000, 0.0001125400000000 ] - [ -0.0000806400000000, -0.0021438100000000, 0.0001307400000000 ] - [ 0.0005775500000000, 0.0001531200000000, -0.0026989200000000 ] - [ 0.0016047500000000, -0.0018388400000000, 0.0012901700000000 ] - [ 0.0014906300000000, 0.0006822600000000, 0.0012642200000000 ] - [ 0.0018572500000000, -0.0017317100000000, -0.0002597200000000 ] - [ 0.0027168000000000, 0.0021374000000000, 0.0057023500000000 ] - [ 0.0009289000000000, -0.0014853300000000, -0.0001148000000000 ] - [ 0.0038317300000000, 0.0032098100000000, -0.0003317600000000 ] - [ 0.0008322900000000, -0.0021098000000000, 0.0021197500000000 ] - [ -0.0010018700000000, 0.0187939100000000, 0.0117674500000000 ] - [ 0.0009308000000000, -0.0023147100000000, 0.0019283400000000 ] - [ 0.0008129200000000, 0.0042722600000000, 0.0034482300000000 ] - [ 0.0006364500000000, -0.0013924800000000, 0.0015898800000000 ] - [ 0.0012532700000000, 0.0078611900000000, 0.0066613600000000 ] - [ -0.0023420500000000, -0.0075576800000000, -0.0033890100000000 ] - [ -0.0001634100000000, -0.0001440900000000, -0.0015332100000000 ] - [ -0.0012997400000000, -0.0007675100000000, 0.0005809400000000 ] - [ -0.0059244500000000, -0.0040613400000000, -0.0014113800000000 ] - [ 0.0104421100000000, -0.0053087700000000, 0.0020089000000000 ] - [ 0.0016539600000000, 0.0002579800000000, 0.0000163000000000 ] - [ 0.0018084000000000, -0.0000808600000000, 0.0003414500000000 ] - [ 0.0012877100000000, 0.0162823000000000, 0.0005657100000000 ] - [ 0.0006012600000000, -0.0036606500000000, 0.0015009000000000 ] - [ 0.0012719000000000, 0.0015110100000000, 0.0011833700000000 ] - [ 0.0010510600000000, -0.0009975900000000, 0.0013695700000000 ] - [ -0.0010479300000000, 0.0007751500000000, -0.0014953600000000 ] - [ -0.0012977200000000, -0.0011371800000000, -0.0012419100000000 ] - [ 0.0009877400000000, 0.0017439100000000, 0.0000379000000000 ] - [ -0.0012635300000000, -0.0027892700000000, -0.0021244600000000 ] - [ -0.0016038100000000, 0.0006493500000000, -0.0001884400000000 ] - [ -0.0015360100000000, -0.0010739000000000, -0.0002657800000000 ] - [ -0.0026853100000000, 0.0024225200000000, -0.0011822600000000 ] - [ -0.0015237500000000, -0.0025336300000000, 0.0004535500000000 ] - [ 0.0010260900000000, -0.0002041600000000, -0.0007380000000000 ] - [ 0.0010259500000000, 0.0004755100000000, 0.0005937300000000 ] - [ 0.0021205500000000, -0.0011789700000000, 0.0009847000000000 ] - [ -0.0009651900000000, -0.0002040600000000, -0.0008999600000000 ] - [ -0.0001286400000000, 0.0004307500000000, -0.0025742200000000 ] - [ -0.0008115500000000, -0.0020791300000000, -0.0016065200000000 ] - [ 0.0018569100000000, 0.0021080100000000, 0.0024857200000000 ] - [ -0.0008838200000000, -0.0027050400000000, -0.0029888200000000 ] - [ -0.0014169800000000, -0.0001840900000000, -0.0028056500000000 ] - [ -0.0008306900000000, -0.0006597500000000, 0.0002283900000000 ] - [ -0.0009370400000000, -0.0000454900000000, 0.0000740600000000 ] - [ -0.0014149900000000, -0.0000186600000000, -0.0027676200000000 ] - [ -0.0009784900000000, 0.0033615300000000, -0.0001211800000000 ] - [ -0.0021310500000000, -0.0018618300000000, -0.0002475700000000 ] - [ -0.0012896900000000, 0.0022681100000000, 0.0005027800000000 ] - [ -0.0019105600000000, -0.0010359300000000, -0.0003323600000000 ] - [ 0.0002382500000000, 0.0025794500000000, -0.0002429200000000 ] - [ -0.0001772400000000, 0.0001616200000000, -0.0002426100000000 ] - [ 0.0027534800000000, 0.0133649500000000, 0.0007963400000000 ] - [ -0.0003808300000000, -0.0024229900000000, -0.0002500800000000 ] - [ 0.0021208800000000, 0.0021017900000000, -0.0018829700000000 ] - [ 0.0010853700000000, -0.0019138900000000, 0.0009481000000000 ] - [ 0.0010484200000000, 0.0009174300000000, 0.0009042400000000 ] - [ 0.0009012100000000, -0.0011337800000000, -0.0002873300000000 ] - [ 0.0023768100000000, -0.0019349900000000, -0.0027882700000000 ] - [ -0.0039283700000000, -0.0002101300000000, -0.0011561500000000 ] - [ -0.0006057600000000, 0.0004296200000000, -0.0012624500000000 ] - [ -0.0006252700000000, 0.0009947700000000, -0.0025523700000000 ] - [ -0.0010210300000000, 0.0016975500000000, 0.0001924200000000 ] - [ 0.0006045000000000, -0.0032193500000000, -0.0004356000000000 ] - [ -0.0025618900000000, 0.0021417200000000, -0.0022636400000000 ] - [ 0.0007072500000000, -0.0032750900000000, 0.0002814300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0114226300000000, 0.1522680500000000, 0.0083003200000000 ] - [ -0.0002015800000000, -0.0112530300000000, -0.0030125200000000 ] - [ -0.0008330200000000, 0.0012394300000000, -0.0028017500000000 ] - [ -0.0009658700000000, -0.0029069400000000, -0.0026364800000000 ] - [ -0.0066031600000000, 0.0094762000000000, 0.0119127700000000 ] - [ 0.0001274900000000, -0.0026642900000000, -0.0052632100000000 ] - [ 0.0045540300000000, 0.0094914100000000, -0.0203680000000000 ] - [ -0.0019383400000000, -0.0026643200000000, 0.0011461700000000 ] - [ 0.0014071400000000, 0.0033888700000000, -0.0013544900000000 ] - [ 0.0016646900000000, -0.0027932600000000, -0.0011832800000000 ] - [ -0.0000267100000000, 0.0088472900000000, 0.0001303700000000 ] - [ 0.0014811300000000, -0.0048028400000000, -0.0012558500000000 ] - [ -0.0022137800000000, -0.0010060800000000, -0.0006721300000000 ] - [ -0.0010075000000000, -0.0010648200000000, 0.0030512800000000 ] - [ -0.0032506500000000, -0.0017328100000000, 0.0045752700000000 ] - [ 0.0009049800000000, -0.0009405400000000, -0.0018941300000000 ] - [ 0.0168997400000000, 0.0070097000000000, 0.0068369600000000 ] - [ -0.0004843600000000, -0.0045549500000000, -0.0037739000000000 ] - [ 0.0022438200000000, 0.0021552800000000, -0.0021185800000000 ] - [ 0.0015650800000000, -0.0012596200000000, -0.0004479900000000 ] - [ -0.0085364100000000, 0.0030501300000000, -0.0035370600000000 ] - [ 0.0000470000000000, -0.0052307400000000, 0.0031054500000000 ] - [ -0.0017073900000000, 0.0017347100000000, 0.0019357900000000 ] - [ -0.0016559800000000, -0.0011815600000000, 0.0005557600000000 ] - [ 0.0026464400000000, -0.0016242400000000, -0.0001606600000000 ] - [ -0.0000525700000000, -0.0016423700000000, 0.0051871300000000 ] - [ 0.0020948800000000, -0.0024394000000000, 0.0058200000000000 ] - [ -0.0008186100000000, -0.0024424600000000, -0.0010207100000000 ] - [ 0.0010027000000000, 0.0021021900000000, 0.0023662800000000 ] - [ 0.0009236900000000, -0.0000881500000000, 0.0024195300000000 ] - [ 0.0281118000000000, 0.0017019500000000, 0.0069654000000000 ] - [ -0.0024252600000000, -0.0039528000000000, 0.0016445800000000 ] - [ -0.0124987000000000, -0.0298204500000000, -0.0019598900000000 ] - [ 0.0074612400000000, -0.0420147400000000, 0.0008014300000000 ] - [ -0.0008461400000000, 0.0009137300000000, -0.0010964200000000 ] - [ -0.0009022200000000, 0.0004009000000000, -0.0012200700000000 ] - [ -0.0005111700000000, -0.0017517500000000, -0.0129081500000000 ] - [ -0.0010214500000000, -0.0053484900000000, 0.0003020200000000 ] - [ -0.0040901300000000, 0.0000222800000000, 0.0070135700000000 ] - [ 0.0001624200000000, -0.0054790800000000, -0.0016202200000000 ] - [ 0.0016466500000000, 0.0053101800000000, -0.0001677900000000 ] - [ 0.0010164200000000, -0.0019317700000000, 0.0014760100000000 ] - [ 0.0002514400000000, 0.0074400000000000, 0.0028598200000000 ] - [ 0.0010320800000000, -0.0020081300000000, 0.0004893900000000 ] - [ 0.0010148100000000, 0.0003728100000000, 0.0008378000000000 ] - [ 0.0008064500000000, -0.0023474700000000, 0.0008659500000000 ] - [ -0.0088933900000000, -0.0004092300000000, -0.0006504800000000 ] - [ 0.0015930500000000, -0.0054254800000000, 0.0018115100000000 ] - [ -0.0006257300000000, 0.0019036700000000, 0.0026363700000000 ] - [ 0.0008406300000000, 0.0033093900000000, -0.0019201900000000 ] - [ 0.0005274500000000, 0.0015967500000000, -0.0023218700000000 ] - [ -0.0005972100000000, 0.0044323300000000, 0.0030194400000000 ] - [ 0.0008972400000000, -0.0010111800000000, 0.0008354200000000 ] - [ 0.0005450600000000, -0.0000728000000000, 0.0025729800000000 ] - [ -0.0005765300000000, -0.0277417900000000, -0.0026902100000000 ] - [ 0.0018315800000000, 0.0082828400000000, -0.0015361400000000 ] - [ -0.0010535300000000, -0.0023240800000000, 0.0023177500000000 ] - [ -0.0009054100000000, 0.0018136600000000, -0.0002484300000000 ] - [ -0.0068126600000000, -0.0173365000000000, 0.0111101600000000 ] - [ -0.0009868000000000, 0.0032019100000000, -0.0001960100000000 ] - [ 0.0027527100000000, -0.0249388200000000, 0.0007358400000000 ] - [ 0.0031385600000000, 0.0095597800000000, 0.0001587700000000 ] - [ -0.0000112200000000, -0.0018862100000000, 0.0002975900000000 ] - [ 0.0000848800000000, -0.0004310700000000, 0.0002739800000000 ] - [ 0.0026749400000000, -0.0006531800000000, 0.0031167500000000 ] - [ 0.0016453800000000, 0.0013675300000000, -0.0008618800000000 ] - [ 0.0017640800000000, -0.0011920800000000, -0.0008330500000000 ] - [ 0.0014422900000000, 0.0012729400000000, 0.0006762700000000 ] - [ -0.0003209500000000, -0.0024233000000000, -0.0029826200000000 ] - [ 0.0014723900000000, 0.0011795500000000, 0.0028405100000000 ] - [ -0.0014209700000000, -0.0034832400000000, 0.0030342400000000 ] - [ 0.0015703500000000, 0.0018033200000000, 0.0005861300000000 ] - [ 0.0022994700000000, -0.0171412300000000, -0.0082672800000000 ] - [ 0.0003142000000000, 0.0039464300000000, 0.0018331300000000 ] - [ 0.0004291700000000, -0.0026753400000000, 0.0003174200000000 ] - [ 0.0005951800000000, 0.0029740000000000, 0.0021102200000000 ] - [ -0.0034645800000000, -0.0072089700000000, -0.0070959500000000 ] - [ 0.0003314900000000, 0.0072241000000000, 0.0034755600000000 ] - [ -0.0018420500000000, -0.0002093800000000, 0.0015936900000000 ] - [ -0.0007085700000000, 0.0004005800000000, -0.0005283000000000 ] - [ 0.0092624000000000, 0.0045604300000000, 0.0018550100000000 ] - [ -0.0071253700000000, 0.0057523700000000, -0.0015601500000000 ] - [ 0.0016080600000000, 0.0002058900000000, 0.0004059500000000 ] - [ 0.0014633200000000, 0.0005567900000000, 0.0000833500000000 ] - [ 0.0013240400000000, -0.0159699000000000, 0.0022032900000000 ] - [ 0.0018027900000000, 0.0039688900000000, 0.0012144600000000 ] - [ 0.0011214200000000, -0.0012112500000000, 0.0015197800000000 ] - [ 0.0013473800000000, 0.0013041700000000, 0.0013428500000000 ] - [ -0.0013425500000000, -0.0010908900000000, -0.0012152800000000 ] - [ -0.0010943900000000, 0.0008403500000000, -0.0014700200000000 ] - [ -0.0034184900000000, -0.0020862500000000, -0.0027558600000000 ] - [ -0.0011280100000000, 0.0024945000000000, -0.0005935500000000 ] - [ -0.0016682000000000, -0.0011122900000000, -0.0002371100000000 ] - [ -0.0017500600000000, 0.0006060100000000, -0.0001640700000000 ] - [ -0.0005846400000000, -0.0028677400000000, 0.0007495000000000 ] - [ -0.0017388600000000, 0.0020649000000000, -0.0008844800000000 ] - [ 0.0009831900000000, 0.0005474100000000, 0.0006671600000000 ] - [ 0.0009841800000000, -0.0001134200000000, -0.0006625600000000 ] - [ -0.0001182600000000, 0.0015347900000000, -0.0010634800000000 ] - [ 0.0029649200000000, 0.0005850000000000, 0.0008280600000000 ] - [ -0.0011072100000000, -0.0020513700000000, -0.0011608000000000 ] - [ -0.0004317200000000, 0.0004706800000000, -0.0021262200000000 ] - [ -0.0031065600000000, -0.0037461600000000, -0.0062410100000000 ] - [ -0.0003463600000000, 0.0011277900000000, -0.0007295200000000 ] - [ -0.0009690800000000, 0.0004655400000000, 0.0001046200000000 ] - [ -0.0015741000000000, 0.0009811800000000, -0.0029343400000000 ] - [ -0.0014610800000000, 0.0003385600000000, -0.0027974100000000 ] - [ -0.0009793000000000, 0.0003276500000000, 0.0000503500000000 ] - [ -0.0023012000000000, -0.0028897200000000, -0.0003008000000000 ] - [ -0.0011296700000000, 0.0023433500000000, -0.0001659900000000 ] - [ -0.0019826400000000, -0.0018029300000000, -0.0009188300000000 ] - [ -0.0013832500000000, 0.0015096500000000, -0.0000959300000000 ] - [ -0.0002378100000000, 0.0000077000000000, -0.0001661600000000 ] - [ 0.0001848900000000, 0.0024476300000000, -0.0001676600000000 ] - [ -0.0029473300000000, -0.0108554500000000, -0.0012173200000000 ] - [ 0.0003710500000000, 0.0050122400000000, -0.0001632600000000 ] - [ -0.0001144900000000, -0.0024799900000000, 0.0018214600000000 ] - [ 0.0009255100000000, 0.0015469400000000, -0.0010000200000000 ] - [ 0.0009587500000000, -0.0012879000000000, -0.0009729100000000 ] - [ 0.0011082100000000, 0.0007992900000000, 0.0002008900000000 ] - [ -0.0036427300000000, 0.0035575000000000, -0.0009467600000000 ] - [ 0.0026536300000000, 0.0018505000000000, -0.0025928100000000 ] - [ -0.0006286600000000, 0.0011611100000000, -0.0024663400000000 ] - [ -0.0006097500000000, 0.0006244700000000, -0.0011723100000000 ] - [ 0.0010263600000000, -0.0042702500000000, -0.0006092200000000 ] - [ -0.0006153600000000, 0.0006365300000000, 0.0000199400000000 ] - [ 0.0025550500000000, -0.0047275400000000, 0.0018397800000000 ] - [ -0.0006909600000000, 0.0006503400000000, -0.0007014100000000 ]- atom: 1 displacement: [ -0.0019782548681478, 0.0000000000000000, 0.0098023725534510 ] forces: - [ 0.0485477100000000, -0.0137005600000000, -0.1809105600000000 ] - [ -0.0008230600000000, -0.0003929000000000, -0.0043668400000000 ] - [ -0.0038112900000000, -0.0007201500000000, 0.0079298000000000 ] - [ -0.0012677300000000, -0.0009119600000000, -0.0003229800000000 ] - [ -0.0044643100000000, -0.0174594800000000, 0.0183330400000000 ] - [ -0.0003134900000000, 0.0047779100000000, -0.0026112400000000 ] - [ -0.0046659100000000, 0.0164201700000000, 0.0184837900000000 ] - [ -0.0014289500000000, -0.0018775800000000, -0.0028652700000000 ] - [ 0.0053501600000000, -0.0010719600000000, 0.0057685000000000 ] - [ 0.0019374000000000, -0.0002168500000000, 0.0002977600000000 ] - [ -0.0189819700000000, 0.0000264100000000, -0.0088831900000000 ] - [ 0.0014634200000000, -0.0003438900000000, -0.0024899700000000 ] - [ -0.0001083300000000, 0.0024348500000000, 0.0043394800000000 ] - [ -0.0005436600000000, -0.0024673500000000, 0.0038831100000000 ] - [ -0.0033127300000000, -0.0036033500000000, -0.0017549300000000 ] - [ -0.0036479700000000, 0.0025781200000000, -0.0015601000000000 ] - [ 0.0129574200000000, -0.0038765000000000, -0.0033988600000000 ] - [ 0.0018111100000000, 0.0013395400000000, -0.0031226100000000 ] - [ 0.0004667000000000, 0.0009629900000000, 0.0036000700000000 ] - [ 0.0016316700000000, -0.0005912400000000, 0.0008432600000000 ] - [ 0.0019475200000000, 0.0018142100000000, -0.0046677500000000 ] - [ -0.0016418500000000, -0.0002312200000000, -0.0010328000000000 ] - [ -0.0027631900000000, 0.0002261400000000, 0.0066710400000000 ] - [ -0.0017645000000000, 0.0009494500000000, 0.0030582700000000 ] - [ -0.0027504700000000, 0.0017805700000000, 0.0018788300000000 ] - [ -0.0005787800000000, -0.0039663700000000, 0.0023202900000000 ] - [ 0.0034987200000000, -0.0041599200000000, 0.0041859900000000 ] - [ 0.0030016700000000, 0.0019812200000000, 0.0040816600000000 ] - [ 0.0007509000000000, 0.0011829700000000, 0.0073920400000000 ] - [ 0.0009439600000000, 0.0011145800000000, 0.0044301800000000 ] - [ -0.0001756500000000, 0.0020819300000000, -0.0097387200000000 ] - [ 0.0017376500000000, 0.0012047000000000, 0.0002449800000000 ] - [ 0.0005192400000000, 0.0010585500000000, -0.0045530800000000 ] - [ -0.0017094200000000, 0.0034710500000000, -0.0281097000000000 ] - [ -0.0010880600000000, 0.0010198100000000, 0.0022836100000000 ] - [ -0.0006278100000000, 0.0007811300000000, 0.0035881800000000 ] - [ 0.0029895400000000, 0.0184474600000000, 0.0248300800000000 ] - [ -0.0000458200000000, -0.0034998300000000, -0.0007883300000000 ] - [ -0.0054799100000000, -0.0172140900000000, 0.0215618900000000 ] - [ -0.0020635600000000, 0.0017106100000000, -0.0008224900000000 ] - [ -0.0045704200000000, 0.0025582700000000, 0.0020121300000000 ] - [ 0.0004935400000000, 0.0013949300000000, 0.0006909300000000 ] - [ 0.0046815200000000, -0.0001415400000000, 0.0048205900000000 ] - [ 0.0012387700000000, 0.0007124400000000, 0.0013201300000000 ] - [ 0.0012131000000000, -0.0009643100000000, 0.0038729100000000 ] - [ 0.0011618800000000, -0.0009673100000000, 0.0030527700000000 ] - [ -0.0001918800000000, -0.0023964400000000, -0.0040811200000000 ] - [ 0.0005484000000000, -0.0007911800000000, -0.0012691900000000 ] - [ 0.0032368500000000, -0.0084347300000000, -0.0024747700000000 ] - [ 0.0007197700000000, 0.0051904600000000, -0.0001956200000000 ] - [ -0.0025414000000000, 0.0083704500000000, -0.0026016900000000 ] - [ -0.0000078500000000, -0.0026658800000000, -0.0009669300000000 ] - [ 0.0015175400000000, 0.0006128200000000, -0.0039539300000000 ] - [ 0.0006245300000000, -0.0012918700000000, -0.0002599700000000 ] - [ -0.0010909000000000, 0.0058436400000000, 0.0270821100000000 ] - [ 0.0003036800000000, -0.0016422800000000, 0.0039721200000000 ] - [ -0.0016554900000000, 0.0020355600000000, -0.0121413600000000 ] - [ -0.0010275300000000, 0.0004212200000000, -0.0009797000000000 ] - [ -0.0144193400000000, -0.0066157500000000, 0.0350160200000000 ] - [ -0.0009575100000000, -0.0002994900000000, 0.0010149800000000 ] - [ -0.0010095700000000, -0.0033945800000000, 0.0116426600000000 ] - [ -0.0005185600000000, -0.0034264600000000, 0.0040441300000000 ] - [ 0.0003518200000000, -0.0011287900000000, -0.0020721700000000 ] - [ 0.0000536900000000, -0.0011531700000000, -0.0008592000000000 ] - [ -0.0054476600000000, -0.0044569900000000, -0.0054090900000000 ] - [ 0.0011222300000000, 0.0006450200000000, 0.0000164900000000 ] - [ 0.0095772200000000, 0.0043304900000000, -0.0032417800000000 ] - [ 0.0022021000000000, -0.0011096400000000, 0.0001835900000000 ] - [ -0.0026595500000000, 0.0022301900000000, -0.0018744000000000 ] - [ 0.0007578800000000, -0.0011704200000000, 0.0012677000000000 ] - [ 0.0066441100000000, -0.0041705100000000, -0.0005089700000000 ] - [ 0.0014955300000000, 0.0007885900000000, 0.0014356800000000 ] - [ -0.0144043100000000, 0.0110343000000000, 0.0488667700000000 ] - [ 0.0004227100000000, 0.0009325900000000, 0.0032846900000000 ] - [ 0.0012079900000000, -0.0004646700000000, -0.0102113600000000 ] - [ 0.0008588200000000, 0.0002390800000000, 0.0006522900000000 ] - [ -0.0050738700000000, 0.0042332700000000, 0.0192076100000000 ] - [ -0.0013620300000000, -0.0000886200000000, 0.0019520400000000 ] - [ 0.0002845600000000, -0.0016749200000000, -0.0050069300000000 ] - [ -0.0006429000000000, -0.0000068600000000, -0.0015989400000000 ] - [ 0.0011602700000000, 0.0004498500000000, 0.0028029600000000 ] - [ 0.0011719900000000, 0.0004338100000000, 0.0066256800000000 ] - [ 0.0017274000000000, 0.0002888200000000, -0.0017339300000000 ] - [ 0.0018815700000000, 0.0000327600000000, -0.0016013700000000 ] - [ 0.0017282600000000, 0.0004510300000000, 0.0201227700000000 ] - [ 0.0011875600000000, -0.0000289000000000, 0.0025276000000000 ] - [ 0.0013811100000000, 0.0003033000000000, -0.0029876300000000 ] - [ 0.0012312000000000, 0.0002216000000000, 0.0001589900000000 ] - [ -0.0017865400000000, -0.0007744900000000, -0.0048508000000000 ] - [ -0.0012423700000000, 0.0003232500000000, -0.0027921900000000 ] - [ -0.0000670300000000, 0.0016160300000000, 0.0031332400000000 ] - [ -0.0012747200000000, -0.0007210200000000, 0.0001022900000000 ] - [ -0.0020190500000000, 0.0002210000000000, -0.0024613100000000 ] - [ -0.0017220900000000, -0.0005450300000000, -0.0014792500000000 ] - [ -0.0009544700000000, -0.0012947300000000, 0.0030706500000000 ] - [ -0.0015853400000000, -0.0000325000000000, 0.0010037500000000 ] - [ 0.0009017900000000, -0.0004885700000000, -0.0016293600000000 ] - [ 0.0011209000000000, 0.0003113800000000, -0.0015943500000000 ] - [ 0.0011986600000000, 0.0009916200000000, 0.0017490600000000 ] - [ 0.0001464000000000, 0.0003742100000000, 0.0016852400000000 ] - [ 0.0011890400000000, -0.0019247700000000, -0.0040174200000000 ] - [ -0.0002604000000000, -0.0004857600000000, -0.0025608200000000 ] - [ -0.0054087000000000, 0.0017519100000000, -0.0023106800000000 ] - [ -0.0010116100000000, -0.0012476400000000, -0.0012169100000000 ] - [ -0.0010300800000000, -0.0010902100000000, -0.0002782800000000 ] - [ -0.0012869100000000, 0.0015980400000000, -0.0008669800000000 ] - [ -0.0011604200000000, 0.0014554500000000, -0.0024691100000000 ] - [ -0.0011605900000000, -0.0008430600000000, -0.0021791700000000 ] - [ -0.0014364000000000, -0.0001516600000000, 0.0003806700000000 ] - [ -0.0014970500000000, 0.0000432000000000, 0.0000949000000000 ] - [ -0.0019478000000000, 0.0002021700000000, -0.0018728800000000 ] - [ -0.0017606800000000, 0.0003525700000000, -0.0004738700000000 ] - [ -0.0000672300000000, 0.0011531400000000, -0.0019932400000000 ] - [ -0.0000382000000000, 0.0012581100000000, -0.0008199000000000 ] - [ -0.0019540200000000, 0.0021194500000000, 0.0072825200000000 ] - [ 0.0000259100000000, 0.0011833400000000, 0.0004113300000000 ] - [ 0.0035018800000000, -0.0015413700000000, 0.0021046300000000 ] - [ 0.0010769200000000, 0.0000538400000000, 0.0009058600000000 ] - [ 0.0007733300000000, 0.0010250900000000, -0.0029589600000000 ] - [ 0.0009403900000000, -0.0003529300000000, -0.0009902700000000 ] - [ -0.0004636700000000, 0.0000674100000000, 0.0003925700000000 ] - [ 0.0002454000000000, 0.0015361800000000, 0.0007369800000000 ] - [ -0.0006533900000000, 0.0012818700000000, -0.0041098900000000 ] - [ -0.0007086200000000, 0.0006524200000000, -0.0040355300000000 ] - [ 0.0047836800000000, 0.0009089300000000, -0.0012883900000000 ] - [ 0.0004114700000000, -0.0022053100000000, -0.0000640400000000 ] - [ -0.0036406100000000, -0.0026172700000000, -0.0030702600000000 ] - [ -0.0002809800000000, -0.0004926100000000, -0.0002925400000000 ]- atom: 1 displacement: [ 0.0019782548681478, 0.0000000000000000, -0.0098023725534510 ] forces: - [ -0.0498421000000000, 0.0120962400000000, 0.1768671400000000 ] - [ -0.0011607600000000, -0.0017360800000000, -0.0005875800000000 ] - [ 0.0018203800000000, -0.0014112400000000, -0.0128879700000000 ] - [ -0.0007149600000000, -0.0012179300000000, -0.0046382800000000 ] - [ 0.0024903500000000, 0.0198458500000000, -0.0234981100000000 ] - [ -0.0016792200000000, -0.0026752600000000, -0.0023278100000000 ] - [ 0.0026442700000000, -0.0140614400000000, -0.0232879100000000 ] - [ -0.0005631100000000, 0.0039820600000000, -0.0021195400000000 ] - [ -0.0019765800000000, 0.0003801300000000, -0.0080254300000000 ] - [ 0.0014576600000000, -0.0004928300000000, -0.0025309200000000 ] - [ 0.0222079700000000, -0.0007310900000000, 0.0065408600000000 ] - [ 0.0019392800000000, -0.0003660000000000, 0.0002356700000000 ] - [ -0.0033054600000000, -0.0031724400000000, -0.0020995000000000 ] - [ -0.0028575500000000, 0.0017755700000000, -0.0016280700000000 ] - [ -0.0000929600000000, 0.0028865900000000, 0.0039584800000000 ] - [ 0.0002440500000000, -0.0032795000000000, 0.0037624500000000 ] - [ -0.0095588900000000, 0.0045965000000000, 0.0012598500000000 ] - [ 0.0015922600000000, -0.0006337500000000, 0.0009090100000000 ] - [ 0.0029216900000000, -0.0002441200000000, -0.0058498800000000 ] - [ 0.0017693900000000, 0.0012890000000000, -0.0030932300000000 ] - [ -0.0053252100000000, -0.0010769800000000, 0.0069888200000000 ] - [ -0.0017483700000000, 0.0009284600000000, 0.0032870900000000 ] - [ -0.0006407900000000, 0.0004732000000000, -0.0044323800000000 ] - [ -0.0016316500000000, -0.0002395500000000, -0.0008294600000000 ] - [ 0.0047672400000000, -0.0039361900000000, 0.0031104900000000 ] - [ 0.0025654700000000, 0.0018511200000000, 0.0026754900000000 ] - [ -0.0014892300000000, 0.0020100400000000, 0.0007570800000000 ] - [ -0.0010103500000000, -0.0040966000000000, 0.0008390700000000 ] - [ 0.0012392600000000, 0.0009307800000000, -0.0024398500000000 ] - [ 0.0010456100000000, 0.0010284900000000, 0.0005335900000000 ] - [ 0.0020198900000000, 0.0001520500000000, 0.0146890200000000 ] - [ 0.0002359700000000, 0.0009084500000000, 0.0047061200000000 ] - [ -0.0022208400000000, 0.0009900000000000, 0.0026133500000000 ] - [ -0.0000561600000000, -0.0016688900000000, 0.0261983900000000 ] - [ -0.0007076100000000, 0.0008923600000000, -0.0042315200000000 ] - [ -0.0011711100000000, 0.0011778200000000, -0.0055377200000000 ] - [ -0.0047729700000000, -0.0206054500000000, -0.0270978100000000 ] - [ -0.0017497400000000, 0.0015638900000000, -0.0011370300000000 ] - [ 0.0035867500000000, 0.0151394300000000, -0.0232791200000000 ] - [ 0.0002688000000000, -0.0036508100000000, -0.0011318300000000 ] - [ 0.0064047300000000, -0.0006253400000000, -0.0000532600000000 ] - [ 0.0012948000000000, 0.0005443300000000, 0.0012596400000000 ] - [ -0.0028576800000000, 0.0020815800000000, -0.0028892700000000 ] - [ 0.0005496900000000, 0.0012255100000000, 0.0006099400000000 ] - [ 0.0005763400000000, -0.0009591100000000, -0.0019320400000000 ] - [ 0.0006318100000000, -0.0009712100000000, -0.0011079000000000 ] - [ 0.0018703000000000, 0.0003490100000000, 0.0060239600000000 ] - [ 0.0012351400000000, -0.0011382900000000, 0.0032057500000000 ] - [ -0.0032566200000000, 0.0110740100000000, 0.0029085000000000 ] - [ -0.0007056700000000, -0.0026443500000000, 0.0006000600000000 ] - [ 0.0025204600000000, -0.0057203300000000, 0.0029990900000000 ] - [ -0.0000181300000000, 0.0052712400000000, 0.0013999200000000 ] - [ -0.0003006600000000, -0.0022365700000000, 0.0076954100000000 ] - [ 0.0006063100000000, -0.0003324500000000, 0.0039959200000000 ] - [ 0.0022739200000000, -0.0067127700000000, -0.0229142000000000 ] - [ 0.0009035500000000, 0.0000034600000000, -0.0002284400000000 ] - [ -0.0003755500000000, -0.0016776700000000, 0.0122343600000000 ] - [ -0.0009850600000000, -0.0000499400000000, 0.0010298200000000 ] - [ 0.0110896200000000, 0.0062437700000000, -0.0325234900000000 ] - [ -0.0010649200000000, 0.0006306400000000, -0.0009132900000000 ] - [ 0.0009892600000000, 0.0006936800000000, -0.0112762400000000 ] - [ 0.0005321200000000, 0.0008694600000000, -0.0036374700000000 ] - [ -0.0003370600000000, -0.0014232900000000, 0.0024884500000000 ] - [ -0.0000643900000000, -0.0014418500000000, 0.0012690000000000 ] - [ 0.0087798100000000, 0.0040222400000000, 0.0058684500000000 ] - [ 0.0021279400000000, -0.0011220300000000, 0.0003922700000000 ] - [ -0.0062679000000000, -0.0047935200000000, 0.0036595300000000 ] - [ 0.0010990800000000, 0.0006417500000000, 0.0002472500000000 ] - [ 0.0050846400000000, -0.0025652500000000, 0.0045788900000000 ] - [ 0.0016364500000000, 0.0008710800000000, 0.0014317700000000 ] - [ -0.0042155500000000, 0.0038279200000000, 0.0032289800000000 ] - [ 0.0009033100000000, -0.0010927200000000, 0.0012840400000000 ] - [ 0.0165992800000000, -0.0103457000000000, -0.0485186000000000 ] - [ 0.0008104500000000, 0.0006923500000000, 0.0004363700000000 ] - [ 0.0000281000000000, 0.0020724500000000, 0.0138911900000000 ] - [ 0.0003561800000000, 0.0013585900000000, 0.0030581100000000 ] - [ 0.0029847100000000, -0.0041975300000000, -0.0195600400000000 ] - [ -0.0006625400000000, -0.0002738800000000, -0.0018911800000000 ] - [ -0.0022976200000000, 0.0013205400000000, 0.0050770900000000 ] - [ -0.0013713200000000, -0.0003538600000000, 0.0016639000000000 ] - [ 0.0020974600000000, -0.0000001600000000, -0.0023827200000000 ] - [ 0.0020711700000000, 0.0000514100000000, -0.0062128400000000 ] - [ 0.0015234400000000, 0.0001996800000000, 0.0021551200000000 ] - [ 0.0014047100000000, 0.0004252900000000, 0.0020234200000000 ] - [ 0.0009186300000000, -0.0001646700000000, -0.0172783800000000 ] - [ 0.0012036000000000, 0.0003357900000000, 0.0001801400000000 ] - [ 0.0010190000000000, -0.0000001300000000, 0.0056994700000000 ] - [ 0.0011695400000000, 0.0000861500000000, 0.0025578700000000 ] - [ -0.0006011200000000, 0.0004697900000000, 0.0021411500000000 ] - [ -0.0011520500000000, -0.0006335800000000, 0.0000866500000000 ] - [ -0.0023121500000000, -0.0019168800000000, -0.0058204900000000 ] - [ -0.0011172300000000, 0.0004153800000000, -0.0028125700000000 ] - [ -0.0012649900000000, -0.0006930400000000, 0.0020445300000000 ] - [ -0.0015192900000000, 0.0000671400000000, 0.0010662700000000 ] - [ -0.0022761100000000, 0.0008261400000000, -0.0034713700000000 ] - [ -0.0016664900000000, -0.0004444200000000, -0.0014207300000000 ] - [ 0.0011145700000000, 0.0008644500000000, 0.0015743500000000 ] - [ 0.0008928400000000, 0.0000244700000000, 0.0015110600000000 ] - [ 0.0008217300000000, -0.0006228300000000, -0.0017968100000000 ] - [ 0.0018856700000000, 0.0000183100000000, -0.0017335700000000 ] - [ -0.0024260200000000, 0.0003126600000000, 0.0002992700000000 ] - [ -0.0009723100000000, -0.0011457700000000, -0.0011712600000000 ] - [ 0.0041293700000000, -0.0033645500000000, -0.0014024200000000 ] - [ -0.0002137900000000, -0.0003463000000000, -0.0024864700000000 ] - [ -0.0013644400000000, 0.0013969900000000, -0.0024569200000000 ] - [ -0.0011149800000000, -0.0012806100000000, -0.0018656800000000 ] - [ -0.0012363300000000, -0.0011319100000000, -0.0002323100000000 ] - [ -0.0012252900000000, 0.0011383600000000, -0.0005204800000000 ] - [ -0.0018455800000000, 0.0006178100000000, -0.0008241000000000 ] - [ -0.0017600300000000, 0.0004314600000000, -0.0005212300000000 ] - [ -0.0013041600000000, 0.0002655500000000, 0.0014633600000000 ] - [ -0.0015209900000000, 0.0001250300000000, 0.0000575000000000 ] - [ 0.0000813900000000, 0.0014636900000000, 0.0015748300000000 ] - [ 0.0000160800000000, 0.0013066100000000, 0.0004077300000000 ] - [ 0.0018402000000000, 0.0004110900000000, -0.0076868100000000 ] - [ -0.0000256300000000, 0.0014041100000000, -0.0008304900000000 ] - [ -0.0015100000000000, 0.0011919700000000, -0.0022060800000000 ] - [ 0.0009356000000000, -0.0004159900000000, -0.0009744000000000 ] - [ 0.0012429000000000, -0.0013950600000000, 0.0029008800000000 ] - [ 0.0010753800000000, 0.0000096700000000, 0.0009102500000000 ] - [ -0.0007403500000000, 0.0015377700000000, -0.0041326000000000 ] - [ -0.0014730000000000, 0.0001340600000000, -0.0045040600000000 ] - [ -0.0005817500000000, 0.0003629600000000, 0.0003690000000000 ] - [ -0.0005121200000000, 0.0009314800000000, 0.0003404000000000 ] - [ -0.0048255500000000, -0.0035137900000000, 0.0008786200000000 ] - [ -0.0004177000000000, -0.0003785900000000, -0.0003508800000000 ] - [ 0.0035983700000000, 0.0000145300000000, 0.0026394700000000 ] - [ 0.0002897300000000, -0.0021093800000000, -0.0001189100000000 ]- atom: 9 displacement: [ 0.0099846139444728, 0.0000000000000000, 0.0005545127409173 ] forces: - [ -0.0020333500000000, -0.0007418500000000, 0.0014522100000000 ] - [ -0.0010226600000000, -0.0010310100000000, -0.0021759700000000 ] - [ 0.0240649200000000, 0.0006398700000000, -0.0189879600000000 ] - [ -0.0004890400000000, -0.0008348300000000, -0.0026832700000000 ] - [ 0.0130390000000000, 0.0168230600000000, 0.0117864700000000 ] - [ -0.0014916100000000, -0.0012619200000000, -0.0025890900000000 ] - [ 0.0003522700000000, 0.0015461900000000, -0.0031995500000000 ] - [ -0.0007087800000000, 0.0009708500000000, -0.0023719000000000 ] - [ -0.1337170400000000, -0.0178197100000000, -0.0338129200000000 ] - [ 0.0008543000000000, 0.0002387700000000, -0.0014822200000000 ] - [ 0.0009246800000000, -0.0005025800000000, -0.0017814900000000 ] - [ 0.0015231600000000, -0.0002534300000000, -0.0011433000000000 ] - [ -0.0103251000000000, 0.0091344800000000, -0.0070617000000000 ] - [ -0.0103592300000000, -0.0058799300000000, -0.0060530000000000 ] - [ -0.0021276500000000, -0.0002892600000000, 0.0010039300000000 ] - [ -0.0021222400000000, -0.0003534100000000, 0.0009974100000000 ] - [ -0.0068065200000000, -0.0048721600000000, -0.0017442300000000 ] - [ 0.0008735300000000, 0.0003090200000000, -0.0015817900000000 ] - [ -0.0067752900000000, 0.0054864500000000, -0.0029647300000000 ] - [ 0.0008501900000000, 0.0002670600000000, -0.0011841200000000 ] - [ -0.0068965600000000, 0.0053613300000000, -0.0025082000000000 ] - [ -0.0022081600000000, 0.0003654500000000, 0.0008870600000000 ] - [ -0.0146203400000000, -0.0027996200000000, 0.0061283900000000 ] - [ -0.0027746600000000, 0.0003769600000000, 0.0010788100000000 ] - [ 0.0054443600000000, 0.0013516100000000, 0.0012490400000000 ] - [ 0.0034687900000000, -0.0024161000000000, 0.0011864900000000 ] - [ 0.0013359900000000, -0.0002792700000000, 0.0038844500000000 ] - [ 0.0008855500000000, -0.0016665600000000, 0.0042634100000000 ] - [ 0.0167398400000000, 0.0080785200000000, 0.0089973700000000 ] - [ 0.0022217700000000, -0.0007834600000000, 0.0026491100000000 ] - [ 0.0026364600000000, 0.0010287800000000, 0.0020398700000000 ] - [ 0.0013471300000000, 0.0010553700000000, 0.0025967700000000 ] - [ -0.0016203500000000, 0.0002319500000000, -0.0002213400000000 ] - [ -0.0013506600000000, 0.0021892100000000, 0.0002178100000000 ] - [ -0.0009337800000000, -0.0023637800000000, -0.0026616200000000 ] - [ -0.0009753700000000, 0.0061058300000000, -0.0044051900000000 ] - [ 0.0077364500000000, -0.0237896900000000, 0.0255401200000000 ] - [ -0.0016697700000000, 0.0005480300000000, -0.0009468700000000 ] - [ -0.0009286500000000, -0.0022815300000000, -0.0020591000000000 ] - [ -0.0008750600000000, -0.0008020100000000, -0.0010710700000000 ] - [ 0.0194086000000000, 0.0015862100000000, -0.0039353800000000 ] - [ 0.0010036600000000, 0.0009269100000000, 0.0006162100000000 ] - [ 0.0003844900000000, -0.0000228500000000, 0.0036938700000000 ] - [ 0.0007274300000000, 0.0010083100000000, 0.0012906600000000 ] - [ 0.0171359800000000, -0.0103799500000000, 0.0064734500000000 ] - [ 0.0012054900000000, 0.0009265700000000, 0.0016289400000000 ] - [ 0.0015985100000000, -0.0009008700000000, 0.0005966800000000 ] - [ 0.0009397500000000, -0.0007720400000000, 0.0010245500000000 ] - [ -0.0035780300000000, 0.0070589400000000, -0.0022512100000000 ] - [ -0.0009100800000000, -0.0013172000000000, -0.0002300800000000 ] - [ -0.0005233600000000, 0.0018435000000000, 0.0002023500000000 ] - [ -0.0004721500000000, 0.0010466100000000, 0.0001001100000000 ] - [ -0.0037530700000000, -0.0061580500000000, 0.0041208700000000 ] - [ 0.0005085100000000, -0.0001743700000000, 0.0023577200000000 ] - [ 0.0005116700000000, -0.0012098900000000, 0.0011944100000000 ] - [ 0.0006690500000000, -0.0006516400000000, 0.0016783800000000 ] - [ 0.0297772100000000, -0.0002881700000000, 0.0013049100000000 ] - [ -0.0006588800000000, 0.0000239100000000, 0.0002607700000000 ] - [ -0.0004346100000000, 0.0004595200000000, 0.0000998700000000 ] - [ -0.0009236300000000, 0.0001922000000000, -0.0000330200000000 ] - [ -0.0001860400000000, -0.0004654600000000, -0.0006544000000000 ] - [ -0.0002307800000000, -0.0017157100000000, -0.0000596700000000 ] - [ -0.0047297200000000, 0.0014212100000000, 0.0014556400000000 ] - [ -0.0011154900000000, -0.0029388100000000, 0.0006052800000000 ] - [ 0.0161931600000000, 0.0055319500000000, -0.0023607100000000 ] - [ 0.0026710600000000, -0.0006128400000000, 0.0006916900000000 ] - [ 0.0026445800000000, 0.0001834900000000, 0.0003628600000000 ] - [ 0.0017718800000000, -0.0002959700000000, 0.0003053100000000 ] - [ 0.0161218700000000, -0.0013080500000000, 0.0024884700000000 ] - [ 0.0032235100000000, -0.0013014700000000, 0.0026734900000000 ] - [ 0.0017372300000000, -0.0002289900000000, 0.0016348100000000 ] - [ 0.0013646900000000, -0.0002071500000000, 0.0013994800000000 ] - [ -0.0007446600000000, -0.0000375600000000, -0.0079080300000000 ] - [ 0.0007034500000000, 0.0006309500000000, 0.0016130300000000 ] - [ -0.0009381400000000, 0.0017574600000000, 0.0043988300000000 ] - [ 0.0004976300000000, 0.0007227500000000, 0.0020032300000000 ] - [ 0.0005328200000000, -0.0013995500000000, -0.0027880000000000 ] - [ -0.0004987400000000, 0.0002544500000000, -0.0003494500000000 ] - [ -0.0012556300000000, -0.0018416000000000, 0.0023153800000000 ] - [ -0.0008164400000000, -0.0000111200000000, 0.0002364400000000 ] - [ 0.0027004600000000, -0.0001101200000000, 0.0004537900000000 ] - [ 0.0023960300000000, 0.0001970200000000, 0.0003839000000000 ] - [ 0.0049752900000000, 0.0012370100000000, 0.0012125600000000 ] - [ 0.0043756500000000, -0.0007500900000000, 0.0012046300000000 ] - [ 0.0036395800000000, 0.0005669000000000, 0.0023794300000000 ] - [ 0.0014787600000000, 0.0001114100000000, 0.0014850000000000 ] - [ 0.0205320800000000, 0.0014279900000000, 0.0019010700000000 ] - [ 0.0015520300000000, 0.0000484600000000, 0.0013992000000000 ] - [ 0.0204639400000000, 0.0137066000000000, 0.0082084600000000 ] - [ -0.0004772100000000, -0.0001195100000000, -0.0008210700000000 ] - [ -0.0010072900000000, -0.0001358300000000, -0.0008132400000000 ] - [ -0.0011353500000000, -0.0002207100000000, -0.0013148500000000 ] - [ 0.0095643900000000, 0.0009170700000000, 0.0000032200000000 ] - [ -0.0009079700000000, -0.0009935300000000, -0.0002778300000000 ] - [ -0.0012668900000000, 0.0000471800000000, 0.0003251600000000 ] - [ -0.0015878300000000, -0.0002998900000000, -0.0001672700000000 ] - [ -0.0000766400000000, -0.0021062100000000, 0.0005004800000000 ] - [ -0.0016337500000000, 0.0041546900000000, 0.0016585700000000 ] - [ 0.0011425600000000, 0.0000097000000000, -0.0002295500000000 ] - [ 0.0010814700000000, 0.0001794200000000, -0.0001676700000000 ] - [ -0.0073141200000000, -0.0029992900000000, -0.0004746200000000 ] - [ -0.0010775100000000, -0.0004161800000000, -0.0014397600000000 ] - [ -0.0007405000000000, -0.0007830400000000, -0.0028349700000000 ] - [ -0.0006240900000000, -0.0007483600000000, -0.0020984800000000 ] - [ -0.0000181600000000, -0.0003084100000000, -0.0002189200000000 ] - [ 0.0001832600000000, 0.0007355000000000, -0.0007666100000000 ] - [ -0.0006611000000000, 0.0003091500000000, -0.0011440700000000 ] - [ 0.0003236800000000, -0.0004397600000000, -0.0013948900000000 ] - [ -0.0001509800000000, 0.0012768400000000, 0.0113094400000000 ] - [ -0.0015044800000000, 0.0001202800000000, -0.0000657400000000 ] - [ 0.0003090700000000, 0.0007132000000000, 0.0001227600000000 ] - [ -0.0014049900000000, 0.0002255900000000, -0.0002234800000000 ] - [ -0.0090782700000000, 0.0012560900000000, -0.0025479000000000 ] - [ -0.0006778300000000, 0.0008108500000000, -0.0003451200000000 ] - [ -0.0010329600000000, 0.0011502800000000, -0.0005470300000000 ] - [ -0.0001827300000000, 0.0011838600000000, -0.0002723900000000 ] - [ -0.0018948300000000, -0.0031340800000000, 0.0026857200000000 ] - [ 0.0009621000000000, -0.0001246100000000, 0.0001987500000000 ] - [ 0.0008634900000000, -0.0003829100000000, -0.0038582700000000 ] - [ 0.0013467100000000, 0.0001369300000000, -0.0003976100000000 ] - [ -0.0012006400000000, 0.0004870700000000, -0.0017370700000000 ] - [ -0.0010076400000000, 0.0009207200000000, -0.0015622600000000 ] - [ -0.0013579600000000, -0.0004291400000000, -0.0029750000000000 ] - [ -0.0026307200000000, 0.0033274000000000, -0.0038184300000000 ] - [ -0.0068210800000000, 0.0008566600000000, -0.0008785100000000 ] - [ -0.0006860300000000, -0.0013696200000000, -0.0000905300000000 ] - [ -0.0006431700000000, -0.0010812200000000, -0.0010406300000000 ] - [ -0.0001171900000000, -0.0015836700000000, -0.0004342200000000 ]- atom: 9 displacement: [ -0.0099846139444728, 0.0000000000000000, -0.0005545127409173 ] forces: - [ 0.0000361000000000, -0.0013845200000000, -0.0063928400000000 ] - [ -0.0009542700000000, -0.0011097500000000, -0.0027977500000000 ] - [ -0.0258403000000000, -0.0027663900000000, 0.0137690500000000 ] - [ -0.0015002800000000, -0.0012977100000000, -0.0022659900000000 ] - [ -0.0149799600000000, -0.0144738000000000, -0.0165613700000000 ] - [ -0.0005020700000000, 0.0033742300000000, -0.0023741300000000 ] - [ -0.0023520400000000, 0.0005911400000000, -0.0017767300000000 ] - [ -0.0012796700000000, 0.0011591300000000, -0.0025892100000000 ] - [ 0.1343617000000000, 0.0179408200000000, 0.0318507500000000 ] - [ 0.0025371600000000, -0.0009509200000000, -0.0007576300000000 ] - [ 0.0024724300000000, -0.0001947000000000, -0.0004547100000000 ] - [ 0.0018643500000000, -0.0004542100000000, -0.0010953600000000 ] - [ 0.0069805300000000, -0.0097737900000000, 0.0092858300000000 ] - [ 0.0070482400000000, 0.0050750800000000, 0.0083108800000000 ] - [ -0.0012675000000000, -0.0004170800000000, 0.0012299100000000 ] - [ -0.0012670700000000, -0.0003579600000000, 0.0012444400000000 ] - [ 0.0102450900000000, 0.0055675300000000, -0.0005571300000000 ] - [ 0.0025145100000000, 0.0004015600000000, -0.0006565300000000 ] - [ 0.0101444800000000, -0.0048116900000000, 0.0007686000000000 ] - [ 0.0025337100000000, 0.0004337900000000, -0.0010479500000000 ] - [ 0.0035374100000000, -0.0046500300000000, 0.0047402000000000 ] - [ -0.0011794700000000, 0.0003319700000000, 0.0013406800000000 ] - [ 0.0112526300000000, 0.0035631600000000, -0.0037902500000000 ] - [ -0.0006296000000000, 0.0003282300000000, 0.0011519900000000 ] - [ -0.0034408100000000, -0.0035220200000000, 0.0037319800000000 ] - [ -0.0014856900000000, 0.0002972100000000, 0.0037929300000000 ] - [ 0.0006555000000000, -0.0018641200000000, 0.0010785200000000 ] - [ 0.0011183800000000, -0.0004565700000000, 0.0006961300000000 ] - [ -0.0147719500000000, -0.0060548100000000, -0.0041099800000000 ] - [ -0.0002199300000000, 0.0029314400000000, 0.0023088000000000 ] - [ -0.0006498500000000, 0.0011024100000000, 0.0029187900000000 ] - [ 0.0006318100000000, 0.0010849100000000, 0.0023623400000000 ] - [ -0.0001792400000000, 0.0017029600000000, -0.0017201300000000 ] - [ -0.0004456600000000, -0.0002501000000000, -0.0021617200000000 ] - [ -0.0008801800000000, 0.0042606600000000, 0.0007077900000000 ] - [ -0.0008478300000000, -0.0041300600000000, 0.0024186700000000 ] - [ -0.0095495600000000, 0.0215806300000000, -0.0271802700000000 ] - [ -0.0001447500000000, -0.0024825600000000, -0.0009914500000000 ] - [ -0.0008779800000000, 0.0003409500000000, 0.0001103700000000 ] - [ -0.0009228500000000, -0.0011300500000000, -0.0008676000000000 ] - [ -0.0176823000000000, 0.0003788000000000, 0.0060047500000000 ] - [ 0.0007951900000000, 0.0010036200000000, 0.0013243900000000 ] - [ 0.0014249100000000, 0.0019641300000000, -0.0017562000000000 ] - [ 0.0010741600000000, 0.0009235800000000, 0.0006507200000000 ] - [ -0.0152861200000000, 0.0085684500000000, -0.0046099800000000 ] - [ 0.0006022100000000, -0.0028623100000000, 0.0003069800000000 ] - [ 0.0002016300000000, -0.0010363200000000, 0.0013505300000000 ] - [ 0.0008586400000000, -0.0011642600000000, 0.0009218100000000 ] - [ 0.0036258600000000, -0.0044746600000000, 0.0026544700000000 ] - [ 0.0009372100000000, 0.0038672700000000, 0.0006574100000000 ] - [ 0.0005304400000000, 0.0007485000000000, 0.0002132500000000 ] - [ 0.0004786700000000, 0.0015304700000000, 0.0003104600000000 ] - [ 0.0049495500000000, 0.0044379400000000, -0.0003367700000000 ] - [ 0.0007360000000000, -0.0014966300000000, 0.0014265300000000 ] - [ 0.0007144200000000, -0.0004399800000000, 0.0025540300000000 ] - [ 0.0005523900000000, -0.0009759400000000, 0.0020555700000000 ] - [ -0.0292747000000000, 0.0003190700000000, -0.0007854700000000 ] - [ -0.0013552900000000, 0.0003633100000000, -0.0002076000000000 ] - [ -0.0015710400000000, -0.0000926600000000, -0.0000430600000000 ] - [ -0.0010874100000000, 0.0001872700000000, 0.0000854100000000 ] - [ 0.0001982600000000, -0.0021130000000000, 0.0010608600000000 ] - [ 0.0002556100000000, -0.0008472100000000, 0.0004672800000000 ] - [ 0.0047772000000000, -0.0039140800000000, -0.0010015500000000 ] - [ 0.0011331000000000, 0.0003689400000000, -0.0001772600000000 ] - [ -0.0128092000000000, -0.0060531900000000, 0.0028275900000000 ] - [ 0.0005965300000000, 0.0001606800000000, -0.0002617800000000 ] - [ 0.0006334300000000, -0.0006555700000000, 0.0000541800000000 ] - [ 0.0015003600000000, -0.0001608000000000, 0.0001194100000000 ] - [ -0.0135923600000000, 0.0009985000000000, 0.0002472400000000 ] - [ -0.0008134400000000, 0.0009774100000000, 0.0000377800000000 ] - [ 0.0006811600000000, -0.0000824500000000, 0.0010654000000000 ] - [ 0.0010495600000000, -0.0001110600000000, 0.0013144800000000 ] - [ 0.0019850700000000, 0.0016860200000000, 0.0115837000000000 ] - [ 0.0005204500000000, 0.0010067400000000, 0.0021367400000000 ] - [ 0.0021604700000000, -0.0001275900000000, -0.0006320700000000 ] - [ 0.0007260200000000, 0.0009094000000000, 0.0017479800000000 ] - [ -0.0025290900000000, 0.0010000900000000, 0.0028263300000000 ] - [ -0.0015053000000000, -0.0006163300000000, 0.0004171100000000 ] - [ -0.0007416200000000, 0.0014563500000000, -0.0022386400000000 ] - [ -0.0011992500000000, -0.0004051300000000, -0.0002107500000000 ] - [ 0.0005785300000000, 0.0005709700000000, -0.0000246000000000 ] - [ 0.0008467200000000, 0.0002747500000000, 0.0000355000000000 ] - [ -0.0017602300000000, -0.0007589200000000, -0.0007858900000000 ] - [ -0.0010966900000000, 0.0012124300000000, -0.0007695400000000 ] - [ -0.0012277500000000, -0.0002584200000000, 0.0003257000000000 ] - [ 0.0009371300000000, 0.0002083300000000, 0.0012280400000000 ] - [ -0.0178282900000000, -0.0011179000000000, 0.0004190700000000 ] - [ 0.0008655500000000, 0.0002765000000000, 0.0013204200000000 ] - [ -0.0230813900000000, -0.0147878900000000, -0.0113773600000000 ] - [ -0.0019388600000000, -0.0001762000000000, -0.0018899300000000 ] - [ -0.0014070000000000, -0.0001837800000000, -0.0019143900000000 ] - [ -0.0012728200000000, -0.0000938300000000, -0.0013989200000000 ] - [ -0.0130562400000000, -0.0010243600000000, -0.0007681000000000 ] - [ -0.0023139900000000, 0.0005187900000000, -0.0001387300000000 ] - [ -0.0019420600000000, -0.0005228300000000, -0.0007435100000000 ] - [ -0.0016751200000000, -0.0001637600000000, -0.0002604600000000 ] - [ 0.0020775400000000, 0.0025271400000000, -0.0005087800000000 ] - [ 0.0036113300000000, -0.0038033600000000, -0.0017008000000000 ] - [ 0.0008741700000000, 0.0003720000000000, 0.0001638800000000 ] - [ 0.0009297700000000, 0.0002302500000000, 0.0001338400000000 ] - [ 0.0061050700000000, 0.0013454500000000, -0.0033293600000000 ] - [ -0.0001507400000000, -0.0012131700000000, -0.0022962100000000 ] - [ -0.0004988000000000, -0.0008772500000000, -0.0009448300000000 ] - [ -0.0005829600000000, -0.0008465500000000, -0.0016280800000000 ] - [ -0.0024056000000000, 0.0006351800000000, -0.0024969100000000 ] - [ -0.0026143900000000, -0.0004147900000000, -0.0019388900000000 ] - [ -0.0017508300000000, 0.0000028400000000, -0.0015728400000000 ] - [ -0.0027318200000000, 0.0007634600000000, -0.0013312100000000 ] - [ -0.0033127200000000, -0.0007818600000000, -0.0115280200000000 ] - [ -0.0017758200000000, 0.0003465900000000, -0.0003654500000000 ] - [ -0.0035522600000000, -0.0002517900000000, -0.0005514900000000 ] - [ -0.0018979200000000, 0.0002430600000000, -0.0002089800000000 ] - [ 0.0090879400000000, 0.0012952000000000, 0.0021779800000000 ] - [ 0.0006367700000000, 0.0017375500000000, -0.0000754600000000 ] - [ 0.0009848600000000, 0.0013645700000000, 0.0001136400000000 ] - [ 0.0001659200000000, 0.0013961700000000, -0.0001498700000000 ] - [ 0.0038898000000000, 0.0027143000000000, -0.0027271900000000 ] - [ 0.0010457200000000, -0.0002411200000000, -0.0002711900000000 ] - [ 0.0011363000000000, -0.0000130600000000, 0.0038305500000000 ] - [ 0.0006649800000000, -0.0004810100000000, 0.0003234300000000 ] - [ -0.0000219000000000, 0.0011564900000000, -0.0020211300000000 ] - [ -0.0002396700000000, 0.0007591300000000, -0.0022432100000000 ] - [ 0.0001221400000000, 0.0020994500000000, -0.0007840600000000 ] - [ 0.0013742100000000, -0.0016947300000000, 0.0000812600000000 ] - [ 0.0067747400000000, -0.0034049600000000, 0.0004453800000000 ] - [ 0.0006772800000000, -0.0012011500000000, -0.0003212100000000 ] - [ 0.0006076300000000, -0.0014681300000000, 0.0006182700000000 ] - [ 0.0001248600000000, -0.0010321300000000, 0.0000184700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003517300000000, -0.0048059700000000, -0.0030870100000000 ] - [ -0.0010804100000000, 0.0013762600000000, -0.0023444700000000 ] - [ -0.0024139400000000, -0.0102859800000000, -0.0023250100000000 ] - [ -0.0007789200000000, 0.0033866300000000, -0.0024201200000000 ] - [ 0.0192441200000000, -0.0056917900000000, 0.0059365900000000 ] - [ -0.0023562000000000, 0.0059842600000000, -0.0037592800000000 ] - [ -0.0006319200000000, -0.0007494500000000, -0.0030136700000000 ] - [ -0.0014219500000000, 0.0026876500000000, -0.0015986800000000 ] - [ -0.0139634100000000, -0.1696245700000000, -0.0337775400000000 ] - [ 0.0022532800000000, 0.0068887500000000, -0.0004728400000000 ] - [ 0.0015157000000000, -0.0032479700000000, -0.0005945500000000 ] - [ 0.0017812100000000, 0.0018863000000000, -0.0008435900000000 ] - [ 0.0040889500000000, 0.0346475800000000, -0.0054960700000000 ] - [ -0.0112106600000000, 0.0351299300000000, 0.0006547800000000 ] - [ -0.0017402800000000, -0.0000175400000000, 0.0018457900000000 ] - [ -0.0017651100000000, -0.0000306500000000, 0.0011792800000000 ] - [ -0.0043654800000000, -0.0027948300000000, 0.0151202900000000 ] - [ 0.0019380300000000, 0.0049099300000000, -0.0039081500000000 ] - [ 0.0075295900000000, -0.0028292600000000, -0.0115917100000000 ] - [ 0.0016099800000000, 0.0049044300000000, 0.0012973800000000 ] - [ 0.0037407800000000, -0.0048568600000000, -0.0065807800000000 ] - [ -0.0018056700000000, 0.0047308000000000, 0.0034948700000000 ] - [ -0.0061205400000000, -0.0010411000000000, 0.0238108200000000 ] - [ -0.0015477500000000, 0.0045178500000000, -0.0012246900000000 ] - [ 0.0022634000000000, -0.0004769300000000, -0.0002496600000000 ] - [ -0.0016897700000000, 0.0003142500000000, 0.0052516300000000 ] - [ 0.0016984700000000, -0.0003662700000000, 0.0047789200000000 ] - [ 0.0008251000000000, -0.0004092800000000, -0.0004251000000000 ] - [ 0.0172996600000000, -0.0015784900000000, 0.0072452500000000 ] - [ -0.0002834100000000, 0.0066487100000000, 0.0016161600000000 ] - [ 0.0009563600000000, -0.0003142200000000, 0.0023325900000000 ] - [ 0.0009194900000000, 0.0025966900000000, 0.0030767400000000 ] - [ -0.0016723500000000, 0.0015296900000000, -0.0026813100000000 ] - [ -0.0002866000000000, 0.0023841300000000, 0.0015283200000000 ] - [ -0.0063192400000000, 0.0043194500000000, -0.0000371700000000 ] - [ 0.0028190700000000, 0.0030309900000000, -0.0042669600000000 ] - [ -0.0250622500000000, -0.0053863300000000, -0.0107578800000000 ] - [ 0.0009268800000000, 0.0039966700000000, -0.0006675700000000 ] - [ -0.0015994600000000, -0.0028840200000000, -0.0005801900000000 ] - [ -0.0006720700000000, 0.0008476400000000, -0.0010941000000000 ] - [ -0.0011151400000000, -0.0069209100000000, -0.0011524800000000 ] - [ 0.0009166900000000, 0.0050043100000000, 0.0012183300000000 ] - [ 0.0006879800000000, -0.0037238900000000, 0.0022377800000000 ] - [ 0.0009216000000000, 0.0035680200000000, 0.0005115500000000 ] - [ -0.0182299400000000, -0.0003016100000000, -0.0030998700000000 ] - [ 0.0023206000000000, 0.0040620000000000, 0.0028118500000000 ] - [ 0.0000824200000000, -0.0025324700000000, 0.0015441900000000 ] - [ 0.0011980400000000, 0.0007563500000000, 0.0006475400000000 ] - [ 0.0040663500000000, -0.0004551900000000, 0.0010021700000000 ] - [ -0.0006320200000000, -0.0008605200000000, -0.0004244500000000 ] - [ -0.0002719000000000, 0.0015796400000000, -0.0002042100000000 ] - [ 0.0004467000000000, 0.0007186500000000, 0.0006048700000000 ] - [ -0.0031661000000000, 0.0001889300000000, 0.0036251000000000 ] - [ 0.0012708200000000, -0.0032723600000000, 0.0020353400000000 ] - [ 0.0004703800000000, 0.0001795200000000, 0.0006172200000000 ] - [ 0.0007597600000000, -0.0015403700000000, 0.0020681200000000 ] - [ -0.0017450100000000, 0.0183327800000000, -0.0015315200000000 ] - [ -0.0012831300000000, -0.0024847100000000, 0.0005117500000000 ] - [ -0.0008897700000000, 0.0014700400000000, -0.0003659600000000 ] - [ -0.0010605900000000, -0.0008706900000000, 0.0001134500000000 ] - [ 0.0002274700000000, -0.0004877700000000, 0.0007718300000000 ] - [ -0.0003936900000000, -0.0027042200000000, -0.0002434700000000 ] - [ -0.0008796200000000, -0.0001483900000000, -0.0004735500000000 ] - [ -0.0004454400000000, -0.0038787700000000, 0.0004790300000000 ] - [ 0.0070476300000000, 0.0066825300000000, 0.0088309900000000 ] - [ 0.0001144300000000, -0.0050286800000000, -0.0011282800000000 ] - [ 0.0029873000000000, 0.0004757600000000, -0.0013117700000000 ] - [ 0.0012293500000000, -0.0011173700000000, 0.0005519200000000 ] - [ 0.0049840100000000, 0.0312122700000000, 0.0123705900000000 ] - [ 0.0032232600000000, -0.0069088100000000, 0.0031619200000000 ] - [ 0.0008166200000000, 0.0009408700000000, 0.0026696200000000 ] - [ 0.0014467800000000, -0.0012341100000000, 0.0005959400000000 ] - [ 0.0025224100000000, 0.0078728800000000, 0.0042609700000000 ] - [ 0.0003976600000000, -0.0016988200000000, 0.0015468700000000 ] - [ 0.0007022800000000, 0.0023833000000000, 0.0017934000000000 ] - [ 0.0006699200000000, -0.0007014500000000, 0.0017044600000000 ] - [ -0.0029595600000000, -0.0002887300000000, -0.0046798300000000 ] - [ -0.0006192200000000, -0.0013759300000000, 0.0012244300000000 ] - [ -0.0017101200000000, 0.0019753100000000, 0.0015436300000000 ] - [ 0.0003320700000000, -0.0026766800000000, -0.0014687700000000 ] - [ 0.0016869800000000, 0.0000314900000000, 0.0014115200000000 ] - [ 0.0014263800000000, -0.0008623400000000, -0.0011257800000000 ] - [ 0.0054901700000000, -0.0049623600000000, -0.0040666800000000 ] - [ -0.0007875100000000, -0.0031102800000000, 0.0039681800000000 ] - [ 0.0011307200000000, 0.0047020100000000, 0.0008610500000000 ] - [ 0.0007788700000000, -0.0023068200000000, 0.0013265700000000 ] - [ 0.0042030700000000, 0.0190256700000000, -0.0008000200000000 ] - [ 0.0008203100000000, -0.0028593400000000, 0.0014757000000000 ] - [ 0.0091029800000000, 0.0289038500000000, 0.0088272800000000 ] - [ -0.0013500600000000, -0.0066163500000000, 0.0007740100000000 ] - [ -0.0013894400000000, 0.0009491900000000, -0.0002121000000000 ] - [ -0.0011850300000000, -0.0012103500000000, -0.0019857600000000 ] - [ -0.0002953800000000, 0.0154359700000000, -0.0007652100000000 ] - [ -0.0017481900000000, -0.0041622900000000, -0.0011805100000000 ] - [ -0.0006586800000000, 0.0009219200000000, -0.0017626900000000 ] - [ -0.0016965000000000, -0.0012432800000000, 0.0001840700000000 ] - [ -0.0026993300000000, -0.0031813100000000, -0.0001331300000000 ] - [ 0.0066625100000000, -0.0035471900000000, -0.0014011900000000 ] - [ 0.0009272200000000, -0.0001388600000000, -0.0004607500000000 ] - [ 0.0011251500000000, 0.0002120200000000, 0.0000467300000000 ] - [ -0.0026384800000000, 0.0026725600000000, 0.0010437900000000 ] - [ -0.0003468600000000, -0.0033653300000000, -0.0025868300000000 ] - [ -0.0006244700000000, 0.0001236800000000, -0.0030211000000000 ] - [ -0.0006253800000000, -0.0019100500000000, -0.0017814800000000 ] - [ -0.0037574000000000, -0.0018264100000000, 0.0028323200000000 ] - [ 0.0021159100000000, -0.0032346200000000, -0.0053218900000000 ] - [ -0.0014730100000000, -0.0012230700000000, -0.0033170400000000 ] - [ -0.0016941000000000, -0.0002622100000000, 0.0000746500000000 ] - [ 0.0007798800000000, 0.0119755500000000, -0.0004784800000000 ] - [ -0.0020722300000000, -0.0021394200000000, -0.0002699000000000 ] - [ -0.0013302000000000, 0.0033269700000000, -0.0002426800000000 ] - [ -0.0022003000000000, -0.0015524100000000, -0.0003287600000000 ] - [ 0.0048098800000000, 0.0093113100000000, 0.0003731900000000 ] - [ -0.0007111200000000, -0.0022800700000000, -0.0004484400000000 ] - [ 0.0004626000000000, 0.0030391900000000, -0.0001614200000000 ] - [ -0.0002174300000000, -0.0001111700000000, -0.0002383300000000 ] - [ 0.0015473700000000, 0.0026130700000000, -0.0003092700000000 ] - [ 0.0012666100000000, -0.0019124900000000, -0.0002785200000000 ] - [ -0.0008023600000000, 0.0026182800000000, -0.0050766500000000 ] - [ 0.0010680500000000, -0.0017702200000000, 0.0011498600000000 ] - [ -0.0008461300000000, 0.0003153400000000, -0.0007668700000000 ] - [ -0.0002895300000000, 0.0011053000000000, -0.0030573200000000 ] - [ -0.0012077400000000, -0.0009575400000000, -0.0036128100000000 ] - [ 0.0021402400000000, -0.0024244300000000, 0.0015331000000000 ] - [ -0.0020635600000000, 0.0024263500000000, -0.0010328400000000 ] - [ 0.0005691700000000, -0.0039925400000000, 0.0002400700000000 ] - [ -0.0004350200000000, 0.0008640900000000, 0.0001537000000000 ] - [ 0.0003191200000000, -0.0029288300000000, -0.0003933600000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016312700000000, 0.0026764700000000, -0.0018718300000000 ] - [ -0.0008922300000000, -0.0035009800000000, -0.0026002800000000 ] - [ 0.0002618900000000, 0.0081116600000000, -0.0025583100000000 ] - [ -0.0011960500000000, -0.0055083100000000, -0.0025332600000000 ] - [ -0.0211398400000000, 0.0077070900000000, -0.0108700200000000 ] - [ 0.0003874200000000, -0.0038330100000000, -0.0011840500000000 ] - [ -0.0013584600000000, 0.0028614100000000, -0.0019308100000000 ] - [ -0.0005492300000000, -0.0005502200000000, -0.0033546600000000 ] - [ 0.0182478700000000, 0.1686158800000000, 0.0314395600000000 ] - [ 0.0011416800000000, -0.0075917300000000, -0.0017635300000000 ] - [ 0.0018828100000000, 0.0025390400000000, -0.0016265700000000 ] - [ 0.0016113600000000, -0.0025927400000000, -0.0013940800000000 ] - [ -0.0076241900000000, -0.0358209400000000, 0.0077801300000000 ] - [ 0.0076714800000000, -0.0353400400000000, 0.0016312000000000 ] - [ -0.0016593800000000, -0.0006809600000000, 0.0003954800000000 ] - [ -0.0016287900000000, -0.0006902400000000, 0.0010619400000000 ] - [ 0.0077496900000000, 0.0034663700000000, -0.0172867200000000 ] - [ 0.0014609000000000, -0.0041937900000000, 0.0016913000000000 ] - [ -0.0040864300000000, 0.0034300200000000, 0.0093482000000000 ] - [ 0.0017792700000000, -0.0041985000000000, -0.0035604300000000 ] - [ -0.0071400400000000, 0.0055897100000000, 0.0088297700000000 ] - [ -0.0015871900000000, -0.0040160000000000, -0.0012389300000000 ] - [ 0.0027690700000000, 0.0018719500000000, -0.0216376100000000 ] - [ -0.0018541800000000, -0.0038104600000000, 0.0034361200000000 ] - [ -0.0003078500000000, -0.0016277100000000, 0.0052054900000000 ] - [ 0.0036508700000000, -0.0024557900000000, -0.0002859700000000 ] - [ 0.0002834700000000, -0.0017641600000000, 0.0001705500000000 ] - [ 0.0011572400000000, -0.0017252100000000, 0.0053716700000000 ] - [ -0.0153688100000000, 0.0037183700000000, -0.0023057800000000 ] - [ 0.0022502200000000, -0.0045207700000000, 0.0033176400000000 ] - [ 0.0010241900000000, 0.0024377300000000, 0.0026164100000000 ] - [ 0.0010480600000000, -0.0004695200000000, 0.0018897400000000 ] - [ -0.0001201600000000, 0.0004021200000000, 0.0007399000000000 ] - [ -0.0014980400000000, -0.0004469800000000, -0.0034611400000000 ] - [ 0.0045944100000000, -0.0023564900000000, -0.0018966400000000 ] - [ -0.0045688900000000, -0.0011136400000000, 0.0023000800000000 ] - [ 0.0233972900000000, 0.0036199400000000, 0.0087398400000000 ] - [ -0.0026992700000000, -0.0059260200000000, -0.0012663000000000 ] - [ -0.0001985800000000, 0.0009772600000000, -0.0013431500000000 ] - [ -0.0011196200000000, -0.0027734300000000, -0.0008505800000000 ] - [ 0.0029259300000000, 0.0088555600000000, 0.0030705900000000 ] - [ 0.0008728300000000, -0.0030748500000000, 0.0007252100000000 ] - [ 0.0011168600000000, 0.0056620500000000, -0.0002963500000000 ] - [ 0.0008677200000000, -0.0016359200000000, 0.0014216900000000 ] - [ 0.0199482900000000, -0.0016378600000000, 0.0049820200000000 ] - [ -0.0005327600000000, -0.0059759400000000, -0.0008824800000000 ] - [ 0.0017081200000000, 0.0006129400000000, 0.0004050100000000 ] - [ 0.0005926900000000, -0.0026766800000000, 0.0012980900000000 ] - [ -0.0040653100000000, 0.0030144100000000, -0.0005856300000000 ] - [ 0.0006334800000000, 0.0034494300000000, 0.0008291800000000 ] - [ 0.0002778200000000, 0.0009934300000000, 0.0006086200000000 ] - [ -0.0004765300000000, 0.0019246800000000, -0.0002071700000000 ] - [ 0.0043682800000000, -0.0017454900000000, 0.0000974800000000 ] - [ -0.0000398300000000, 0.0016700000000000, 0.0016863300000000 ] - [ 0.0007749300000000, -0.0017873800000000, 0.0031180300000000 ] - [ 0.0004695600000000, -0.0000310900000000, 0.0016212100000000 ] - [ -0.0000691300000000, -0.0180449600000000, 0.0016796300000000 ] - [ -0.0007265600000000, 0.0028458100000000, -0.0004459900000000 ] - [ -0.0011147900000000, -0.0011068000000000, 0.0004242400000000 ] - [ -0.0009417300000000, 0.0011979300000000, -0.0000141400000000 ] - [ -0.0002521200000000, -0.0021506200000000, -0.0003648800000000 ] - [ 0.0004003900000000, 0.0001333700000000, 0.0006487400000000 ] - [ 0.0008750100000000, -0.0024960500000000, 0.0008677000000000 ] - [ 0.0004338000000000, 0.0012718300000000, -0.0000693000000000 ] - [ -0.0037055800000000, -0.0077353000000000, -0.0080141600000000 ] - [ 0.0031294300000000, 0.0045385800000000, 0.0015336000000000 ] - [ 0.0002679500000000, -0.0009606000000000, 0.0017184500000000 ] - [ 0.0020852700000000, 0.0006569400000000, -0.0001257500000000 ] - [ -0.0021642100000000, -0.0298415600000000, -0.0084126000000000 ] - [ -0.0008348900000000, 0.0066286600000000, -0.0004663200000000 ] - [ 0.0015879900000000, -0.0012359700000000, 0.0000336800000000 ] - [ 0.0009552000000000, 0.0009326800000000, 0.0021228800000000 ] - [ -0.0012974400000000, -0.0062798300000000, -0.0005048600000000 ] - [ 0.0008416600000000, 0.0032998000000000, 0.0021816800000000 ] - [ 0.0005584300000000, -0.0007865400000000, 0.0019111500000000 ] - [ 0.0005590900000000, 0.0022721500000000, 0.0019899700000000 ] - [ 0.0009500000000000, -0.0000860000000000, 0.0047306900000000 ] - [ -0.0013911700000000, 0.0010388800000000, -0.0011237300000000 ] - [ -0.0002925800000000, -0.0022814600000000, -0.0014514100000000 ] - [ -0.0023473600000000, 0.0023264800000000, 0.0015485900000000 ] - [ 0.0016262700000000, 0.0004297100000000, -0.0009907900000000 ] - [ 0.0018203700000000, 0.0013482300000000, 0.0015291900000000 ] - [ -0.0022477800000000, 0.0054813700000000, 0.0045449800000000 ] - [ 0.0040562000000000, 0.0035569100000000, -0.0035068800000000 ] - [ 0.0012635700000000, -0.0044002800000000, 0.0018487600000000 ] - [ 0.0016204700000000, 0.0026035200000000, 0.0013758800000000 ] - [ -0.0017866700000000, -0.0187398400000000, 0.0034094700000000 ] - [ 0.0015777800000000, 0.0031544000000000, 0.0012449500000000 ] - [ -0.0125490700000000, -0.0307216100000000, -0.0125721500000000 ] - [ -0.0010420200000000, 0.0062854200000000, -0.0034654800000000 ] - [ -0.0010114600000000, -0.0012498800000000, -0.0025033600000000 ] - [ -0.0012123500000000, 0.0009160200000000, -0.0007356300000000 ] - [ -0.0034093800000000, -0.0152585400000000, -0.0001848900000000 ] - [ -0.0015559600000000, 0.0036990800000000, 0.0007727300000000 ] - [ -0.0026465800000000, -0.0013826500000000, 0.0013373800000000 ] - [ -0.0015858200000000, 0.0007700600000000, -0.0006052700000000 ] - [ 0.0047255500000000, 0.0035090700000000, 0.0000351400000000 ] - [ -0.0046174500000000, 0.0038683100000000, 0.0013061900000000 ] - [ 0.0010785100000000, 0.0004834900000000, 0.0003830900000000 ] - [ 0.0008780900000000, 0.0001193200000000, -0.0001519600000000 ] - [ 0.0014201100000000, -0.0042904400000000, -0.0047617300000000 ] - [ -0.0008835900000000, 0.0017772900000000, -0.0011256300000000 ] - [ -0.0006140600000000, -0.0017207600000000, -0.0006924700000000 ] - [ -0.0006135200000000, 0.0003201800000000, -0.0019347200000000 ] - [ 0.0013676200000000, 0.0021292300000000, -0.0055712800000000 ] - [ -0.0044946800000000, 0.0035301600000000, 0.0025751500000000 ] - [ -0.0009255500000000, 0.0015048500000000, 0.0005986400000000 ] - [ -0.0007186600000000, 0.0005847600000000, -0.0027860900000000 ] - [ -0.0039884200000000, -0.0114726800000000, 0.0000395100000000 ] - [ -0.0012136200000000, 0.0026057200000000, -0.0001544400000000 ] - [ -0.0019628400000000, -0.0028571600000000, -0.0001920000000000 ] - [ -0.0010776900000000, 0.0020230800000000, -0.0000835900000000 ] - [ -0.0047498300000000, -0.0066704100000000, -0.0007740800000000 ] - [ 0.0007416000000000, 0.0049119600000000, 0.0000458700000000 ] - [ -0.0004305900000000, -0.0004033400000000, -0.0002397800000000 ] - [ 0.0002253100000000, 0.0027165300000000, -0.0001642100000000 ] - [ 0.0004554200000000, -0.0029736900000000, 0.0002325000000000 ] - [ 0.0007438000000000, 0.0015747200000000, 0.0001833300000000 ] - [ 0.0028059200000000, -0.0029648300000000, 0.0050031900000000 ] - [ 0.0009381300000000, 0.0014250500000000, -0.0012230500000000 ] - [ -0.0003880100000000, 0.0012679700000000, -0.0029491800000000 ] - [ -0.0009394700000000, 0.0004745600000000, -0.0006435900000000 ] - [ -0.0000257200000000, 0.0025155700000000, -0.0000756100000000 ] - [ -0.0033840200000000, 0.0040137400000000, -0.0052257800000000 ] - [ 0.0020583600000000, -0.0050047600000000, 0.0006291200000000 ] - [ -0.0005438400000000, 0.0013655300000000, -0.0006455100000000 ] - [ 0.0004412400000000, -0.0034586700000000, -0.0005591500000000 ] - [ -0.0003151100000000, 0.0003316100000000, -0.0000108700000000 ]- atom: 9 displacement: [ -0.0019782548681478, 0.0000000000000000, 0.0098023725534510 ] forces: - [ 0.0000645400000000, -0.0008827800000000, 0.0038910700000000 ] - [ -0.0010012900000000, -0.0010055900000000, -0.0011196400000000 ] - [ -0.0216962600000000, -0.0026466000000000, -0.0101774200000000 ] - [ -0.0008058100000000, -0.0009586800000000, -0.0037526700000000 ] - [ 0.0129376800000000, 0.0058476900000000, -0.0043080700000000 ] - [ -0.0007823900000000, -0.0010876500000000, -0.0044712500000000 ] - [ -0.0021855900000000, -0.0000252200000000, 0.0022444800000000 ] - [ -0.0011993800000000, 0.0017394300000000, -0.0005371100000000 ] - [ 0.0021856000000000, -0.0293182700000000, -0.1198224000000000 ] - [ 0.0016499300000000, 0.0001728400000000, -0.0037326200000000 ] - [ 0.0007482100000000, 0.0001888900000000, 0.0069748400000000 ] - [ 0.0015854000000000, -0.0001024200000000, 0.0010860000000000 ] - [ -0.0061069100000000, -0.0016871700000000, -0.0153119800000000 ] - [ -0.0070626000000000, 0.0072616200000000, -0.0155000300000000 ] - [ -0.0019932700000000, -0.0004319000000000, 0.0058732600000000 ] - [ -0.0019782100000000, -0.0010643000000000, 0.0058782300000000 ] - [ 0.0005580500000000, 0.0118302300000000, 0.0164234200000000 ] - [ 0.0017533200000000, -0.0020435100000000, -0.0003757600000000 ] - [ 0.0018154700000000, -0.0166555100000000, 0.0165484900000000 ] - [ 0.0013639200000000, 0.0031418700000000, -0.0004385100000000 ] - [ -0.0049457900000000, -0.0083077900000000, 0.0141537000000000 ] - [ -0.0019018800000000, 0.0027000000000000, 0.0026515300000000 ] - [ 0.0041216000000000, 0.0233515200000000, 0.0292181400000000 ] - [ -0.0014763600000000, -0.0019557400000000, 0.0004439300000000 ] - [ 0.0014327400000000, -0.0045429900000000, 0.0002930700000000 ] - [ 0.0004160200000000, 0.0026230700000000, -0.0001757200000000 ] - [ 0.0019127600000000, 0.0006930500000000, 0.0051913700000000 ] - [ 0.0015127800000000, -0.0027082900000000, 0.0054873200000000 ] - [ 0.0100217300000000, 0.0042641600000000, -0.0022482500000000 ] - [ 0.0006066500000000, -0.0005514900000000, 0.0002314900000000 ] - [ -0.0001354300000000, 0.0002540100000000, 0.0080151400000000 ] - [ 0.0011476700000000, 0.0016236600000000, 0.0044634600000000 ] - [ -0.0001376400000000, -0.0005266900000000, 0.0012107400000000 ] - [ -0.0002637600000000, 0.0027153000000000, 0.0028194700000000 ] - [ -0.0039553400000000, 0.0046358700000000, -0.0032017500000000 ] - [ -0.0023005300000000, -0.0017948500000000, -0.0048487500000000 ] - [ 0.0198679800000000, -0.0055735200000000, -0.0007079900000000 ] - [ -0.0004826900000000, 0.0012674600000000, -0.0020098900000000 ] - [ -0.0023986600000000, 0.0000521600000000, 0.0032158000000000 ] - [ -0.0008172800000000, -0.0019122800000000, 0.0002452800000000 ] - [ -0.0182795100000000, -0.0047352400000000, -0.0032908600000000 ] - [ 0.0007450800000000, 0.0008952400000000, -0.0000200700000000 ] - [ 0.0036478000000000, 0.0009211700000000, 0.0056325000000000 ] - [ 0.0010929500000000, 0.0011282200000000, 0.0019070400000000 ] - [ 0.0123117600000000, -0.0066897900000000, -0.0022224500000000 ] - [ 0.0009611200000000, 0.0002923900000000, -0.0006800100000000 ] - [ 0.0000365200000000, 0.0005320600000000, 0.0040177200000000 ] - [ 0.0010690900000000, -0.0012799000000000, 0.0029465100000000 ] - [ -0.0037198100000000, 0.0044382300000000, 0.0006885400000000 ] - [ -0.0006571100000000, -0.0006789000000000, 0.0008494400000000 ] - [ 0.0001060600000000, 0.0004373100000000, -0.0007075600000000 ] - [ -0.0001731000000000, 0.0021401800000000, -0.0007727300000000 ] - [ 0.0003714100000000, 0.0002729700000000, 0.0084404700000000 ] - [ 0.0008473100000000, -0.0018017200000000, 0.0043324900000000 ] - [ 0.0008316000000000, -0.0005712700000000, -0.0016869900000000 ] - [ 0.0005606100000000, -0.0001978400000000, 0.0001351200000000 ] - [ -0.0105114200000000, -0.0012612200000000, 0.0166566800000000 ] - [ -0.0012540900000000, -0.0003494600000000, 0.0015730200000000 ] - [ -0.0006434700000000, 0.0009661100000000, -0.0036662700000000 ] - [ -0.0008602300000000, 0.0004396600000000, -0.0012039700000000 ] - [ -0.0002066200000000, -0.0004851400000000, -0.0012146100000000 ] - [ -0.0005386000000000, -0.0022176000000000, -0.0006172000000000 ] - [ 0.0005042300000000, -0.0032468900000000, 0.0019450700000000 ] - [ 0.0005787500000000, -0.0000839500000000, 0.0010683200000000 ] - [ -0.0030780500000000, 0.0049698700000000, 0.0087202500000000 ] - [ 0.0017393800000000, -0.0018877000000000, 0.0011696700000000 ] - [ 0.0026673100000000, -0.0011756200000000, -0.0037158100000000 ] - [ 0.0017713700000000, 0.0002253800000000, -0.0007162000000000 ] - [ 0.0036231800000000, 0.0095998200000000, 0.0214965300000000 ] - [ 0.0021836200000000, 0.0001942800000000, 0.0036588500000000 ] - [ 0.0021300600000000, 0.0001239200000000, -0.0034183700000000 ] - [ 0.0014115800000000, -0.0005229400000000, -0.0000645100000000 ] - [ -0.0023433400000000, 0.0006459000000000, 0.0008885800000000 ] - [ 0.0006502900000000, 0.0005352900000000, 0.0018697400000000 ] - [ 0.0027013600000000, 0.0003291600000000, -0.0012403800000000 ] - [ 0.0005761100000000, 0.0008124800000000, 0.0015232300000000 ] - [ -0.0030790400000000, -0.0018993700000000, -0.0036746300000000 ] - [ -0.0012921000000000, 0.0006789600000000, -0.0004136900000000 ] - [ 0.0023500800000000, 0.0033148500000000, -0.0001729700000000 ] - [ -0.0001447300000000, -0.0014234800000000, -0.0004990100000000 ] - [ 0.0011170200000000, 0.0019665300000000, -0.0022590100000000 ] - [ 0.0018496600000000, -0.0014296000000000, -0.0022275600000000 ] - [ 0.0034741600000000, -0.0051867200000000, 0.0015789400000000 ] - [ 0.0020909300000000, 0.0031196400000000, 0.0024528400000000 ] - [ 0.0005422000000000, 0.0004871500000000, -0.0052832500000000 ] - [ 0.0011152200000000, 0.0000126600000000, 0.0002276800000000 ] - [ -0.0028065700000000, 0.0025534900000000, 0.0168669800000000 ] - [ 0.0011469500000000, -0.0000332100000000, 0.0024238800000000 ] - [ -0.0013687800000000, 0.0034203900000000, 0.0181918400000000 ] - [ -0.0009166000000000, -0.0012382200000000, 0.0015589300000000 ] - [ -0.0006681100000000, 0.0001837300000000, -0.0058260800000000 ] - [ -0.0010560200000000, -0.0001443400000000, -0.0028970600000000 ] - [ -0.0035297100000000, -0.0018413900000000, 0.0152501300000000 ] - [ -0.0017326400000000, -0.0007833400000000, 0.0012625100000000 ] - [ -0.0006297500000000, -0.0008209300000000, -0.0037871500000000 ] - [ -0.0016011700000000, -0.0001557400000000, -0.0013463800000000 ] - [ 0.0001698000000000, -0.0008566200000000, 0.0030231200000000 ] - [ -0.0006760200000000, 0.0036264800000000, 0.0060861100000000 ] - [ 0.0009842500000000, 0.0000025400000000, -0.0022429800000000 ] - [ 0.0012576500000000, -0.0006181800000000, -0.0024330700000000 ] - [ 0.0006554800000000, 0.0030878600000000, 0.0045973600000000 ] - [ -0.0008371600000000, -0.0008236800000000, -0.0000736000000000 ] - [ -0.0007770000000000, -0.0020075600000000, -0.0056826500000000 ] - [ -0.0005651800000000, -0.0007258300000000, -0.0032905800000000 ] - [ -0.0002682600000000, 0.0039976200000000, -0.0000222400000000 ] - [ 0.0009291000000000, -0.0047788700000000, -0.0007311600000000 ] - [ -0.0013967200000000, -0.0040727400000000, -0.0052710300000000 ] - [ -0.0030319600000000, 0.0042660800000000, -0.0046799300000000 ] - [ 0.0102469600000000, 0.0003092700000000, -0.0035294800000000 ] - [ -0.0015436600000000, 0.0003013800000000, 0.0003858200000000 ] - [ -0.0034992700000000, 0.0002045400000000, -0.0060698200000000 ] - [ -0.0016685400000000, -0.0000688900000000, -0.0009135700000000 ] - [ -0.0013269200000000, 0.0012577600000000, 0.0015035700000000 ] - [ -0.0001345900000000, 0.0009376700000000, 0.0002607000000000 ] - [ -0.0003091900000000, 0.0009095100000000, -0.0018884800000000 ] - [ -0.0000317200000000, 0.0014283100000000, -0.0007646600000000 ] - [ 0.0057061600000000, 0.0050975300000000, -0.0033297200000000 ] - [ 0.0013805700000000, -0.0008104300000000, -0.0002109800000000 ] - [ -0.0022357900000000, -0.0006975200000000, -0.0030001000000000 ] - [ 0.0008470000000000, 0.0004466300000000, -0.0000268500000000 ] - [ -0.0004967500000000, 0.0019626100000000, -0.0033752800000000 ] - [ -0.0005813700000000, -0.0000776300000000, -0.0031430800000000 ] - [ -0.0009120200000000, -0.0007673700000000, -0.0015795100000000 ] - [ -0.0022208400000000, 0.0035665300000000, -0.0025597100000000 ] - [ 0.0035735800000000, -0.0044943800000000, 0.0014070000000000 ] - [ -0.0000110800000000, -0.0006338000000000, 0.0003176900000000 ] - [ -0.0008582700000000, -0.0002350000000000, -0.0015963900000000 ] - [ -0.0001574400000000, -0.0018089300000000, -0.0006956900000000 ]- atom: 9 displacement: [ 0.0019782548681478, 0.0000000000000000, -0.0098023725534510 ] forces: - [ -0.0020281000000000, -0.0012529800000000, -0.0088391200000000 ] - [ -0.0009715000000000, -0.0011282700000000, -0.0038485100000000 ] - [ 0.0198749800000000, 0.0005206800000000, 0.0053241800000000 ] - [ -0.0011633900000000, -0.0011723300000000, -0.0011924800000000 ] - [ -0.0149163900000000, -0.0037433000000000, -0.0007228000000000 ] - [ -0.0012033900000000, 0.0032319900000000, -0.0004721400000000 ] - [ 0.0002173300000000, 0.0021528300000000, -0.0072058500000000 ] - [ -0.0007646200000000, 0.0003984800000000, -0.0044196800000000 ] - [ 0.0002509000000000, 0.0282205000000000, 0.1191948000000000 ] - [ 0.0017432700000000, -0.0008675900000000, 0.0014995200000000 ] - [ 0.0026541100000000, -0.0008931900000000, -0.0092163600000000 ] - [ 0.0018136900000000, -0.0006058600000000, -0.0033227700000000 ] - [ 0.0027217200000000, 0.0010903900000000, 0.0175126400000000 ] - [ 0.0036981300000000, -0.0080653900000000, 0.0177133900000000 ] - [ -0.0013912300000000, -0.0002771700000000, -0.0036354100000000 ] - [ -0.0014226700000000, 0.0003632400000000, -0.0036529800000000 ] - [ 0.0028266500000000, -0.0109953100000000, -0.0185441800000000 ] - [ 0.0016543800000000, 0.0027549700000000, -0.0018768200000000 ] - [ 0.0015810500000000, 0.0175075000000000, -0.0189291400000000 ] - [ 0.0020301400000000, -0.0024432600000000, -0.0017887400000000 ] - [ 0.0015449200000000, 0.0089430100000000, -0.0118517600000000 ] - [ -0.0014950800000000, -0.0019894200000000, -0.0004242400000000 ] - [ -0.0076102500000000, -0.0229627700000000, -0.0273255000000000 ] - [ -0.0019241000000000, 0.0026729100000000, 0.0017990400000000 ] - [ 0.0005401700000000, 0.0023996500000000, 0.0046358000000000 ] - [ 0.0015520000000000, -0.0047480500000000, 0.0051240900000000 ] - [ 0.0000398500000000, -0.0028287300000000, -0.0002259200000000 ] - [ 0.0004600000000000, 0.0005802000000000, -0.0005349600000000 ] - [ -0.0079895900000000, -0.0021288800000000, 0.0072228800000000 ] - [ 0.0013742300000000, 0.0026847800000000, 0.0047195500000000 ] - [ 0.0020959200000000, 0.0018850100000000, -0.0030649900000000 ] - [ 0.0008248500000000, 0.0005041800000000, 0.0004802500000000 ] - [ -0.0016467000000000, 0.0024528300000000, -0.0031709000000000 ] - [ -0.0015216600000000, -0.0007727800000000, -0.0047643600000000 ] - [ 0.0021777400000000, -0.0026989100000000, 0.0012771800000000 ] - [ 0.0005217700000000, 0.0037440500000000, 0.0029301100000000 ] - [ -0.0215969200000000, 0.0036699200000000, -0.0013963500000000 ] - [ -0.0013101000000000, -0.0032089800000000, 0.0000682200000000 ] - [ 0.0006180600000000, -0.0019981500000000, -0.0051541200000000 ] - [ -0.0009720700000000, -0.0000210700000000, -0.0021823000000000 ] - [ 0.0199547100000000, 0.0066544200000000, 0.0052236400000000 ] - [ 0.0010432700000000, 0.0010480200000000, 0.0019606600000000 ] - [ -0.0018851600000000, 0.0010168900000000, -0.0036909600000000 ] - [ 0.0006930700000000, 0.0008158600000000, 0.0000390700000000 ] - [ -0.0104993300000000, 0.0047424500000000, 0.0041704100000000 ] - [ 0.0008303600000000, -0.0022273900000000, 0.0026311800000000 ] - [ 0.0017443800000000, -0.0024591000000000, -0.0020804600000000 ] - [ 0.0007208400000000, -0.0006618400000000, -0.0010103600000000 ] - [ 0.0037308400000000, -0.0018651200000000, -0.0002693000000000 ] - [ 0.0006465100000000, 0.0032858600000000, -0.0004355800000000 ] - [ -0.0001294600000000, 0.0021751000000000, 0.0011126300000000 ] - [ 0.0001682900000000, 0.0004502300000000, 0.0011724500000000 ] - [ 0.0008653700000000, -0.0018624400000000, -0.0047387000000000 ] - [ 0.0003874800000000, 0.0002050300000000, -0.0006085300000000 ] - [ 0.0003995700000000, -0.0010113400000000, 0.0053975500000000 ] - [ 0.0006793100000000, -0.0014123400000000, 0.0035964300000000 ] - [ 0.0085438100000000, 0.0016167800000000, -0.0165083400000000 ] - [ -0.0007430800000000, 0.0007008100000000, -0.0014909900000000 ] - [ -0.0013567000000000, -0.0006000800000000, 0.0037185100000000 ] - [ -0.0011443300000000, -0.0000724300000000, 0.0012633600000000 ] - [ 0.0002070900000000, -0.0021058700000000, 0.0016174200000000 ] - [ 0.0005135200000000, -0.0003994300000000, 0.0010247000000000 ] - [ -0.0005407400000000, 0.0006372800000000, -0.0015533800000000 ] - [ -0.0005938200000000, -0.0025129500000000, -0.0006704300000000 ] - [ 0.0064164900000000, -0.0057789300000000, -0.0078931800000000 ] - [ 0.0015339300000000, 0.0014180900000000, -0.0007488100000000 ] - [ 0.0005981100000000, 0.0006938200000000, 0.0041341100000000 ] - [ 0.0015005500000000, -0.0006958400000000, 0.0011286500000000 ] - [ -0.0010163700000000, -0.0092768200000000, -0.0184642300000000 ] - [ 0.0002375500000000, -0.0005055800000000, -0.0009308900000000 ] - [ 0.0002734600000000, -0.0004230800000000, 0.0061457500000000 ] - [ 0.0009955000000000, 0.0002215700000000, 0.0027762400000000 ] - [ 0.0035526200000000, 0.0009574600000000, 0.0028708800000000 ] - [ 0.0005909500000000, 0.0010730700000000, 0.0018640200000000 ] - [ -0.0014706800000000, 0.0012616700000000, 0.0049562200000000 ] - [ 0.0006630800000000, 0.0007933600000000, 0.0022108600000000 ] - [ 0.0010678700000000, 0.0015387100000000, 0.0037484700000000 ] - [ -0.0007016700000000, -0.0010515000000000, 0.0004726100000000 ] - [ -0.0043811800000000, -0.0036877700000000, 0.0002448800000000 ] - [ -0.0018570800000000, 0.0010711700000000, 0.0005772100000000 ] - [ 0.0021287300000000, -0.0014766900000000, 0.0026766700000000 ] - [ 0.0014365700000000, 0.0018967500000000, 0.0026439800000000 ] - [ -0.0001950200000000, 0.0056886900000000, -0.0011794800000000 ] - [ 0.0012040100000000, -0.0026686500000000, -0.0020480900000000 ] - [ 0.0018579800000000, -0.0001879000000000, 0.0079686400000000 ] - [ 0.0012938800000000, 0.0002886800000000, 0.0024985400000000 ] - [ 0.0062874100000000, -0.0022593000000000, -0.0161978900000000 ] - [ 0.0012689200000000, 0.0003311400000000, 0.0002889000000000 ] - [ -0.0011103400000000, -0.0038946700000000, -0.0210392800000000 ] - [ -0.0014829300000000, 0.0009404500000000, -0.0042876500000000 ] - [ -0.0017374300000000, -0.0004833900000000, 0.0030929500000000 ] - [ -0.0013471500000000, -0.0001499900000000, 0.0001864200000000 ] - [ 0.0000727100000000, 0.0016915100000000, -0.0159572500000000 ] - [ -0.0015250500000000, 0.0003021200000000, -0.0016833300000000 ] - [ -0.0026309600000000, 0.0003394000000000, 0.0033670700000000 ] - [ -0.0016048400000000, -0.0003306100000000, 0.0009440100000000 ] - [ 0.0018133700000000, 0.0012204100000000, -0.0030656600000000 ] - [ 0.0026710000000000, -0.0032704300000000, -0.0061415500000000 ] - [ 0.0010190100000000, 0.0004031300000000, 0.0022148300000000 ] - [ 0.0007424400000000, 0.0009932800000000, 0.0023847500000000 ] - [ -0.0018997500000000, -0.0047247300000000, -0.0083280800000000 ] - [ -0.0004099400000000, -0.0007919100000000, -0.0036612200000000 ] - [ -0.0004583700000000, 0.0004166200000000, 0.0019492600000000 ] - [ -0.0006706700000000, -0.0008503800000000, -0.0004149100000000 ] - [ -0.0021502500000000, -0.0036776400000000, -0.0026831400000000 ] - [ -0.0033371000000000, 0.0050589000000000, -0.0019787400000000 ] - [ -0.0010015400000000, 0.0043969600000000, 0.0025659600000000 ] - [ 0.0006448900000000, -0.0039872600000000, 0.0019676700000000 ] - [ -0.0137027800000000, 0.0002178300000000, 0.0036241200000000 ] - [ -0.0017045600000000, 0.0001775800000000, -0.0007944800000000 ] - [ 0.0002401800000000, 0.0002729900000000, 0.0056833600000000 ] - [ -0.0016162500000000, 0.0005391800000000, 0.0004924300000000 ] - [ 0.0012996100000000, 0.0013390200000000, -0.0019209600000000 ] - [ 0.0001293200000000, 0.0016587200000000, -0.0006699500000000 ] - [ 0.0003134200000000, 0.0016797900000000, 0.0014799700000000 ] - [ -0.0000028600000000, 0.0011080700000000, 0.0003585700000000 ] - [ -0.0036958500000000, -0.0054902800000000, 0.0032849000000000 ] - [ 0.0006143400000000, 0.0004135800000000, 0.0001877200000000 ] - [ 0.0042574000000000, 0.0003352800000000, 0.0029289500000000 ] - [ 0.0011616100000000, -0.0008008600000000, -0.0000554300000000 ] - [ -0.0007612600000000, -0.0003023400000000, -0.0004055500000000 ] - [ -0.0006660400000000, 0.0016807100000000, -0.0005944400000000 ] - [ -0.0003344500000000, 0.0023733200000000, -0.0021651200000000 ] - [ 0.0009726800000000, -0.0019643100000000, -0.0011658200000000 ] - [ -0.0035698300000000, 0.0019413000000000, -0.0018083800000000 ] - [ 0.0000061300000000, -0.0019445800000000, -0.0007186700000000 ] - [ 0.0008738700000000, -0.0023767100000000, 0.0011882700000000 ] - [ 0.0001787200000000, -0.0008152800000000, 0.0002840700000000 ]- atom: 33 displacement: [ 0.0099846139444728, 0.0000000000000000, 0.0005545127409173 ] forces: - [ -0.0082494200000000, 0.0105241800000000, -0.0027518600000000 ] - [ -0.0062561400000000, -0.0095045700000000, -0.0059255400000000 ] - [ -0.0011494500000000, -0.0010953800000000, -0.0025230100000000 ] - [ -0.0012575800000000, -0.0010476700000000, -0.0019978800000000 ] - [ -0.0008799900000000, 0.0020852300000000, -0.0036408500000000 ] - [ -0.0017282800000000, -0.0016780600000000, -0.0059460300000000 ] - [ -0.0017084600000000, 0.0010091300000000, -0.0017473000000000 ] - [ -0.0060430200000000, 0.0007724000000000, 0.0019000500000000 ] - [ 0.0009738700000000, -0.0012234700000000, -0.0003687800000000 ] - [ 0.0012770700000000, 0.0003898400000000, -0.0003448900000000 ] - [ 0.0017577500000000, -0.0057423800000000, -0.0043519300000000 ] - [ 0.0015465100000000, 0.0031425300000000, -0.0027993700000000 ] - [ -0.0022285500000000, -0.0002115300000000, 0.0040887300000000 ] - [ -0.0018670600000000, -0.0003593900000000, 0.0013371200000000 ] - [ 0.0174143200000000, 0.0017934100000000, -0.0147208400000000 ] - [ -0.0016027300000000, -0.0003969100000000, 0.0009285000000000 ] - [ 0.0009248800000000, -0.0014687100000000, -0.0009079600000000 ] - [ 0.0105133300000000, 0.0250200300000000, 0.0217222800000000 ] - [ 0.0017117500000000, 0.0001406500000000, -0.0009633800000000 ] - [ 0.0016824300000000, 0.0010322000000000, -0.0024110200000000 ] - [ 0.0139815600000000, -0.0189240000000000, 0.0157213600000000 ] - [ -0.0013549700000000, 0.0018815600000000, 0.0011542000000000 ] - [ -0.0009904300000000, -0.0004179400000000, 0.0005618800000000 ] - [ -0.0016673300000000, 0.0006403800000000, 0.0014101100000000 ] - [ 0.0077714800000000, -0.0003482100000000, -0.0017301000000000 ] - [ 0.0015612000000000, -0.0009141400000000, 0.0021728300000000 ] - [ 0.0036284100000000, -0.0015959400000000, 0.0070915800000000 ] - [ 0.0013097200000000, -0.0009537800000000, 0.0029152600000000 ] - [ 0.0014654500000000, 0.0009525300000000, 0.0030648400000000 ] - [ 0.0011471700000000, 0.0011529600000000, 0.0028973800000000 ] - [ 0.0263147100000000, 0.0110171500000000, 0.0062707300000000 ] - [ 0.0021280600000000, 0.0003105400000000, 0.0022387600000000 ] - [ -0.3045407200000000, -0.0456899400000000, -0.0670392400000000 ] - [ -0.0019325800000000, 0.0017262300000000, -0.0014117600000000 ] - [ -0.0015277200000000, 0.0010733600000000, -0.0009696800000000 ] - [ -0.0010611100000000, 0.0010457800000000, -0.0009406200000000 ] - [ -0.0063588200000000, -0.0004226700000000, -0.0055743800000000 ] - [ -0.0014045200000000, -0.0010943000000000, -0.0015073400000000 ] - [ -0.0065588500000000, -0.0011427300000000, -0.0016289700000000 ] - [ -0.0014693900000000, -0.0012390800000000, -0.0003842100000000 ] - [ 0.0032131900000000, 0.0007803300000000, 0.0013435200000000 ] - [ 0.0032382500000000, 0.0006586000000000, 0.0008126800000000 ] - [ 0.0019618200000000, 0.0021788000000000, 0.0028640100000000 ] - [ 0.0020288100000000, 0.0005011100000000, 0.0015733700000000 ] - [ 0.0011541400000000, -0.0010370700000000, 0.0013091800000000 ] - [ 0.0014113200000000, -0.0008438500000000, 0.0016196900000000 ] - [ 0.0028612000000000, 0.0001666700000000, 0.0009847000000000 ] - [ 0.0135063800000000, -0.0081796500000000, 0.0056799000000000 ] - [ 0.0002852900000000, 0.0013834700000000, 0.0034301000000000 ] - [ -0.0000648800000000, 0.0009580400000000, 0.0003305900000000 ] - [ 0.0026645700000000, 0.0000805900000000, -0.0019077200000000 ] - [ -0.0000226200000000, 0.0014759300000000, -0.0000931900000000 ] - [ 0.0005891500000000, -0.0008336000000000, 0.0020881900000000 ] - [ 0.0008909000000000, -0.0002957900000000, 0.0017267400000000 ] - [ 0.0011855700000000, -0.0024279800000000, 0.0005413000000000 ] - [ 0.0312794300000000, -0.0301426700000000, 0.0325104600000000 ] - [ -0.0000215300000000, 0.0002216200000000, 0.0008792200000000 ] - [ -0.0006885600000000, 0.0000658600000000, 0.0002699400000000 ] - [ 0.0032452800000000, -0.0000762600000000, -0.0014300800000000 ] - [ 0.0005508000000000, 0.0023739600000000, -0.0007993600000000 ] - [ 0.0779393000000000, 0.0863802300000000, 0.0070315500000000 ] - [ -0.0000209200000000, -0.0008046500000000, 0.0002488700000000 ] - [ 0.0000482600000000, -0.0012592200000000, 0.0001996500000000 ] - [ -0.0000243100000000, -0.0013152500000000, 0.0000731800000000 ] - [ 0.0041687800000000, 0.0011236100000000, -0.0023788100000000 ] - [ 0.0020386700000000, -0.0003914000000000, 0.0002271200000000 ] - [ 0.0027099000000000, 0.0015319700000000, 0.0032630200000000 ] - [ 0.0023572300000000, -0.0002890900000000, 0.0002268000000000 ] - [ 0.0019162400000000, 0.0000169000000000, 0.0014743900000000 ] - [ 0.0037076300000000, -0.0007112900000000, 0.0005870800000000 ] - [ 0.0016576000000000, 0.0003564100000000, 0.0017184500000000 ] - [ 0.0028838900000000, -0.0034479900000000, 0.0047859400000000 ] - [ 0.0013318900000000, -0.0018616700000000, 0.0061784100000000 ] - [ 0.0006020700000000, 0.0008091100000000, 0.0028339800000000 ] - [ 0.0011891300000000, 0.0007121500000000, 0.0016176100000000 ] - [ 0.0009157500000000, 0.0014173500000000, 0.0013398800000000 ] - [ 0.0001336900000000, -0.0014121100000000, 0.0011784700000000 ] - [ 0.0255998200000000, -0.0016920300000000, 0.0013325500000000 ] - [ -0.0008063000000000, -0.0001974300000000, -0.0000558100000000 ] - [ 0.0003222200000000, -0.0006173400000000, -0.0008095300000000 ] - [ 0.1421761300000000, -0.0212094400000000, 0.0091734600000000 ] - [ 0.0023828100000000, -0.0000185600000000, 0.0005710200000000 ] - [ 0.0023154000000000, 0.0001695700000000, 0.0000886800000000 ] - [ 0.0017898500000000, 0.0001865600000000, 0.0001456000000000 ] - [ 0.0047140900000000, 0.0061666300000000, 0.0023360500000000 ] - [ 0.0032434500000000, -0.0033550300000000, 0.0021604800000000 ] - [ 0.0015141800000000, 0.0004697400000000, 0.0013996100000000 ] - [ 0.0014738000000000, -0.0001276500000000, 0.0012830400000000 ] - [ -0.0015530800000000, 0.0001934400000000, -0.0018525600000000 ] - [ -0.0013129300000000, -0.0003928300000000, -0.0016543600000000 ] - [ -0.0119432500000000, 0.0047887000000000, 0.0005920500000000 ] - [ -0.0019028700000000, -0.0008515100000000, -0.0012514200000000 ] - [ -0.0017852100000000, -0.0000623300000000, -0.0004621700000000 ] - [ -0.0019491200000000, -0.0004300600000000, -0.0004281400000000 ] - [ -0.0027578200000000, 0.0003543400000000, -0.0002418700000000 ] - [ -0.0098600400000000, -0.0029305200000000, -0.0004470800000000 ] - [ -0.0000210600000000, 0.0002039200000000, -0.0006260200000000 ] - [ 0.0008548900000000, 0.0001830400000000, -0.0001599500000000 ] - [ -0.0057708500000000, 0.0009107800000000, -0.0029521900000000 ] - [ 0.0004983200000000, -0.0000011100000000, -0.0001550100000000 ] - [ -0.0013136500000000, -0.0012136700000000, -0.0020144400000000 ] - [ -0.0010652400000000, -0.0010040200000000, -0.0020439600000000 ] - [ -0.0025499900000000, -0.0022305100000000, -0.0050246000000000 ] - [ -0.0009018600000000, -0.0005723400000000, -0.0021848200000000 ] - [ -0.0068962000000000, -0.0004481500000000, -0.0079115400000000 ] - [ -0.0015044000000000, 0.0002504200000000, -0.0016137000000000 ] - [ -0.0035462600000000, 0.0001973900000000, 0.0010486500000000 ] - [ -0.0013771900000000, 0.0001873400000000, -0.0015129500000000 ] - [ -0.0027402400000000, 0.0024273500000000, -0.0022521800000000 ] - [ -0.0040457100000000, -0.0019549100000000, -0.0019833200000000 ] - [ -0.0027161900000000, 0.0002919700000000, -0.0003741000000000 ] - [ -0.0024480500000000, -0.0000933500000000, -0.0001810000000000 ] - [ -0.0000891500000000, 0.0013427800000000, -0.0003172800000000 ] - [ -0.0002002600000000, 0.0011832000000000, -0.0004003400000000 ] - [ -0.0019680100000000, -0.0010546400000000, -0.0003251500000000 ] - [ -0.0023360000000000, 0.0034853000000000, -0.0009917600000000 ] - [ -0.0046648700000000, -0.0009565900000000, 0.0006689100000000 ] - [ 0.0001519500000000, -0.0003693500000000, 0.0004285500000000 ] - [ 0.0005006200000000, -0.0000169100000000, -0.0011853200000000 ] - [ 0.0007580500000000, -0.0001477100000000, -0.0003130000000000 ] - [ -0.0114628700000000, 0.0025957700000000, 0.0003940800000000 ] - [ -0.0010545000000000, 0.0004592000000000, -0.0014221100000000 ] - [ -0.0008468100000000, 0.0009584500000000, -0.0026568600000000 ] - [ -0.0006861200000000, 0.0008001500000000, -0.0021856100000000 ] - [ -0.0008149900000000, -0.0011588200000000, -0.0000933600000000 ] - [ -0.0008698600000000, -0.0004213200000000, 0.0005339400000000 ] - [ -0.0000286700000000, -0.0016746500000000, -0.0006043900000000 ] - [ -0.0006018500000000, -0.0007056800000000, -0.0006963200000000 ]- atom: 33 displacement: [ -0.0099846139444728, 0.0000000000000000, -0.0005545127409173 ] forces: - [ 0.0062833300000000, -0.0127001100000000, -0.0022034000000000 ] - [ 0.0042069000000000, 0.0074933000000000, 0.0009471700000000 ] - [ -0.0008383800000000, -0.0010250400000000, -0.0024375200000000 ] - [ -0.0007297700000000, -0.0010849800000000, -0.0029603800000000 ] - [ -0.0011033100000000, 0.0000461600000000, -0.0013195000000000 ] - [ -0.0003098900000000, 0.0038011000000000, 0.0010356000000000 ] - [ -0.0002779600000000, 0.0011239700000000, -0.0032129600000000 ] - [ 0.0040805500000000, 0.0013665600000000, -0.0068919500000000 ] - [ 0.0024174200000000, 0.0005167600000000, -0.0018693000000000 ] - [ 0.0021291700000000, -0.0010965400000000, -0.0018877200000000 ] - [ 0.0016418100000000, 0.0050516100000000, 0.0021192100000000 ] - [ 0.0018642900000000, -0.0038770000000000, 0.0005695100000000 ] - [ -0.0011554400000000, -0.0004974500000000, -0.0018512300000000 ] - [ -0.0015291200000000, -0.0003479900000000, 0.0009027800000000 ] - [ -0.0208818600000000, -0.0024729200000000, 0.0169849000000000 ] - [ -0.0017893000000000, -0.0003147200000000, 0.0013123500000000 ] - [ 0.0024719500000000, 0.0021807400000000, -0.0013303000000000 ] - [ -0.0071592600000000, -0.0244563200000000, -0.0241308800000000 ] - [ 0.0016878800000000, 0.0005729800000000, -0.0012714600000000 ] - [ 0.0017150700000000, -0.0003279700000000, 0.0001879200000000 ] - [ -0.0174354800000000, 0.0196414100000000, -0.0134862600000000 ] - [ -0.0020293900000000, -0.0011759900000000, 0.0010831900000000 ] - [ -0.0024020000000000, 0.0011356200000000, 0.0016823600000000 ] - [ -0.0017214300000000, 0.0000644100000000, 0.0008292800000000 ] - [ -0.0057631400000000, -0.0017563600000000, 0.0066033500000000 ] - [ 0.0004179300000000, -0.0012192300000000, 0.0027894100000000 ] - [ -0.0016695000000000, -0.0005287000000000, -0.0020967400000000 ] - [ 0.0006711900000000, -0.0011760500000000, 0.0020386500000000 ] - [ 0.0005195100000000, 0.0011799300000000, 0.0018918300000000 ] - [ 0.0008338800000000, 0.0009717400000000, 0.0020592800000000 ] - [ -0.0242799000000000, -0.0087122700000000, -0.0012719600000000 ] - [ -0.0001495800000000, 0.0017976000000000, 0.0027223000000000 ] - [ 0.3127637900000000, 0.0416422600000000, 0.0657840700000000 ] - [ 0.0001407300000000, 0.0002032600000000, -0.0005299100000000 ] - [ -0.0002653100000000, 0.0008556100000000, -0.0009733400000000 ] - [ -0.0007318900000000, 0.0008830600000000, -0.0010040900000000 ] - [ 0.0045529200000000, -0.0015126400000000, 0.0036723600000000 ] - [ -0.0003836600000000, -0.0008306000000000, -0.0004247800000000 ] - [ 0.0047933800000000, -0.0008086500000000, -0.0003364600000000 ] - [ -0.0003204700000000, -0.0006913200000000, -0.0015614800000000 ] - [ -0.0014142400000000, 0.0011660500000000, 0.0005891600000000 ] - [ -0.0014479900000000, 0.0012678800000000, 0.0011262800000000 ] - [ -0.0001698000000000, -0.0002411300000000, -0.0009192700000000 ] - [ -0.0002457600000000, 0.0014180500000000, 0.0003716200000000 ] - [ 0.0006417100000000, -0.0008890000000000, 0.0006330200000000 ] - [ 0.0003784000000000, -0.0010916200000000, 0.0003207800000000 ] - [ -0.0010724100000000, -0.0021014100000000, 0.0009564500000000 ] - [ -0.0116378200000000, 0.0061232300000000, -0.0036678800000000 ] - [ -0.0002705700000000, 0.0012336700000000, -0.0030201400000000 ] - [ 0.0000629200000000, 0.0016421300000000, 0.0000746100000000 ] - [ -0.0026669700000000, 0.0025399600000000, 0.0023360000000000 ] - [ 0.0000254700000000, 0.0011150300000000, 0.0005052000000000 ] - [ 0.0006531700000000, -0.0007386500000000, 0.0016141000000000 ] - [ 0.0003629100000000, -0.0012785200000000, 0.0019892200000000 ] - [ 0.0000661300000000, 0.0008384000000000, 0.0032027600000000 ] - [ -0.0305824500000000, 0.0287411100000000, -0.0290213100000000 ] - [ -0.0019844300000000, 0.0001054400000000, -0.0007922800000000 ] - [ -0.0013230200000000, 0.0002739900000000, -0.0001981900000000 ] - [ -0.0052655800000000, 0.0004164000000000, 0.0015352700000000 ] - [ -0.0025720400000000, -0.0020332700000000, 0.0008794700000000 ] - [ -0.0770304200000000, -0.0856947500000000, -0.0064743200000000 ] - [ 0.0000214300000000, -0.0017966500000000, 0.0001594100000000 ] - [ -0.0000612800000000, -0.0013454500000000, 0.0002083300000000 ] - [ 0.0000097800000000, -0.0013059900000000, 0.0003336500000000 ] - [ -0.0008756900000000, -0.0015919100000000, 0.0028000300000000 ] - [ 0.0012345500000000, -0.0000826200000000, 0.0001943600000000 ] - [ 0.0005782300000000, -0.0020156600000000, -0.0028475700000000 ] - [ 0.0009038200000000, -0.0001817900000000, 0.0001964200000000 ] - [ 0.0004728000000000, -0.0003143100000000, 0.0012296900000000 ] - [ -0.0013383100000000, 0.0004074500000000, 0.0021087800000000 ] - [ 0.0007298100000000, -0.0006520400000000, 0.0009883300000000 ] - [ -0.0005044300000000, 0.0031639700000000, -0.0021001500000000 ] - [ -0.0000902700000000, 0.0034439700000000, -0.0024919000000000 ] - [ 0.0006498300000000, 0.0007537700000000, 0.0008665800000000 ] - [ 0.0000521400000000, 0.0008627000000000, 0.0020990600000000 ] - [ 0.0003316200000000, 0.0001674900000000, 0.0023881600000000 ] - [ -0.0021398800000000, 0.0010722600000000, -0.0011143700000000 ] - [ -0.0277296800000000, 0.0018495400000000, -0.0006570500000000 ] - [ -0.0012019500000000, -0.0001279600000000, 0.0001572000000000 ] - [ -0.0023353000000000, 0.0002799200000000, 0.0008912700000000 ] - [ -0.1488660700000000, 0.0235621000000000, -0.0099563300000000 ] - [ 0.0008770400000000, 0.0005032000000000, -0.0001482100000000 ] - [ 0.0009641000000000, 0.0003076700000000, 0.0003366400000000 ] - [ 0.0015183200000000, 0.0002856700000000, 0.0002833800000000 ] - [ -0.0023348100000000, -0.0058789700000000, 0.0003729100000000 ] - [ -0.0008803900000000, 0.0036553700000000, 0.0005457400000000 ] - [ 0.0008785000000000, -0.0001684200000000, 0.0013112000000000 ] - [ 0.0009157400000000, 0.0004289300000000, 0.0014196600000000 ] - [ -0.0008374900000000, -0.0004900900000000, -0.0008547400000000 ] - [ -0.0010828000000000, 0.0000914200000000, -0.0010534000000000 ] - [ 0.0095237400000000, -0.0050697100000000, -0.0032815800000000 ] - [ -0.0004877300000000, 0.0005560700000000, -0.0014614400000000 ] - [ -0.0014853200000000, -0.0004156900000000, 0.0000388500000000 ] - [ -0.0013460200000000, -0.0000386300000000, 0.0000034800000000 ] - [ -0.0005425100000000, -0.0008202400000000, -0.0001813600000000 ] - [ 0.0065834400000000, 0.0024640700000000, 0.0000199600000000 ] - [ 0.0020237600000000, 0.0001378200000000, 0.0005477000000000 ] - [ 0.0011480000000000, 0.0001656000000000, 0.0000884700000000 ] - [ 0.0077496100000000, -0.0005646900000000, 0.0028444200000000 ] - [ 0.0015100200000000, 0.0003396700000000, 0.0000629100000000 ] - [ 0.0000726300000000, -0.0003581600000000, -0.0016874900000000 ] - [ -0.0001860700000000, -0.0006041400000000, -0.0016944800000000 ] - [ 0.0013177900000000, 0.0006414700000000, 0.0013167300000000 ] - [ -0.0003390700000000, -0.0009907600000000, -0.0015193700000000 ] - [ 0.0044967000000000, 0.0007456400000000, 0.0052084700000000 ] - [ -0.0008891300000000, 0.0000526500000000, -0.0010930200000000 ] - [ 0.0011562000000000, 0.0001012000000000, -0.0037675400000000 ] - [ -0.0010145000000000, 0.0001119900000000, -0.0011913000000000 ] - [ -0.0005735900000000, -0.0019516300000000, 0.0018159500000000 ] - [ 0.0008048200000000, 0.0024405000000000, 0.0015723400000000 ] - [ -0.0005744600000000, 0.0001773700000000, -0.0000459800000000 ] - [ -0.0008445100000000, 0.0005696400000000, -0.0002431600000000 ] - [ 0.0000945300000000, 0.0012566000000000, -0.0000879100000000 ] - [ 0.0002194200000000, 0.0014344400000000, -0.0000071200000000 ] - [ 0.0019982500000000, 0.0036795600000000, -0.0000771400000000 ] - [ 0.0023581300000000, -0.0008449800000000, 0.0005812100000000 ] - [ 0.0066687700000000, 0.0006085400000000, -0.0007569400000000 ] - [ 0.0018532800000000, 0.0000106600000000, -0.0004817700000000 ] - [ 0.0015074200000000, -0.0003228200000000, 0.0011001300000000 ] - [ 0.0012509000000000, -0.0001835400000000, 0.0002184400000000 ] - [ 0.0100607600000000, -0.0010043400000000, -0.0040877100000000 ] - [ -0.0001804800000000, 0.0011132800000000, -0.0022815600000000 ] - [ -0.0003878700000000, 0.0006121700000000, -0.0010441700000000 ] - [ -0.0005684300000000, 0.0007988800000000, -0.0015477600000000 ] - [ 0.0008407000000000, -0.0014675900000000, -0.0003083100000000 ] - [ 0.0008762200000000, -0.0021503000000000, -0.0009278600000000 ] - [ 0.0000434600000000, -0.0009328600000000, 0.0001964500000000 ] - [ 0.0006289100000000, -0.0019096000000000, 0.0002879000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020330100000000, 0.0295836900000000, -0.0026685500000000 ] - [ -0.0074976600000000, 0.0419347900000000, -0.0011609200000000 ] - [ -0.0006594300000000, -0.0010139600000000, -0.0023211700000000 ] - [ -0.0013409300000000, -0.0005065600000000, -0.0027615500000000 ] - [ -0.0004313800000000, 0.0055679100000000, -0.0051095500000000 ] - [ -0.0087015300000000, 0.0001513700000000, 0.0124745800000000 ] - [ -0.0008208900000000, 0.0054566600000000, 0.0001616300000000 ] - [ 0.0028823700000000, 0.0019342100000000, -0.0215981100000000 ] - [ 0.0010478800000000, 0.0002047500000000, -0.0027667700000000 ] - [ 0.0028042000000000, 0.0010698600000000, 0.0008842500000000 ] - [ -0.0018111100000000, 0.0029722100000000, 0.0019142000000000 ] - [ 0.0069150300000000, 0.0017238700000000, -0.0028833900000000 ] - [ -0.0007009700000000, -0.0050524200000000, 0.0013816900000000 ] - [ -0.0017189700000000, 0.0022440300000000, 0.0009490600000000 ] - [ -0.0025845600000000, -0.0082399900000000, 0.0067297600000000 ] - [ -0.0016604100000000, 0.0036910900000000, 0.0012069800000000 ] - [ 0.0003112300000000, 0.0053193300000000, -0.0036839200000000 ] - [ 0.0238857800000000, -0.0040987500000000, 0.0080425000000000 ] - [ 0.0014752700000000, 0.0021668400000000, -0.0001871600000000 ] - [ 0.0030550500000000, -0.0015594400000000, -0.0018840600000000 ] - [ -0.0107731700000000, 0.0009880400000000, -0.0065416700000000 ] - [ 0.0001142700000000, 0.0053700300000000, 0.0027693700000000 ] - [ -0.0017127300000000, -0.0012256700000000, 0.0026409000000000 ] - [ -0.0014722100000000, 0.0020674200000000, 0.0008537400000000 ] - [ 0.0017328500000000, -0.0054094500000000, 0.0009963000000000 ] - [ 0.0008775300000000, 0.0018080900000000, 0.0020236000000000 ] - [ 0.0001850400000000, -0.0075397300000000, 0.0034467200000000 ] - [ 0.0006415400000000, 0.0018980800000000, 0.0026618500000000 ] - [ 0.0006482900000000, -0.0002742100000000, 0.0024135900000000 ] - [ 0.0010205000000000, 0.0024609000000000, 0.0024872600000000 ] - [ 0.0259481900000000, 0.0004850800000000, 0.0061000400000000 ] - [ -0.0001421100000000, 0.0055247600000000, 0.0024062900000000 ] - [ -0.0498691700000000, -0.4265514700000000, 0.0175955100000000 ] - [ -0.0001223300000000, 0.0079874800000000, -0.0010265900000000 ] - [ -0.0007668500000000, -0.0024501400000000, -0.0011523200000000 ] - [ -0.0008113100000000, 0.0032624600000000, -0.0008821300000000 ] - [ -0.0001282800000000, -0.0042486300000000, -0.0117292100000000 ] - [ -0.0007466100000000, 0.0036753900000000, 0.0013920000000000 ] - [ -0.0020155300000000, -0.0042533300000000, 0.0093862400000000 ] - [ -0.0006169000000000, 0.0036735500000000, -0.0034448600000000 ] - [ 0.0013318100000000, 0.0021016200000000, -0.0015593000000000 ] - [ 0.0010394500000000, 0.0021098200000000, 0.0016988800000000 ] - [ 0.0011577600000000, 0.0030608900000000, 0.0044114100000000 ] - [ -0.0002766600000000, 0.0030634600000000, 0.0001740300000000 ] - [ 0.0008097800000000, 0.0003345000000000, 0.0009968600000000 ] - [ 0.0010172000000000, -0.0026752800000000, 0.0008227900000000 ] - [ 0.0020228800000000, 0.0045145600000000, 0.0009927400000000 ] - [ -0.0062872600000000, -0.0079562800000000, 0.0013681100000000 ] - [ 0.0001912200000000, 0.0079070200000000, 0.0017573600000000 ] - [ 0.0005494900000000, -0.0019862800000000, 0.0000179100000000 ] - [ -0.0007064200000000, 0.0093340100000000, -0.0009487800000000 ] - [ 0.0007054400000000, -0.0020571300000000, 0.0004148200000000 ] - [ 0.0004212400000000, -0.0019888000000000, 0.0025756300000000 ] - [ 0.0013064300000000, 0.0016163300000000, -0.0002345300000000 ] - [ 0.0008479800000000, -0.0060137500000000, 0.0005812400000000 ] - [ -0.0272026300000000, 0.1058823700000000, -0.0835023900000000 ] - [ -0.0010239100000000, -0.0000699000000000, 0.0021779000000000 ] - [ -0.0013690200000000, -0.0012360500000000, -0.0015857600000000 ] - [ 0.0021919900000000, -0.0041767200000000, -0.0067725200000000 ] - [ -0.0031162100000000, -0.0043195300000000, 0.0041033400000000 ] - [ 0.0876154100000000, 0.1590359500000000, 0.0072938800000000 ] - [ -0.0000930200000000, -0.0084242200000000, 0.0003277600000000 ] - [ 0.0004473100000000, 0.0004425300000000, 0.0002600000000000 ] - [ -0.0001976900000000, -0.0027888900000000, 0.0002694900000000 ] - [ 0.0024406000000000, 0.0014030000000000, 0.0036106000000000 ] - [ 0.0008762700000000, -0.0019654900000000, -0.0006373200000000 ] - [ 0.0027250500000000, 0.0013745500000000, -0.0020003900000000 ] - [ 0.0002134300000000, -0.0021786300000000, 0.0006085400000000 ] - [ 0.0017559200000000, -0.0015263500000000, 0.0025320700000000 ] - [ -0.0025495800000000, 0.0003804700000000, -0.0047914600000000 ] - [ 0.0021198900000000, -0.0028429100000000, 0.0003959400000000 ] - [ -0.0043341000000000, 0.0021771600000000, 0.0030843700000000 ] - [ 0.0000025900000000, -0.0037046400000000, 0.0100596500000000 ] - [ 0.0018566600000000, -0.0033623100000000, -0.0024973000000000 ] - [ 0.0004837800000000, 0.0009243300000000, -0.0004174900000000 ] - [ 0.0005345300000000, -0.0015494200000000, 0.0037335600000000 ] - [ -0.0006293500000000, -0.0043275600000000, 0.0009973500000000 ] - [ -0.0091280900000000, 0.0721534400000000, 0.0581025000000000 ] - [ -0.0008332700000000, -0.0011931800000000, -0.0006522200000000 ] - [ -0.0022330000000000, 0.0019379100000000, 0.0021020800000000 ] - [ -0.0169946100000000, 0.0316751900000000, -0.0015601200000000 ] - [ 0.0021172300000000, -0.0025327100000000, 0.0003062100000000 ] - [ 0.0008241700000000, 0.0018370200000000, 0.0000415700000000 ] - [ 0.0018446200000000, -0.0008585900000000, 0.0001787200000000 ] - [ 0.0060878100000000, -0.0046972300000000, 0.0031626400000000 ] - [ -0.0053929500000000, -0.0056287300000000, -0.0003986000000000 ] - [ 0.0013374400000000, 0.0000337100000000, 0.0014588200000000 ] - [ 0.0007921900000000, -0.0000533600000000, 0.0009248600000000 ] - [ -0.0010242700000000, 0.0010964900000000, -0.0015059900000000 ] - [ -0.0015659000000000, -0.0014323400000000, -0.0015256600000000 ] - [ -0.0054609800000000, 0.0013878800000000, -0.0035243300000000 ] - [ -0.0018555200000000, -0.0025232900000000, -0.0009502900000000 ] - [ -0.0012613800000000, -0.0009868400000000, -0.0001595900000000 ] - [ -0.0023130400000000, 0.0005583600000000, -0.0005021100000000 ] - [ -0.0012902600000000, -0.0026264100000000, -0.0003425900000000 ] - [ -0.0013617700000000, 0.0038355300000000, -0.0000173700000000 ] - [ 0.0008568400000000, 0.0013352400000000, 0.0003366200000000 ] - [ 0.0009539300000000, -0.0007029500000000, -0.0000136500000000 ] - [ 0.0018927900000000, 0.0049281500000000, -0.0005349100000000 ] - [ 0.0010018800000000, -0.0022663100000000, -0.0006299400000000 ] - [ -0.0007453300000000, 0.0000650400000000, -0.0005785200000000 ] - [ -0.0005834500000000, -0.0018752300000000, -0.0022665200000000 ] - [ -0.0025753000000000, -0.0016477900000000, -0.0077112200000000 ] - [ -0.0001968800000000, -0.0023541000000000, -0.0013046100000000 ] - [ -0.0021032500000000, 0.0052622800000000, 0.0000111200000000 ] - [ -0.0006934000000000, -0.0028667200000000, -0.0013501100000000 ] - [ -0.0013598500000000, 0.0022558500000000, -0.0026660400000000 ] - [ -0.0010227900000000, -0.0013982300000000, -0.0015542300000000 ] - [ -0.0015288900000000, -0.0003938500000000, 0.0009437300000000 ] - [ -0.0023061200000000, -0.0007306500000000, -0.0013392200000000 ] - [ -0.0019932400000000, -0.0004979000000000, -0.0017955300000000 ] - [ -0.0018341400000000, -0.0000726000000000, 0.0003664500000000 ] - [ -0.0002817100000000, 0.0008878000000000, -0.0002915200000000 ] - [ 0.0004488600000000, 0.0015568300000000, -0.0000319400000000 ] - [ -0.0033182600000000, -0.0034936200000000, -0.0007907200000000 ] - [ 0.0070304900000000, 0.0001991500000000, 0.0002561800000000 ] - [ -0.0003691200000000, -0.0001960800000000, 0.0030941700000000 ] - [ 0.0009317800000000, -0.0014467200000000, -0.0003752300000000 ] - [ 0.0010106700000000, 0.0007625600000000, -0.0017225400000000 ] - [ 0.0010913800000000, -0.0013112800000000, 0.0003905900000000 ] - [ -0.0010885300000000, 0.0087672700000000, -0.0009963900000000 ] - [ -0.0006102700000000, -0.0020564500000000, -0.0013891900000000 ] - [ -0.0005240600000000, 0.0022521000000000, -0.0021882800000000 ] - [ -0.0006081200000000, -0.0002454300000000, -0.0019053600000000 ] - [ -0.0004590300000000, -0.0028978800000000, 0.0003935300000000 ] - [ 0.0021326900000000, -0.0003305200000000, -0.0002184000000000 ] - [ -0.0000320200000000, -0.0031165000000000, -0.0009641000000000 ] - [ 0.0033088500000000, -0.0016648000000000, 0.0022521300000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001746000000000, -0.0315856900000000, -0.0022825600000000 ] - [ 0.0056145000000000, -0.0446110700000000, -0.0037749800000000 ] - [ -0.0013274500000000, -0.0011194200000000, -0.0026131800000000 ] - [ -0.0006361000000000, -0.0016215300000000, -0.0022048400000000 ] - [ -0.0015369000000000, -0.0034330100000000, 0.0001433800000000 ] - [ 0.0066972800000000, 0.0019861200000000, -0.0174281800000000 ] - [ -0.0011647600000000, -0.0033073500000000, -0.0050924200000000 ] - [ -0.0048658500000000, 0.0001901900000000, 0.0166691700000000 ] - [ 0.0023376000000000, -0.0009160100000000, 0.0005235200000000 ] - [ 0.0005947900000000, -0.0017645700000000, -0.0031258700000000 ] - [ 0.0051638300000000, -0.0036913200000000, -0.0041514000000000 ] - [ -0.0035416900000000, -0.0024244100000000, 0.0006593300000000 ] - [ -0.0026848400000000, 0.0043374700000000, 0.0008715200000000 ] - [ -0.0016704400000000, -0.0029527800000000, 0.0012837800000000 ] - [ -0.0007683100000000, 0.0075362800000000, -0.0045225300000000 ] - [ -0.0017313400000000, -0.0043929500000000, 0.0010383700000000 ] - [ 0.0030744500000000, -0.0046050100000000, 0.0014302700000000 ] - [ -0.0205312800000000, 0.0049004900000000, -0.0103507000000000 ] - [ 0.0019147100000000, -0.0014590400000000, -0.0020441500000000 ] - [ 0.0003397400000000, 0.0022827400000000, -0.0003447300000000 ] - [ 0.0073380000000000, -0.0003467200000000, 0.0087665300000000 ] - [ -0.0035095600000000, -0.0046744100000000, -0.0005381000000000 ] - [ -0.0016792000000000, 0.0019196200000000, -0.0003999200000000 ] - [ -0.0019063800000000, -0.0013571900000000, 0.0013956800000000 ] - [ 0.0002476500000000, 0.0032797100000000, 0.0039633100000000 ] - [ 0.0011049500000000, -0.0039582800000000, 0.0029318200000000 ] - [ 0.0018069100000000, 0.0054129600000000, 0.0014974600000000 ] - [ 0.0013408200000000, -0.0040383100000000, 0.0022940200000000 ] - [ 0.0013308800000000, 0.0024020800000000, 0.0025462400000000 ] - [ 0.0009474400000000, -0.0003218800000000, 0.0024732800000000 ] - [ -0.0239731500000000, 0.0016550900000000, -0.0011576300000000 ] - [ 0.0021403900000000, -0.0034026000000000, 0.0025312200000000 ] - [ 0.0398335100000000, 0.4272861600000000, -0.0213290500000000 ] - [ -0.0016721200000000, -0.0060532300000000, -0.0009176500000000 ] - [ -0.0010211700000000, 0.0043835100000000, -0.0007866900000000 ] - [ -0.0009761900000000, -0.0013119300000000, -0.0010575100000000 ] - [ -0.0016612100000000, 0.0022691100000000, 0.0097639400000000 ] - [ -0.0010404000000000, -0.0056261600000000, -0.0033443700000000 ] - [ 0.0002157200000000, 0.0022678200000000, -0.0112869900000000 ] - [ -0.0011695600000000, -0.0056166100000000, 0.0015226000000000 ] - [ 0.0004572600000000, -0.0001692100000000, 0.0035075600000000 ] - [ 0.0007459800000000, -0.0001593000000000, 0.0002319200000000 ] - [ 0.0006298700000000, -0.0011269600000000, -0.0024724500000000 ] - [ 0.0020517200000000, -0.0011132700000000, 0.0017708300000000 ] - [ 0.0009761100000000, -0.0022814200000000, 0.0009416000000000 ] - [ 0.0007642900000000, 0.0007239800000000, 0.0011184700000000 ] - [ -0.0002467100000000, -0.0064678200000000, 0.0009449000000000 ] - [ 0.0080884400000000, 0.0060569200000000, 0.0005719600000000 ] - [ -0.0001784100000000, -0.0053331300000000, -0.0013577100000000 ] - [ -0.0005942100000000, 0.0046440200000000, 0.0004028900000000 ] - [ 0.0006831700000000, -0.0066985400000000, 0.0013659100000000 ] - [ -0.0007103100000000, 0.0046542000000000, -0.0000192000000000 ] - [ 0.0008298600000000, 0.0003629400000000, 0.0011736600000000 ] - [ -0.0000585300000000, -0.0031719600000000, 0.0039411500000000 ] - [ 0.0003933600000000, 0.0044535300000000, 0.0031249700000000 ] - [ 0.0298331800000000, -0.1108588700000000, 0.0919222100000000 ] - [ -0.0009711600000000, 0.0004554800000000, -0.0021436600000000 ] - [ -0.0006321400000000, 0.0015546500000000, 0.0016867800000000 ] - [ -0.0041734300000000, 0.0044851900000000, 0.0068046500000000 ] - [ 0.0011162700000000, 0.0046886600000000, -0.0040749500000000 ] - [ -0.0815833200000000, -0.1541007500000000, -0.0063503200000000 ] - [ 0.0000520500000000, 0.0058062100000000, 0.0000664000000000 ] - [ -0.0004818100000000, -0.0030876000000000, 0.0001416100000000 ] - [ 0.0001987700000000, 0.0001982300000000, 0.0001470100000000 ] - [ 0.0007859800000000, -0.0018747000000000, -0.0031914200000000 ] - [ 0.0024297800000000, 0.0014907400000000, 0.0010676600000000 ] - [ 0.0005642900000000, -0.0018424200000000, 0.0024266600000000 ] - [ 0.0030425800000000, 0.0016994900000000, -0.0001954200000000 ] - [ 0.0006367100000000, 0.0012310900000000, 0.0001908600000000 ] - [ 0.0049388000000000, -0.0006810600000000, 0.0074956400000000 ] - [ 0.0002827100000000, 0.0025434500000000, 0.0023148000000000 ] - [ 0.0067278600000000, -0.0024906300000000, -0.0003716000000000 ] - [ 0.0012377100000000, 0.0053178000000000, -0.0062658000000000 ] - [ -0.0006192300000000, 0.0049070200000000, 0.0062153800000000 ] - [ 0.0007688400000000, 0.0006531200000000, 0.0041222200000000 ] - [ 0.0007269500000000, 0.0031401900000000, 0.0000034000000000 ] - [ -0.0013713900000000, 0.0039905800000000, -0.0009133700000000 ] - [ 0.0073777200000000, -0.0747441500000000, -0.0614620100000000 ] - [ -0.0011654300000000, 0.0008244000000000, 0.0007062300000000 ] - [ 0.0002345100000000, -0.0022713700000000, -0.0020144300000000 ] - [ 0.0206313200000000, -0.0314944700000000, 0.0020148100000000 ] - [ 0.0011863300000000, 0.0030102400000000, 0.0001178600000000 ] - [ 0.0024697200000000, -0.0013601000000000, 0.0003827700000000 ] - [ 0.0014047200000000, 0.0013342600000000, 0.0002458900000000 ] - [ -0.0036670300000000, 0.0049639600000000, -0.0004309800000000 ] - [ 0.0078390100000000, 0.0059557700000000, 0.0031422600000000 ] - [ 0.0010643500000000, 0.0002643500000000, 0.0012591600000000 ] - [ 0.0015984300000000, 0.0003512100000000, 0.0017966600000000 ] - [ -0.0013665000000000, -0.0013915900000000, -0.0012074600000000 ] - [ -0.0008244600000000, 0.0011319800000000, -0.0011906200000000 ] - [ 0.0030864400000000, -0.0016590200000000, 0.0008185900000000 ] - [ -0.0005342200000000, 0.0022297400000000, -0.0017686500000000 ] - [ -0.0019834900000000, 0.0005055300000000, -0.0002598900000000 ] - [ -0.0009387900000000, -0.0010422500000000, 0.0000783200000000 ] - [ -0.0019517100000000, 0.0021443700000000, -0.0000782200000000 ] - [ -0.0019133700000000, -0.0043341900000000, -0.0003937700000000 ] - [ 0.0011351100000000, -0.0009683700000000, -0.0003949200000000 ] - [ 0.0010486600000000, 0.0010719100000000, -0.0000370900000000 ] - [ 0.0001218500000000, -0.0045799300000000, 0.0004716800000000 ] - [ 0.0009981600000000, 0.0026335100000000, 0.0005689700000000 ] - [ -0.0005063500000000, -0.0016879500000000, -0.0031767700000000 ] - [ -0.0006737100000000, 0.0003018600000000, -0.0014531600000000 ] - [ 0.0013206900000000, 0.0000800400000000, 0.0040029100000000 ] - [ -0.0010212600000000, 0.0008450400000000, -0.0023524300000000 ] - [ -0.0002930600000000, -0.0049633100000000, -0.0027444200000000 ] - [ -0.0016971400000000, 0.0031643800000000, -0.0013574000000000 ] - [ -0.0010354800000000, -0.0019580900000000, -0.0000434400000000 ] - [ -0.0013683300000000, 0.0016936300000000, -0.0011701300000000 ] - [ -0.0016943900000000, 0.0008771600000000, -0.0013608800000000 ] - [ -0.0009825300000000, 0.0012007500000000, 0.0009185100000000 ] - [ -0.0012941200000000, 0.0009779500000000, 0.0013703200000000 ] - [ -0.0015343400000000, 0.0005333100000000, -0.0008061100000000 ] - [ 0.0002774700000000, 0.0016999300000000, -0.0001274700000000 ] - [ -0.0004388100000000, 0.0010485500000000, -0.0003794100000000 ] - [ 0.0033282600000000, 0.0061098500000000, 0.0003845800000000 ] - [ -0.0070512100000000, 0.0024160700000000, -0.0006699500000000 ] - [ 0.0023664300000000, -0.0001799900000000, -0.0031477600000000 ] - [ 0.0010669600000000, 0.0010960400000000, 0.0003062100000000 ] - [ 0.0009899900000000, -0.0011086000000000, 0.0016469000000000 ] - [ 0.0009103100000000, 0.0010265700000000, -0.0005355800000000 ] - [ -0.0001521800000000, -0.0071783000000000, -0.0027435500000000 ] - [ -0.0006530500000000, 0.0036580300000000, -0.0023516000000000 ] - [ -0.0007375200000000, -0.0006498300000000, -0.0015558600000000 ] - [ -0.0006436100000000, 0.0018535300000000, -0.0018377100000000 ] - [ 0.0004418000000000, 0.0003253500000000, -0.0007980500000000 ] - [ -0.0021031600000000, -0.0023073000000000, -0.0001863600000000 ] - [ 0.0000584300000000, 0.0004848700000000, 0.0005528100000000 ] - [ -0.0032232300000000, -0.0010531100000000, -0.0026466000000000 ]- atom: 33 displacement: [ -0.0019782548681478, 0.0000000000000000, 0.0098023725534510 ] forces: - [ 0.0005515200000000, -0.0024239200000000, -0.0060221500000000 ] - [ -0.0010426700000000, -0.0010758400000000, -0.0294597800000000 ] - [ -0.0017273700000000, -0.0009277700000000, 0.0006808300000000 ] - [ -0.0018049400000000, -0.0008388900000000, 0.0018682300000000 ] - [ -0.0009893600000000, 0.0002222200000000, -0.0020809100000000 ] - [ -0.0107339200000000, 0.0094633100000000, 0.0189152300000000 ] - [ -0.0009052000000000, 0.0023619000000000, -0.0024598000000000 ] - [ -0.0056377100000000, -0.0107962600000000, 0.0217568500000000 ] - [ 0.0024465700000000, -0.0018600000000000, 0.0010613200000000 ] - [ 0.0027383000000000, 0.0019683200000000, 0.0027583300000000 ] - [ 0.0001457100000000, 0.0016452000000000, -0.0030780100000000 ] - [ -0.0014060700000000, -0.0043117900000000, -0.0053673800000000 ] - [ 0.0008338900000000, -0.0016438300000000, 0.0057469500000000 ] - [ -0.0013975800000000, 0.0001041800000000, 0.0020818500000000 ] - [ -0.0101518300000000, 0.0013179400000000, -0.0010069900000000 ] - [ -0.0020079600000000, -0.0005791400000000, 0.0000956100000000 ] - [ 0.0019278500000000, 0.0004137900000000, -0.0021867300000000 ] - [ 0.0258142500000000, 0.0050935600000000, -0.0000635500000000 ] - [ 0.0015140600000000, 0.0005130000000000, 0.0000398500000000 ] - [ 0.0003942400000000, -0.0001673500000000, 0.0031049000000000 ] - [ 0.0008373200000000, 0.0001508200000000, -0.0038234700000000 ] - [ -0.0010119900000000, 0.0018865200000000, -0.0004023500000000 ] - [ -0.0023792000000000, 0.0010730900000000, 0.0042114000000000 ] - [ -0.0017565500000000, -0.0000262700000000, 0.0030565500000000 ] - [ -0.0037027700000000, -0.0023493400000000, 0.0036650100000000 ] - [ 0.0004395300000000, -0.0006020200000000, 0.0021663400000000 ] - [ 0.0075668500000000, 0.0009131500000000, 0.0068909100000000 ] - [ 0.0014889900000000, -0.0015792600000000, 0.0028608800000000 ] - [ 0.0010989300000000, 0.0012504600000000, 0.0053285500000000 ] - [ 0.0009471300000000, 0.0011514100000000, 0.0044885300000000 ] - [ -0.0005538600000000, 0.0007301000000000, -0.0026648400000000 ] - [ 0.0013636500000000, 0.0003801700000000, 0.0003733100000000 ] - [ 0.0083669000000000, 0.0334610300000000, -0.2527189800000000 ] - [ -0.0010343700000000, 0.0007709300000000, -0.0025445500000000 ] - [ -0.0010723000000000, 0.0007611800000000, 0.0044419800000000 ] - [ -0.0009036800000000, 0.0010515800000000, 0.0003418800000000 ] - [ -0.0007083500000000, -0.0112784700000000, 0.0043360400000000 ] - [ -0.0002925000000000, 0.0015206400000000, 0.0006664400000000 ] - [ -0.0046345700000000, 0.0097729100000000, 0.0035708300000000 ] - [ -0.0014037200000000, -0.0032545000000000, 0.0004257300000000 ] - [ 0.0002951500000000, 0.0002915400000000, 0.0006677400000000 ] - [ 0.0008190000000000, 0.0035450300000000, 0.0007740500000000 ] - [ 0.0012401500000000, 0.0015310700000000, 0.0012829300000000 ] - [ 0.0025066300000000, -0.0023569200000000, 0.0015345000000000 ] - [ 0.0011222600000000, -0.0009286400000000, 0.0019048200000000 ] - [ 0.0012675800000000, -0.0011532100000000, 0.0038952700000000 ] - [ 0.0005733000000000, -0.0011746600000000, -0.0000396100000000 ] - [ 0.0033963000000000, 0.0008324300000000, -0.0065998800000000 ] - [ 0.0036538500000000, 0.0055052500000000, -0.0050153100000000 ] - [ 0.0005720400000000, -0.0001001700000000, -0.0000602900000000 ] - [ -0.0010624200000000, -0.0034803700000000, -0.0076916000000000 ] - [ -0.0005568700000000, 0.0023781600000000, -0.0000708100000000 ] - [ 0.0007405700000000, -0.0006432900000000, 0.0007957600000000 ] - [ 0.0013481000000000, 0.0001052600000000, -0.0038534600000000 ] - [ 0.0003935500000000, -0.0009844900000000, 0.0030845400000000 ] - [ 0.0234434900000000, -0.0785133600000000, 0.1078501200000000 ] - [ -0.0008151700000000, 0.0021806500000000, -0.0018374300000000 ] - [ -0.0010471200000000, -0.0014589900000000, -0.0021841800000000 ] - [ -0.0014062000000000, -0.0027502400000000, 0.0012280200000000 ] - [ 0.0001850900000000, 0.0054292500000000, 0.0005536900000000 ] - [ -0.0109298300000000, -0.0126236700000000, 0.0184702500000000 ] - [ -0.0003045100000000, -0.0011406300000000, 0.0006880000000000 ] - [ 0.0001796200000000, -0.0011677500000000, -0.0016473900000000 ] - [ 0.0000748400000000, -0.0012532600000000, -0.0006120500000000 ] - [ -0.0001911700000000, 0.0024680000000000, -0.0023257500000000 ] - [ 0.0008650800000000, -0.0011010900000000, -0.0002052700000000 ] - [ 0.0041135300000000, -0.0021930700000000, -0.0006526600000000 ] - [ 0.0029125100000000, 0.0005511500000000, -0.0000160200000000 ] - [ 0.0008531700000000, 0.0001474300000000, 0.0013208900000000 ] - [ -0.0026454900000000, -0.0015234200000000, -0.0054260000000000 ] - [ 0.0016298300000000, -0.0006607900000000, 0.0013450400000000 ] - [ 0.0071242900000000, 0.0020074900000000, -0.0014329100000000 ] - [ 0.0010073900000000, 0.0027950400000000, 0.0037324300000000 ] - [ 0.0014475200000000, -0.0054281500000000, 0.0028508900000000 ] - [ 0.0009564400000000, -0.0018778700000000, -0.0002163900000000 ] - [ 0.0011016600000000, 0.0030955300000000, -0.0007369000000000 ] - [ -0.0012575100000000, 0.0004049400000000, 0.0007821000000000 ] - [ -0.0150389300000000, 0.0535216300000000, 0.0921830600000000 ] - [ -0.0007827300000000, -0.0005470900000000, -0.0009359200000000 ] - [ 0.0004230900000000, -0.0008026900000000, -0.0048486400000000 ] - [ -0.0143646700000000, 0.0019798300000000, 0.0293545300000000 ] - [ 0.0016472300000000, 0.0001032500000000, 0.0010513800000000 ] - [ 0.0019819000000000, 0.0001171700000000, -0.0019823200000000 ] - [ 0.0016979400000000, 0.0002184700000000, -0.0005373500000000 ] - [ 0.0005585100000000, -0.0000257100000000, 0.0031677800000000 ] - [ -0.0006608500000000, -0.0035546800000000, 0.0073914400000000 ] - [ 0.0013283700000000, -0.0000599300000000, -0.0001280100000000 ] - [ 0.0014383500000000, 0.0006236300000000, -0.0008044000000000 ] - [ -0.0014443700000000, 0.0004319500000000, -0.0035621300000000 ] - [ -0.0016157900000000, -0.0008155800000000, -0.0028396500000000 ] - [ -0.0006792700000000, -0.0006178100000000, 0.0008497700000000 ] - [ -0.0012292000000000, 0.0003084100000000, 0.0001885800000000 ] - [ -0.0017200000000000, -0.0001000300000000, -0.0009546300000000 ] - [ -0.0019854800000000, -0.0002117400000000, -0.0023772900000000 ] - [ -0.0013906200000000, -0.0004352300000000, 0.0005603500000000 ] - [ -0.0016011800000000, -0.0001823800000000, 0.0030962400000000 ] - [ 0.0009715500000000, -0.0001080600000000, -0.0019221200000000 ] - [ 0.0009541800000000, 0.0000126600000000, -0.0005529800000000 ] - [ -0.0014778200000000, 0.0001448300000000, 0.0024241200000000 ] - [ 0.0009687200000000, 0.0005210000000000, 0.0005935100000000 ] - [ 0.0002051700000000, 0.0001014000000000, -0.0027342800000000 ] - [ -0.0004382200000000, -0.0017198400000000, -0.0027060500000000 ] - [ -0.0012374900000000, -0.0019260400000000, -0.0003285600000000 ] - [ -0.0011034600000000, 0.0003089000000000, -0.0011985400000000 ] - [ -0.0014866000000000, 0.0029406200000000, -0.0001603300000000 ] - [ -0.0011694400000000, -0.0002807200000000, -0.0011724100000000 ] - [ -0.0016984700000000, -0.0002686600000000, -0.0024063200000000 ] - [ -0.0012482900000000, 0.0003255700000000, -0.0016500400000000 ] - [ -0.0015472600000000, 0.0002520000000000, 0.0006009400000000 ] - [ -0.0021655700000000, -0.0018004100000000, -0.0009321700000000 ] - [ -0.0014781300000000, -0.0001451600000000, -0.0005480900000000 ] - [ -0.0017096000000000, 0.0012624400000000, -0.0006676800000000 ] - [ -0.0001383900000000, 0.0012138500000000, -0.0007955000000000 ] - [ 0.0000175200000000, 0.0012530500000000, -0.0012510400000000 ] - [ 0.0002637700000000, 0.0015448900000000, 0.0003183100000000 ] - [ -0.0022304800000000, 0.0026550600000000, 0.0030517400000000 ] - [ 0.0016932900000000, 0.0006006800000000, 0.0008545400000000 ] - [ 0.0007752200000000, -0.0009430900000000, 0.0012075600000000 ] - [ 0.0006817200000000, -0.0006841900000000, -0.0010463100000000 ] - [ 0.0008940400000000, 0.0008528100000000, -0.0012134500000000 ] - [ 0.0034374400000000, 0.0002598100000000, 0.0020968000000000 ] - [ -0.0006270800000000, 0.0008155400000000, -0.0010485200000000 ] - [ -0.0009511600000000, 0.0011559800000000, -0.0046362200000000 ] - [ -0.0006646300000000, 0.0010147400000000, -0.0027875200000000 ] - [ 0.0002171200000000, -0.0009752400000000, -0.0001913300000000 ] - [ 0.0025052700000000, -0.0026794300000000, -0.0003047300000000 ] - [ -0.0001755400000000, -0.0016015800000000, -0.0002675400000000 ] - [ -0.0034235200000000, 0.0009281900000000, -0.0026905900000000 ]- atom: 33 displacement: [ 0.0019782548681478, 0.0000000000000000, -0.0098023725534510 ] forces: - [ -0.0025406400000000, 0.0002450800000000, 0.0010683500000000 ] - [ -0.0009675800000000, -0.0009170300000000, 0.0245250200000000 ] - [ -0.0002446300000000, -0.0011977300000000, -0.0056269500000000 ] - [ -0.0001728700000000, -0.0013188900000000, -0.0068198100000000 ] - [ -0.0009885900000000, 0.0019355500000000, -0.0028699300000000 ] - [ 0.0087131900000000, -0.0074759400000000, -0.0238569300000000 ] - [ -0.0010632400000000, -0.0001996000000000, -0.0025084100000000 ] - [ 0.0037073700000000, 0.0127635700000000, -0.0267071600000000 ] - [ 0.0009367700000000, 0.0011752700000000, -0.0033138400000000 ] - [ 0.0006572200000000, -0.0026788800000000, -0.0049839800000000 ] - [ 0.0032412100000000, -0.0023479500000000, 0.0007966700000000 ] - [ 0.0048056100000000, 0.0035855000000000, 0.0030983500000000 ] - [ -0.0042269200000000, 0.0009146900000000, -0.0034911900000000 ] - [ -0.0019933900000000, -0.0008039400000000, 0.0001678100000000 ] - [ 0.0067155200000000, -0.0020212300000000, 0.0031983200000000 ] - [ -0.0013791400000000, -0.0001155800000000, 0.0021412300000000 ] - [ 0.0014670100000000, 0.0002920400000000, -0.0000371100000000 ] - [ -0.0224075900000000, -0.0044308300000000, -0.0021053200000000 ] - [ 0.0018682600000000, 0.0001969700000000, -0.0022837400000000 ] - [ 0.0029837900000000, 0.0008639200000000, -0.0053406900000000 ] - [ -0.0041932400000000, 0.0005256400000000, 0.0061406400000000 ] - [ -0.0023679600000000, -0.0011623300000000, 0.0026561500000000 ] - [ -0.0010171000000000, -0.0003618600000000, -0.0019635500000000 ] - [ -0.0016356200000000, 0.0007385800000000, -0.0008168400000000 ] - [ 0.0057427300000000, 0.0002005400000000, 0.0012992900000000 ] - [ 0.0015390800000000, -0.0015310900000000, 0.0027954700000000 ] - [ -0.0055228800000000, -0.0030632800000000, -0.0019294400000000 ] - [ 0.0004857100000000, -0.0005537800000000, 0.0020938700000000 ] - [ 0.0008925000000000, 0.0009093900000000, -0.0003767600000000 ] - [ 0.0010322100000000, 0.0009859900000000, 0.0004672300000000 ] - [ 0.0024913900000000, 0.0014070600000000, 0.0076286600000000 ] - [ 0.0006134100000000, 0.0017607600000000, 0.0045682900000000 ] - [ -0.0115168600000000, -0.0223729400000000, 0.2518691500000000 ] - [ -0.0007479200000000, 0.0011665300000000, 0.0006073100000000 ] - [ -0.0007266800000000, 0.0011540800000000, -0.0063806400000000 ] - [ -0.0008844400000000, 0.0008985800000000, -0.0022824600000000 ] - [ -0.0010995400000000, 0.0094481000000000, -0.0063075400000000 ] - [ -0.0014874900000000, -0.0034496200000000, -0.0025816500000000 ] - [ 0.0027872300000000, -0.0115912900000000, -0.0054982200000000 ] - [ -0.0003846900000000, 0.0013340000000000, -0.0023824000000000 ] - [ 0.0014960600000000, 0.0016461600000000, 0.0012824000000000 ] - [ 0.0009733800000000, -0.0016034500000000, 0.0011721100000000 ] - [ 0.0005452200000000, 0.0004132600000000, 0.0006487100000000 ] - [ -0.0007290200000000, 0.0042927800000000, 0.0003929300000000 ] - [ 0.0006577800000000, -0.0010024300000000, 0.0000316800000000 ] - [ 0.0005135300000000, -0.0007900700000000, -0.0019506200000000 ] - [ 0.0012111200000000, -0.0007640100000000, 0.0019750900000000 ] - [ -0.0016403600000000, -0.0027867800000000, 0.0085420800000000 ] - [ -0.0036997500000000, -0.0029169400000000, 0.0054850300000000 ] - [ -0.0005957200000000, 0.0027159500000000, 0.0004678400000000 ] - [ 0.0010166600000000, 0.0060761100000000, 0.0080033700000000 ] - [ 0.0004904900000000, 0.0003001700000000, 0.0004764700000000 ] - [ 0.0004968000000000, -0.0009667300000000, 0.0029322600000000 ] - [ -0.0001080100000000, -0.0016370900000000, 0.0075385300000000 ] - [ 0.0008297600000000, -0.0005671000000000, 0.0006209900000000 ] - [ -0.0208111100000000, 0.0729766500000000, -0.1015418200000000 ] - [ -0.0011784300000000, -0.0018429400000000, 0.0019039000000000 ] - [ -0.0009489700000000, 0.0018004000000000, 0.0022519200000000 ] - [ -0.0005944500000000, 0.0030851500000000, -0.0011295700000000 ] - [ -0.0022098300000000, -0.0051397100000000, -0.0004038900000000 ] - [ 0.0102732800000000, 0.0090757300000000, -0.0179736000000000 ] - [ 0.0002615000000000, -0.0015222500000000, -0.0002838600000000 ] - [ -0.0002248600000000, -0.0014893000000000, 0.0020492900000000 ] - [ -0.0000910800000000, -0.0013547600000000, 0.0010175800000000 ] - [ 0.0034662900000000, -0.0029674900000000, 0.0027591800000000 ] - [ 0.0024108300000000, 0.0006245700000000, 0.0006171900000000 ] - [ -0.0008176000000000, 0.0017004700000000, 0.0010766600000000 ] - [ 0.0004160900000000, -0.0010215900000000, 0.0004532300000000 ] - [ 0.0015449300000000, -0.0004500600000000, 0.0013851300000000 ] - [ 0.0050368600000000, 0.0012523900000000, 0.0081190000000000 ] - [ 0.0007693600000000, 0.0003574900000000, 0.0013773600000000 ] - [ -0.0047070700000000, -0.0022716300000000, 0.0041489300000000 ] - [ 0.0002442100000000, -0.0012312000000000, -0.0000147100000000 ] - [ -0.0001870100000000, 0.0069784500000000, 0.0008203900000000 ] - [ 0.0002840900000000, 0.0034399500000000, 0.0039386400000000 ] - [ 0.0001239800000000, -0.0015684800000000, 0.0044137200000000 ] - [ -0.0007414200000000, -0.0007375600000000, -0.0007001500000000 ] - [ 0.0131276200000000, -0.0579744000000000, -0.0958423900000000 ] - [ -0.0012212500000000, 0.0001880300000000, 0.0010069600000000 ] - [ -0.0024232700000000, 0.0004886700000000, 0.0049442700000000 ] - [ 0.0182495300000000, -0.0016202700000000, -0.0290293800000000 ] - [ 0.0016431300000000, 0.0003674600000000, -0.0006274200000000 ] - [ 0.0013178500000000, 0.0003624500000000, 0.0024106800000000 ] - [ 0.0015700700000000, 0.0002575400000000, 0.0009606700000000 ] - [ 0.0018171100000000, 0.0003456400000000, -0.0004489600000000 ] - [ 0.0030345600000000, 0.0038329100000000, -0.0046813800000000 ] - [ 0.0010746700000000, 0.0003552600000000, 0.0028482400000000 ] - [ 0.0009631000000000, -0.0003223100000000, 0.0035217600000000 ] - [ -0.0009492500000000, -0.0007283100000000, 0.0008448700000000 ] - [ -0.0007783800000000, 0.0005197400000000, 0.0001209200000000 ] - [ -0.0017111100000000, 0.0003339000000000, -0.0035485400000000 ] - [ -0.0011650900000000, -0.0006027500000000, -0.0029012700000000 ] - [ -0.0014587900000000, -0.0004005000000000, 0.0005412800000000 ] - [ -0.0012650600000000, -0.0002648300000000, 0.0019581400000000 ] - [ -0.0017989900000000, -0.0000650000000000, -0.0009693500000000 ] - [ -0.0017180500000000, -0.0002925400000000, -0.0035106500000000 ] - [ 0.0010291900000000, 0.0004748800000000, 0.0018616600000000 ] - [ 0.0010410000000000, 0.0003962100000000, 0.0005405600000000 ] - [ 0.0034817100000000, 0.0001856900000000, -0.0025104100000000 ] - [ 0.0010229900000000, -0.0001112400000000, -0.0006007100000000 ] - [ -0.0014553100000000, -0.0016876700000000, -0.0009842000000000 ] - [ -0.0008034100000000, 0.0001425400000000, -0.0010196600000000 ] - [ -0.0000330400000000, 0.0003062400000000, -0.0034130500000000 ] - [ -0.0001320300000000, -0.0018718700000000, -0.0024928300000000 ] - [ -0.0009141200000000, -0.0026326400000000, -0.0025802500000000 ] - [ -0.0012290100000000, 0.0005726400000000, -0.0015545700000000 ] - [ -0.0007020500000000, 0.0005654600000000, -0.0003063100000000 ] - [ -0.0011444600000000, -0.0000311300000000, -0.0010652800000000 ] - [ -0.0017337300000000, 0.0002238600000000, -0.0010324400000000 ] - [ -0.0011164900000000, 0.0022778300000000, 0.0005000200000000 ] - [ -0.0017376200000000, 0.0006285900000000, 0.0001334500000000 ] - [ -0.0015550100000000, -0.0007737200000000, 0.0002526900000000 ] - [ 0.0001038800000000, 0.0013212700000000, 0.0003820400000000 ] - [ -0.0000077600000000, 0.0013590400000000, 0.0008436000000000 ] - [ -0.0002830500000000, 0.0010043300000000, -0.0007328800000000 ] - [ 0.0023043400000000, 0.0000117600000000, -0.0034585000000000 ] - [ 0.0002990700000000, -0.0009361400000000, -0.0009597400000000 ] - [ 0.0012230600000000, 0.0005900200000000, -0.0012825500000000 ] - [ 0.0013026400000000, 0.0002960900000000, 0.0010109800000000 ] - [ 0.0011021700000000, -0.0011916100000000, 0.0011430200000000 ] - [ -0.0046699800000000, 0.0012898800000000, -0.0058267200000000 ] - [ -0.0006381600000000, 0.0008343600000000, -0.0027447200000000 ] - [ -0.0003020900000000, 0.0004550200000000, 0.0008962600000000 ] - [ -0.0006024900000000, 0.0006396700000000, -0.0009897800000000 ] - [ -0.0001966000000000, -0.0016546900000000, -0.0002175700000000 ] - [ -0.0024766100000000, 0.0000544200000000, -0.0001030000000000 ] - [ 0.0001686600000000, -0.0009852100000000, -0.0001399800000000 ] - [ 0.0034571500000000, -0.0035467700000000, 0.0022917300000000 ]- atom: 49 displacement: [ 0.0099846139444728, 0.0000000000000000, 0.0005545127409173 ] forces: - [ -0.0012543000000000, -0.0005589400000000, 0.0006607600000000 ] - [ -0.0001551600000000, -0.0018013200000000, -0.0016119400000000 ] - [ 0.0015253500000000, -0.0014492500000000, -0.0047135600000000 ] - [ -0.0004694300000000, -0.0006423500000000, -0.0024467300000000 ] - [ 0.0007784500000000, 0.0042361900000000, -0.0024492200000000 ] - [ 0.0105484400000000, 0.0035850200000000, -0.0005144100000000 ] - [ -0.0008086000000000, 0.0011480700000000, -0.0024463900000000 ] - [ -0.0009046500000000, 0.0010571100000000, -0.0022354200000000 ] - [ -0.0018137000000000, 0.0037411300000000, -0.0055858000000000 ] - [ 0.0007788700000000, -0.0010217900000000, -0.0019322600000000 ] - [ 0.0011783100000000, -0.0006602800000000, -0.0011595700000000 ] - [ 0.0012309100000000, 0.0001362800000000, -0.0014390500000000 ] - [ -0.0107522100000000, -0.0051457700000000, -0.0019232800000000 ] - [ -0.0023438100000000, 0.0004044700000000, 0.0008825400000000 ] - [ -0.0026730500000000, -0.0007792300000000, 0.0005017300000000 ] - [ -0.0018735800000000, -0.0001279900000000, 0.0010121100000000 ] - [ 0.0005563800000000, 0.0007606400000000, -0.0007027400000000 ] - [ -0.0030076600000000, 0.0012849800000000, -0.0014592800000000 ] - [ 0.0014706900000000, 0.0007599000000000, -0.0017525700000000 ] - [ 0.0014676800000000, 0.0000631100000000, -0.0014526000000000 ] - [ -0.0086622400000000, -0.0017652200000000, 0.0034115500000000 ] - [ -0.0023535400000000, 0.0009421600000000, 0.0009975800000000 ] - [ -0.0023084300000000, -0.0000718000000000, 0.0000393700000000 ] - [ -0.0018313400000000, 0.0006571900000000, 0.0008967700000000 ] - [ 0.0213176000000000, -0.0041963700000000, 0.0050251600000000 ] - [ 0.0011821400000000, -0.0006880700000000, 0.0025726400000000 ] - [ 0.0011956800000000, -0.0012973600000000, 0.0023451900000000 ] - [ 0.0010061800000000, -0.0008814000000000, 0.0024026500000000 ] - [ -0.0010399600000000, 0.0000561800000000, 0.0069132800000000 ] - [ 0.0008243500000000, 0.0016667700000000, 0.0028873600000000 ] - [ 0.0024668100000000, -0.0016134700000000, -0.0010924200000000 ] - [ 0.0013151700000000, 0.0017913200000000, 0.0022451800000000 ] - [ -0.0006577400000000, 0.0012198200000000, 0.0025477900000000 ] - [ -0.0009918200000000, 0.0015460300000000, -0.0003955200000000 ] - [ 0.0016862300000000, 0.0002124300000000, -0.0019740000000000 ] - [ -0.0009111500000000, 0.0016843100000000, -0.0015010700000000 ] - [ 0.0760642900000000, -0.0839973400000000, 0.0048121900000000 ] - [ -0.0008985100000000, -0.0009199900000000, -0.0012197200000000 ] - [ -0.0008536000000000, -0.0014413700000000, -0.0008309500000000 ] - [ -0.0009242000000000, -0.0007601400000000, -0.0009437200000000 ] - [ -0.0013507800000000, -0.0061080000000000, -0.0016377300000000 ] - [ -0.0010956400000000, 0.0043320300000000, 0.0008908500000000 ] - [ 0.0006926300000000, 0.0005089600000000, 0.0008632600000000 ] - [ 0.0007970400000000, 0.0012489400000000, 0.0008139900000000 ] - [ 0.0000707000000000, -0.0013590600000000, 0.0010204900000000 ] - [ -0.0000653100000000, 0.0011520200000000, 0.0033206300000000 ] - [ 0.0008568800000000, -0.0010637600000000, 0.0007971900000000 ] - [ 0.0004657600000000, 0.0024159500000000, -0.0027660700000000 ] - [ -0.1419681100000000, 0.0998148700000000, -0.0112157000000000 ] - [ -0.0003845700000000, 0.0006741500000000, 0.0001820000000000 ] - [ -0.0002525000000000, 0.0015193500000000, 0.0000482300000000 ] - [ -0.0000306500000000, 0.0011327200000000, 0.0001778900000000 ] - [ 0.0000731600000000, -0.0017160800000000, 0.0027087100000000 ] - [ -0.0035387200000000, -0.0010773400000000, 0.0010018000000000 ] - [ 0.0005665300000000, -0.0010015000000000, 0.0014823300000000 ] - [ 0.0003053900000000, -0.0006600700000000, 0.0009986000000000 ] - [ -0.0022876500000000, -0.0060943100000000, 0.0036593900000000 ] - [ -0.0009837000000000, 0.0003140100000000, 0.0004732400000000 ] - [ -0.0007745600000000, 0.0003588500000000, -0.0003315800000000 ] - [ -0.0008252000000000, 0.0001421900000000, -0.0000802800000000 ] - [ -0.0014951800000000, -0.0009822400000000, -0.0008862900000000 ] - [ -0.0002891200000000, -0.0014507500000000, 0.0000246100000000 ] - [ -0.0015268300000000, -0.0006984100000000, -0.0005863400000000 ] - [ -0.0002792900000000, -0.0018026800000000, 0.0002490200000000 ] - [ 0.0214010000000000, -0.0091861800000000, 0.0035045300000000 ] - [ 0.0018515600000000, -0.0004074800000000, 0.0001460900000000 ] - [ 0.0018080700000000, 0.0000288300000000, 0.0004190200000000 ] - [ 0.0016800700000000, -0.0003782100000000, 0.0002918700000000 ] - [ 0.0020613200000000, -0.0014391300000000, 0.0010732500000000 ] - [ 0.0042215100000000, 0.0032338100000000, 0.0015896400000000 ] - [ 0.0012812300000000, -0.0001691900000000, 0.0015375700000000 ] - [ 0.0013711800000000, -0.0002074400000000, 0.0015489600000000 ] - [ -0.0025891400000000, -0.0054596900000000, -0.0012169900000000 ] - [ 0.0007074100000000, 0.0017380200000000, 0.0010777300000000 ] - [ 0.0004165400000000, 0.0011192400000000, 0.0021401100000000 ] - [ 0.0005525500000000, 0.0006985400000000, 0.0018175200000000 ] - [ -0.0005424600000000, -0.0010443900000000, -0.0006810200000000 ] - [ 0.0003778000000000, 0.0042505100000000, -0.0047425100000000 ] - [ -0.0010362500000000, -0.0003414200000000, 0.0003589600000000 ] - [ -0.0011860800000000, -0.0000567400000000, -0.0000755700000000 ] - [ 0.0028205700000000, 0.0002933600000000, -0.0000245500000000 ] - [ 0.0020335400000000, -0.0000584700000000, 0.0001241500000000 ] - [ 0.0014941000000000, 0.0007714700000000, 0.0013199600000000 ] - [ 0.0017519600000000, -0.0000049400000000, 0.0004026600000000 ] - [ 0.0022260100000000, 0.0002999800000000, 0.0008750400000000 ] - [ 0.0018479300000000, 0.0000139200000000, 0.0014871100000000 ] - [ 0.0013040800000000, 0.0001458600000000, 0.0028167400000000 ] - [ 0.0011533500000000, -0.0000253400000000, 0.0014999300000000 ] - [ 0.0013647400000000, 0.0006291600000000, 0.0002516500000000 ] - [ -0.0007871100000000, -0.0002272500000000, -0.0011282200000000 ] - [ -0.0001073300000000, 0.0002404000000000, -0.0011330100000000 ] - [ -0.0010296300000000, -0.0004033600000000, -0.0012413400000000 ] - [ -0.0007238600000000, -0.0008309800000000, 0.0003757100000000 ] - [ -0.0002361600000000, -0.0004664700000000, 0.0000178600000000 ] - [ -0.0014037700000000, -0.0001957000000000, -0.0001999100000000 ] - [ -0.0003073000000000, -0.0009758900000000, 0.0007799400000000 ] - [ 0.0053396400000000, -0.0014795600000000, -0.0048764300000000 ] - [ 0.0013221600000000, -0.0000086800000000, -0.0001754300000000 ] - [ 0.0012262900000000, 0.0004673500000000, 0.0019714200000000 ] - [ 0.0010453000000000, 0.0000595400000000, 0.0000372000000000 ] - [ 0.0066931000000000, 0.0080921800000000, -0.0056394600000000 ] - [ -0.0004658200000000, -0.0020092000000000, -0.0024112900000000 ] - [ -0.0008350600000000, -0.0003764200000000, -0.0013918500000000 ] - [ -0.0006552400000000, -0.0010056900000000, -0.0016981600000000 ] - [ 0.0166673900000000, 0.0009196100000000, 0.0021509200000000 ] - [ -0.0007679300000000, -0.0002595400000000, -0.0014410800000000 ] - [ -0.0008138600000000, 0.0003748800000000, -0.0008523500000000 ] - [ -0.0010462900000000, -0.0000626100000000, -0.0011925500000000 ] - [ 0.0025302600000000, 0.0002969400000000, -0.0000940600000000 ] - [ -0.0000928300000000, -0.0001763900000000, -0.0001442000000000 ] - [ -0.0013206300000000, 0.0003655300000000, -0.0000036100000000 ] - [ -0.0015307500000000, 0.0001617900000000, -0.0000367900000000 ] - [ -0.0002382800000000, 0.0022882100000000, -0.0008496800000000 ] - [ -0.0002605100000000, 0.0006355800000000, -0.0006425100000000 ] - [ -0.0007642500000000, 0.0018335900000000, -0.0003162500000000 ] - [ -0.0007908600000000, -0.0000724300000000, 0.0002173800000000 ] - [ 0.0037963500000000, 0.0036292000000000, 0.0028305900000000 ] - [ 0.0013599400000000, -0.0011021700000000, 0.0003536100000000 ] - [ 0.0015946500000000, 0.0001512500000000, -0.0002056000000000 ] - [ 0.0011294700000000, -0.0003156100000000, -0.0000241300000000 ] - [ 0.0004834700000000, -0.0021722700000000, 0.0072781900000000 ] - [ -0.0007385700000000, 0.0006695700000000, -0.0017832100000000 ] - [ -0.0005639700000000, 0.0006879600000000, -0.0031033400000000 ] - [ -0.0005247900000000, 0.0007147200000000, -0.0018259000000000 ] - [ -0.0013179300000000, 0.0002800900000000, 0.0000199700000000 ] - [ 0.0001740400000000, -0.0082466000000000, -0.0002967500000000 ] - [ -0.0001046500000000, -0.0011660000000000, -0.0002244700000000 ] - [ -0.0000923700000000, -0.0014931500000000, -0.0002229400000000 ]- atom: 49 displacement: [ -0.0099846139444728, 0.0000000000000000, -0.0005545127409173 ] forces: - [ -0.0007469100000000, -0.0015452300000000, -0.0055567300000000 ] - [ -0.0018217500000000, -0.0003292000000000, -0.0033337900000000 ] - [ -0.0034913500000000, -0.0006638800000000, -0.0002719900000000 ] - [ -0.0015033000000000, -0.0014918700000000, -0.0025227500000000 ] - [ -0.0027441700000000, -0.0020498100000000, -0.0025236500000000 ] - [ -0.0123982500000000, -0.0015087300000000, -0.0044083900000000 ] - [ -0.0011762900000000, 0.0009818500000000, -0.0025157600000000 ] - [ -0.0010753000000000, 0.0010621300000000, -0.0027237200000000 ] - [ 0.0051625700000000, -0.0044757100000000, 0.0033589900000000 ] - [ 0.0026020500000000, 0.0003319300000000, -0.0002894200000000 ] - [ 0.0022106900000000, -0.0000506700000000, -0.0010883900000000 ] - [ 0.0021621000000000, -0.0008402600000000, -0.0008079800000000 ] - [ 0.0073303700000000, 0.0044454100000000, 0.0042118600000000 ] - [ -0.0010574500000000, -0.0011049700000000, 0.0013612800000000 ] - [ -0.0007318500000000, 0.0000682100000000, 0.0017206100000000 ] - [ -0.0015192700000000, -0.0005764700000000, 0.0012235700000000 ] - [ 0.0028207700000000, -0.0000603500000000, -0.0015323500000000 ] - [ 0.0063585300000000, -0.0005501300000000, -0.0008155400000000 ] - [ 0.0019240900000000, -0.0000528600000000, -0.0004950000000000 ] - [ 0.0019178200000000, 0.0006428300000000, -0.0007844900000000 ] - [ 0.0052406200000000, 0.0024423700000000, -0.0012248400000000 ] - [ -0.0010485400000000, -0.0002201700000000, 0.0012304400000000 ] - [ -0.0010994800000000, 0.0007768900000000, 0.0022027600000000 ] - [ -0.0015651600000000, 0.0000543300000000, 0.0013380000000000 ] - [ -0.0171401700000000, 0.0016166100000000, 0.0003159800000000 ] - [ 0.0008017400000000, -0.0014276600000000, 0.0023952600000000 ] - [ 0.0007948300000000, -0.0008294100000000, 0.0026129800000000 ] - [ 0.0009781000000000, -0.0012387100000000, 0.0025517900000000 ] - [ 0.0030431400000000, 0.0020425000000000, -0.0019151700000000 ] - [ 0.0011645800000000, 0.0004672600000000, 0.0020836600000000 ] - [ -0.0004409800000000, 0.0037182900000000, 0.0060323900000000 ] - [ 0.0006724500000000, 0.0003390700000000, 0.0027005000000000 ] - [ -0.0011724500000000, 0.0006984200000000, -0.0044568200000000 ] - [ -0.0008053500000000, 0.0003927200000000, -0.0015321800000000 ] - [ -0.0035028400000000, 0.0017157600000000, -0.0000298400000000 ] - [ -0.0008896400000000, 0.0002541800000000, -0.0004427000000000 ] - [ -0.0789746100000000, 0.0855972100000000, -0.0069200000000000 ] - [ -0.0009051900000000, -0.0010231000000000, -0.0007182400000000 ] - [ -0.0009465700000000, -0.0004895500000000, -0.0011087900000000 ] - [ -0.0008698900000000, -0.0011678000000000, -0.0009986600000000 ] - [ 0.0031621100000000, 0.0079894300000000, 0.0035709900000000 ] - [ 0.0028759300000000, -0.0023518000000000, 0.0010466400000000 ] - [ 0.0011026900000000, 0.0014167100000000, 0.0010761100000000 ] - [ 0.0009968800000000, 0.0006919000000000, 0.0011283300000000 ] - [ 0.0017223600000000, -0.0005731000000000, 0.0009208200000000 ] - [ 0.0018638900000000, -0.0030572500000000, -0.0013413400000000 ] - [ 0.0009411400000000, -0.0008723300000000, 0.0011395500000000 ] - [ 0.0013261700000000, -0.0043203900000000, 0.0046695400000000 ] - [ 0.1406286200000000, -0.1004728200000000, 0.0113399700000000 ] - [ 0.0003727400000000, 0.0019160600000000, 0.0002443900000000 ] - [ 0.0002347300000000, 0.0010952900000000, 0.0003578500000000 ] - [ 0.0000403700000000, 0.0014450000000000, 0.0002145000000000 ] - [ 0.0011574200000000, 0.0000969300000000, 0.0010470700000000 ] - [ 0.0047529300000000, -0.0004535900000000, 0.0028087900000000 ] - [ 0.0006599300000000, -0.0005663000000000, 0.0021943800000000 ] - [ 0.0009300500000000, -0.0009518600000000, 0.0027163000000000 ] - [ 0.0003296500000000, 0.0064304000000000, -0.0035556500000000 ] - [ -0.0010253800000000, 0.0000672600000000, -0.0003741900000000 ] - [ -0.0012296500000000, -0.0000072100000000, 0.0004007400000000 ] - [ -0.0011838400000000, 0.0002277000000000, 0.0001275900000000 ] - [ 0.0015048400000000, -0.0015973800000000, 0.0012605800000000 ] - [ 0.0002607400000000, -0.0011812200000000, 0.0003729700000000 ] - [ 0.0015032800000000, -0.0019087700000000, 0.0010234800000000 ] - [ 0.0002783000000000, -0.0007673400000000, 0.0001690900000000 ] - [ -0.0184332600000000, 0.0088917400000000, -0.0031245800000000 ] - [ 0.0014267700000000, -0.0000662300000000, 0.0002771900000000 ] - [ 0.0014870500000000, -0.0004903700000000, -0.0000027100000000 ] - [ 0.0015722500000000, -0.0000935600000000, 0.0001182000000000 ] - [ 0.0003485200000000, 0.0011349000000000, 0.0016469000000000 ] - [ -0.0018271200000000, -0.0035848500000000, 0.0011194000000000 ] - [ 0.0011177500000000, -0.0001333300000000, 0.0011721100000000 ] - [ 0.0010273700000000, -0.0000990400000000, 0.0011621200000000 ] - [ 0.0038968200000000, 0.0069630900000000, 0.0049069000000000 ] - [ 0.0005253400000000, -0.0001079100000000, 0.0026168800000000 ] - [ 0.0008063700000000, 0.0004677000000000, 0.0015602600000000 ] - [ 0.0006859100000000, 0.0009234700000000, 0.0019241400000000 ] - [ -0.0014575300000000, 0.0006916200000000, 0.0007608600000000 ] - [ -0.0023317700000000, -0.0046061400000000, 0.0048041800000000 ] - [ -0.0009816500000000, -0.0000175500000000, -0.0002895100000000 ] - [ -0.0008191000000000, -0.0003018400000000, 0.0001641800000000 ] - [ 0.0004636500000000, 0.0001697100000000, 0.0004520600000000 ] - [ 0.0012777200000000, 0.0005230600000000, 0.0002947700000000 ] - [ 0.0017903000000000, -0.0003061800000000, -0.0009049800000000 ] - [ 0.0015135900000000, 0.0004793000000000, 0.0000179800000000 ] - [ 0.0001863800000000, 0.0000189300000000, 0.0018371400000000 ] - [ 0.0005585800000000, 0.0002813100000000, 0.0012298200000000 ] - [ 0.0010997300000000, 0.0001569800000000, -0.0000964500000000 ] - [ 0.0012483600000000, 0.0003265100000000, 0.0012185400000000 ] - [ -0.0037453900000000, -0.0009204400000000, -0.0029730300000000 ] - [ -0.0015998700000000, -0.0000781600000000, -0.0015794200000000 ] - [ -0.0022825100000000, -0.0005346600000000, -0.0015687700000000 ] - [ -0.0013600000000000, 0.0000998300000000, -0.0014734000000000 ] - [ -0.0025690700000000, 0.0003715900000000, -0.0007900900000000 ] - [ -0.0030164500000000, -0.0000185900000000, -0.0004410900000000 ] - [ -0.0018564900000000, -0.0002769600000000, -0.0002190800000000 ] - [ -0.0029450900000000, 0.0004881300000000, -0.0011860100000000 ] - [ -0.0032903400000000, 0.0018134500000000, 0.0047329800000000 ] - [ 0.0006938800000000, 0.0003508600000000, 0.0000967900000000 ] - [ 0.0007895600000000, -0.0000982500000000, -0.0020236200000000 ] - [ 0.0009662800000000, 0.0003044800000000, -0.0001105600000000 ] - [ -0.0078844600000000, -0.0095801900000000, 0.0018696100000000 ] - [ -0.0007748000000000, 0.0003806000000000, -0.0013222600000000 ] - [ -0.0004136000000000, -0.0012507400000000, -0.0023639400000000 ] - [ -0.0005810400000000, -0.0006026200000000, -0.0020348100000000 ] - [ -0.0188411900000000, -0.0006171900000000, -0.0048005900000000 ] - [ -0.0016215700000000, 0.0005626000000000, -0.0012669300000000 ] - [ -0.0015772000000000, -0.0000732000000000, -0.0018580900000000 ] - [ -0.0013418800000000, 0.0003619200000000, -0.0015212700000000 ] - [ -0.0057913800000000, 0.0001937600000000, -0.0003149600000000 ] - [ -0.0031509900000000, 0.0006346100000000, -0.0002666700000000 ] - [ -0.0019143900000000, 0.0001177100000000, -0.0004123500000000 ] - [ -0.0017320700000000, 0.0003039200000000, -0.0003815000000000 ] - [ 0.0002507700000000, 0.0003384600000000, 0.0004408400000000 ] - [ 0.0002493600000000, 0.0019494400000000, 0.0002315900000000 ] - [ 0.0007499100000000, 0.0007516900000000, -0.0001031500000000 ] - [ 0.0007866400000000, 0.0026522800000000, -0.0006305300000000 ] - [ -0.0017837000000000, -0.0039288100000000, -0.0028733100000000 ] - [ 0.0006555500000000, 0.0007117900000000, -0.0003996100000000 ] - [ 0.0004275400000000, -0.0005332500000000, 0.0001428100000000 ] - [ 0.0008864200000000, -0.0000320800000000, -0.0000564800000000 ] - [ -0.0017446200000000, 0.0037585100000000, -0.0108960600000000 ] - [ -0.0005122900000000, 0.0009426700000000, -0.0019556600000000 ] - [ -0.0006737500000000, 0.0009151100000000, -0.0006446900000000 ] - [ -0.0006961100000000, 0.0008707400000000, -0.0018742000000000 ] - [ 0.0012937500000000, -0.0028519900000000, -0.0004171000000000 ] - [ -0.0001778600000000, 0.0055498800000000, -0.0001114900000000 ] - [ 0.0000925600000000, -0.0013967200000000, -0.0001987000000000 ] - [ 0.0000903100000000, -0.0010982700000000, -0.0001919400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011608800000000, -0.0017016500000000, -0.0119983500000000 ] - [ -0.0013769000000000, -0.0030658000000000, 0.0014284500000000 ] - [ -0.0042331800000000, -0.0013662000000000, 0.0040260800000000 ] - [ 0.0002219400000000, -0.0041670900000000, -0.0062703200000000 ] - [ -0.0024706500000000, -0.0098196600000000, -0.0005688200000000 ] - [ 0.0003836100000000, 0.0224551800000000, -0.0001153300000000 ] - [ -0.0011338700000000, 0.0002238300000000, -0.0026656000000000 ] - [ -0.0006983400000000, 0.0016616200000000, -0.0025821400000000 ] - [ 0.0072399700000000, -0.0020691500000000, 0.0031972100000000 ] - [ -0.0007472900000000, -0.0024943900000000, -0.0036157300000000 ] - [ 0.0022643300000000, -0.0000420500000000, -0.0018972100000000 ] - [ 0.0014144800000000, -0.0009685600000000, -0.0003207200000000 ] - [ -0.0016774300000000, 0.0075958900000000, 0.0011505300000000 ] - [ -0.0012576000000000, -0.0039634000000000, 0.0015832700000000 ] - [ -0.0016315200000000, 0.0013293400000000, 0.0015376500000000 ] - [ -0.0015604900000000, -0.0017652200000000, 0.0010194300000000 ] - [ 0.0034063600000000, -0.0021943200000000, -0.0020075700000000 ] - [ -0.0010209700000000, 0.0014967500000000, 0.0003158600000000 ] - [ 0.0020700000000000, -0.0010451300000000, -0.0001142700000000 ] - [ 0.0009231500000000, 0.0012037800000000, -0.0021058100000000 ] - [ 0.0005840200000000, 0.0040727300000000, -0.0016628800000000 ] - [ -0.0018272000000000, -0.0023207600000000, 0.0017729800000000 ] - [ -0.0015629300000000, 0.0025229900000000, 0.0022331200000000 ] - [ -0.0019131700000000, -0.0012651400000000, 0.0005578300000000 ] - [ 0.0013996500000000, 0.0110307600000000, 0.0017148900000000 ] - [ 0.0010289400000000, -0.0047720400000000, 0.0026041100000000 ] - [ 0.0008434700000000, 0.0001956800000000, 0.0026066400000000 ] - [ 0.0010259200000000, -0.0022053800000000, 0.0025387500000000 ] - [ 0.0009013900000000, 0.0040578800000000, 0.0046974900000000 ] - [ 0.0012517700000000, -0.0008609600000000, 0.0015898200000000 ] - [ 0.0000843500000000, 0.0045093600000000, 0.0009852400000000 ] - [ 0.0009872800000000, -0.0009004400000000, 0.0033085200000000 ] - [ -0.0010537500000000, 0.0075800200000000, 0.0033037700000000 ] - [ -0.0011419400000000, -0.0023704100000000, -0.0024605500000000 ] - [ -0.0018324900000000, 0.0089373600000000, -0.0060683300000000 ] - [ -0.0007739600000000, -0.0023806500000000, 0.0000908100000000 ] - [ -0.0897663800000000, 0.1593733600000000, -0.0074624800000000 ] - [ -0.0013726900000000, -0.0080345200000000, -0.0012737100000000 ] - [ -0.0009177600000000, 0.0008250600000000, -0.0011794800000000 ] - [ -0.0008843400000000, -0.0024673900000000, -0.0010075900000000 ] - [ -0.0011709800000000, -0.0001287600000000, -0.0007555800000000 ] - [ 0.0032432900000000, -0.0038051200000000, 0.0011387300000000 ] - [ 0.0009971600000000, 0.0012312600000000, 0.0010707600000000 ] - [ 0.0008619500000000, 0.0005694600000000, 0.0009882600000000 ] - [ 0.0010223400000000, -0.0026012600000000, 0.0013305900000000 ] - [ 0.0018286400000000, 0.0000192600000000, -0.0002349300000000 ] - [ 0.0005273200000000, -0.0027489700000000, 0.0005595000000000 ] - [ 0.0013533600000000, -0.0012392700000000, 0.0033234600000000 ] - [ 0.1034471100000000, -0.2413023300000000, 0.0058466300000000 ] - [ -0.0006297500000000, 0.0058309100000000, 0.0002550800000000 ] - [ 0.0002403900000000, -0.0000265400000000, 0.0002626500000000 ] - [ -0.0001869000000000, 0.0023964700000000, 0.0002258200000000 ] - [ 0.0014637700000000, 0.0021926900000000, -0.0004312300000000 ] - [ 0.0006507200000000, 0.0041373200000000, 0.0170962100000000 ] - [ 0.0005928900000000, 0.0006236500000000, 0.0027431000000000 ] - [ 0.0005664400000000, -0.0017919200000000, 0.0001298200000000 ] - [ -0.0065411600000000, 0.0120580600000000, -0.0087604900000000 ] - [ 0.0005189300000000, 0.0062809700000000, 0.0040910200000000 ] - [ -0.0016901300000000, -0.0005289500000000, 0.0012936800000000 ] - [ -0.0007460300000000, 0.0006918100000000, -0.0005544000000000 ] - [ -0.0006968200000000, -0.0052096200000000, 0.0015024900000000 ] - [ 0.0005224000000000, 0.0012178600000000, -0.0001647800000000 ] - [ -0.0002576300000000, -0.0051869800000000, -0.0007876200000000 ] - [ 0.0000593800000000, 0.0011603200000000, 0.0003908400000000 ] - [ -0.0102979600000000, -0.0022603800000000, -0.0022119000000000 ] - [ 0.0029700600000000, 0.0019165200000000, 0.0003943300000000 ] - [ 0.0012611200000000, -0.0011371500000000, 0.0000893500000000 ] - [ 0.0018576300000000, 0.0004823700000000, 0.0002692400000000 ] - [ -0.0010452700000000, 0.0029194000000000, 0.0011286800000000 ] - [ 0.0082929300000000, -0.0009502600000000, 0.0034037200000000 ] - [ 0.0009831100000000, 0.0003542800000000, 0.0012220000000000 ] - [ 0.0014758700000000, -0.0005336600000000, 0.0015448900000000 ] - [ -0.0055246100000000, 0.0204763600000000, 0.0122379600000000 ] - [ 0.0014327800000000, 0.0085272900000000, -0.0034110000000000 ] - [ 0.0009085800000000, 0.0002032100000000, 0.0010752600000000 ] - [ 0.0003769100000000, 0.0014182800000000, 0.0027268200000000 ] - [ -0.0021502800000000, 0.0034768000000000, 0.0021830800000000 ] - [ 0.0054736900000000, 0.0014995400000000, -0.0086651600000000 ] - [ -0.0011180800000000, 0.0007589100000000, -0.0005637900000000 ] - [ -0.0006432400000000, -0.0008583300000000, 0.0023504100000000 ] - [ 0.0026468300000000, -0.0020958100000000, -0.0002291000000000 ] - [ 0.0008523500000000, 0.0017430900000000, 0.0004810900000000 ] - [ 0.0027507000000000, -0.0019084200000000, 0.0009636400000000 ] - [ 0.0013663800000000, 0.0014704300000000, -0.0000106100000000 ] - [ -0.0006769800000000, -0.0000214500000000, 0.0025966400000000 ] - [ 0.0022372500000000, 0.0014326600000000, 0.0005084200000000 ] - [ 0.0002302300000000, 0.0000428400000000, -0.0015641300000000 ] - [ 0.0020629900000000, 0.0006237700000000, 0.0028782200000000 ] - [ -0.0017595800000000, -0.0027550700000000, -0.0028902700000000 ] - [ -0.0008226200000000, 0.0016692900000000, -0.0009914700000000 ] - [ -0.0014053300000000, -0.0013534800000000, -0.0005788100000000 ] - [ -0.0011579400000000, 0.0008089600000000, -0.0017936700000000 ] - [ -0.0022363000000000, 0.0010046600000000, -0.0009503400000000 ] - [ -0.0014282200000000, -0.0009995200000000, 0.0002750800000000 ] - [ -0.0018366200000000, 0.0003286600000000, 0.0001843900000000 ] - [ -0.0018707000000000, -0.0003035100000000, -0.0011662300000000 ] - [ -0.0004907000000000, -0.0012513400000000, 0.0010118500000000 ] - [ 0.0009440300000000, 0.0014753800000000, 0.0000685700000000 ] - [ 0.0010326300000000, -0.0008487400000000, -0.0011761400000000 ] - [ 0.0009767200000000, 0.0010457700000000, 0.0001633300000000 ] - [ 0.0061298100000000, -0.0007229100000000, -0.0036438200000000 ] - [ -0.0010500700000000, 0.0015805200000000, -0.0011693900000000 ] - [ -0.0005843300000000, -0.0014215100000000, -0.0018355800000000 ] - [ -0.0006374200000000, -0.0002762300000000, -0.0020698300000000 ] - [ -0.0057486500000000, -0.0024196400000000, -0.0021448500000000 ] - [ -0.0016007600000000, 0.0021875400000000, -0.0013113000000000 ] - [ -0.0010684000000000, -0.0009316600000000, -0.0015129300000000 ] - [ -0.0013902200000000, 0.0011184800000000, -0.0013798800000000 ] - [ -0.0021412800000000, 0.0009863500000000, 0.0008661600000000 ] - [ -0.0022239000000000, 0.0014767800000000, -0.0005618800000000 ] - [ -0.0018479700000000, 0.0001523100000000, -0.0003192100000000 ] - [ -0.0014079100000000, 0.0004161000000000, -0.0001805500000000 ] - [ 0.0006591800000000, 0.0016170500000000, -0.0006452900000000 ] - [ -0.0009753600000000, 0.0017048500000000, 0.0003051700000000 ] - [ 0.0013347600000000, 0.0017824500000000, 0.0008906000000000 ] - [ -0.0004383600000000, 0.0018359300000000, -0.0010624200000000 ] - [ 0.0025318900000000, -0.0021278600000000, 0.0011791700000000 ] - [ 0.0006524800000000, 0.0018350300000000, -0.0008284000000000 ] - [ 0.0009979600000000, -0.0005808200000000, -0.0004534800000000 ] - [ 0.0009585600000000, 0.0002579200000000, 0.0001713800000000 ] - [ -0.0029401800000000, -0.0006151500000000, -0.0060832400000000 ] - [ -0.0004683300000000, 0.0021587500000000, -0.0018166000000000 ] - [ -0.0007313600000000, -0.0005109400000000, -0.0014179300000000 ] - [ -0.0007064200000000, 0.0019076400000000, -0.0021253600000000 ] - [ 0.0015871500000000, 0.0007072700000000, -0.0000834600000000 ] - [ -0.0067788600000000, 0.0032352300000000, -0.0012933200000000 ] - [ 0.0001154700000000, -0.0010122800000000, -0.0001769000000000 ] - [ -0.0002091800000000, -0.0014141500000000, -0.0002963700000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031382300000000, -0.0004407400000000, 0.0070322500000000 ] - [ -0.0005932500000000, 0.0009109600000000, -0.0064246400000000 ] - [ 0.0022584200000000, -0.0007700000000000, -0.0089784800000000 ] - [ -0.0022193800000000, 0.0020278100000000, 0.0013477900000000 ] - [ 0.0004863500000000, 0.0119612500000000, -0.0043609500000000 ] - [ -0.0027863400000000, -0.0225291800000000, -0.0049228500000000 ] - [ -0.0008268200000000, 0.0019229900000000, -0.0022943300000000 ] - [ -0.0012651400000000, 0.0005031400000000, -0.0023728600000000 ] - [ -0.0038283700000000, 0.0014076100000000, -0.0054577000000000 ] - [ 0.0041542100000000, 0.0017815700000000, 0.0013970100000000 ] - [ 0.0011242500000000, -0.0006579200000000, -0.0003468200000000 ] - [ 0.0019704200000000, 0.0002592700000000, -0.0019290700000000 ] - [ -0.0017145200000000, -0.0083568600000000, 0.0010657200000000 ] - [ -0.0021213100000000, 0.0032737900000000, 0.0006728200000000 ] - [ -0.0017477800000000, -0.0020440400000000, 0.0007159400000000 ] - [ -0.0018257800000000, 0.0010642400000000, 0.0012070000000000 ] - [ -0.0000148200000000, 0.0029189500000000, -0.0002321600000000 ] - [ 0.0044302500000000, -0.0008373000000000, -0.0025507700000000 ] - [ 0.0013126500000000, 0.0017503400000000, -0.0021270700000000 ] - [ 0.0024645000000000, -0.0005087600000000, -0.0001424300000000 ] - [ -0.0039715200000000, -0.0033468700000000, 0.0039523900000000 ] - [ -0.0015497800000000, 0.0030333600000000, 0.0004596200000000 ] - [ -0.0018207300000000, -0.0018203900000000, -0.0000062300000000 ] - [ -0.0014733700000000, 0.0019799700000000, 0.0016934700000000 ] - [ 0.0005389200000000, -0.0131867200000000, 0.0032565700000000 ] - [ 0.0009431900000000, 0.0026413800000000, 0.0023483400000000 ] - [ 0.0011193300000000, -0.0023622400000000, 0.0023321400000000 ] - [ 0.0009395100000000, 0.0000516900000000, 0.0024223100000000 ] - [ 0.0010928600000000, -0.0018937100000000, 0.0002179000000000 ] - [ 0.0007339100000000, 0.0030130000000000, 0.0033709000000000 ] - [ 0.0018802400000000, -0.0023509500000000, 0.0040115900000000 ] - [ 0.0009864000000000, 0.0030448700000000, 0.0016316900000000 ] - [ -0.0007522100000000, -0.0056915600000000, -0.0052210000000000 ] - [ -0.0006314000000000, 0.0043291300000000, 0.0005265700000000 ] - [ 0.0000438200000000, -0.0070709000000000, 0.0040791800000000 ] - [ -0.0010121900000000, 0.0043308800000000, -0.0020231000000000 ] - [ 0.0819313000000000, -0.1537451800000000, 0.0050003700000000 ] - [ -0.0004006300000000, 0.0061543400000000, -0.0006564900000000 ] - [ -0.0008641800000000, -0.0027657500000000, -0.0007597000000000 ] - [ -0.0008992500000000, 0.0005222800000000, -0.0009292000000000 ] - [ 0.0029390000000000, 0.0021014400000000, 0.0027029400000000 ] - [ -0.0014750800000000, 0.0057601900000000, 0.0007935100000000 ] - [ 0.0007894300000000, 0.0007234100000000, 0.0008653000000000 ] - [ 0.0009188500000000, 0.0013704600000000, 0.0009486600000000 ] - [ 0.0007578400000000, 0.0006735500000000, 0.0006088600000000 ] - [ -0.0000398800000000, -0.0019878300000000, 0.0021656300000000 ] - [ 0.0012537200000000, 0.0008200500000000, 0.0013738000000000 ] - [ 0.0004256200000000, -0.0007380700000000, -0.0013744400000000 ] - [ -0.0965987600000000, 0.2383764700000000, -0.0047274500000000 ] - [ 0.0006021400000000, -0.0032067500000000, 0.0001612800000000 ] - [ -0.0001946400000000, 0.0025485900000000, 0.0001531400000000 ] - [ 0.0001689300000000, 0.0002333000000000, 0.0001762800000000 ] - [ -0.0002241900000000, -0.0037668800000000, 0.0041419700000000 ] - [ 0.0006037500000000, -0.0057343600000000, -0.0135225300000000 ] - [ 0.0006575300000000, -0.0021960100000000, 0.0009905200000000 ] - [ 0.0006873200000000, 0.0002092900000000, 0.0036001600000000 ] - [ 0.0044463900000000, -0.0115363700000000, 0.0086859200000000 ] - [ -0.0025390500000000, -0.0060248700000000, -0.0040759500000000 ] - [ -0.0003008400000000, 0.0009507300000000, -0.0013054300000000 ] - [ -0.0012622000000000, -0.0003429500000000, 0.0006272100000000 ] - [ 0.0007025500000000, 0.0025869200000000, -0.0011215600000000 ] - [ -0.0005564800000000, -0.0038724400000000, 0.0005807000000000 ] - [ 0.0002591800000000, 0.0025817000000000, 0.0012391800000000 ] - [ -0.0000932200000000, -0.0038119700000000, 0.0000125700000000 ] - [ 0.0135095800000000, 0.0017109700000000, 0.0026301000000000 ] - [ 0.0003056100000000, -0.0024000600000000, 0.0000263200000000 ] - [ 0.0018936600000000, 0.0006421400000000, 0.0003189400000000 ] - [ 0.0014239800000000, -0.0009550800000000, 0.0001462500000000 ] - [ 0.0034328400000000, -0.0032276500000000, 0.0015922600000000 ] - [ -0.0059831800000000, 0.0007027100000000, -0.0006994000000000 ] - [ 0.0014096200000000, -0.0006573500000000, 0.0014962200000000 ] - [ 0.0009123800000000, 0.0002351700000000, 0.0011701300000000 ] - [ 0.0066869500000000, -0.0185563500000000, -0.0082889300000000 ] - [ -0.0001991500000000, -0.0070568200000000, 0.0072154700000000 ] - [ 0.0003648300000000, 0.0014751600000000, 0.0027432400000000 ] - [ 0.0008590900000000, 0.0001610300000000, 0.0009862200000000 ] - [ 0.0001586500000000, -0.0038213800000000, -0.0021191100000000 ] - [ -0.0075343100000000, -0.0018149000000000, 0.0088134500000000 ] - [ -0.0008889300000000, -0.0011024700000000, 0.0006475200000000 ] - [ -0.0013506900000000, 0.0004980800000000, -0.0023047800000000 ] - [ 0.0006108800000000, 0.0025757800000000, 0.0006375200000000 ] - [ 0.0024164800000000, -0.0012605200000000, -0.0000513500000000 ] - [ 0.0004849200000000, 0.0023935000000000, -0.0005293100000000 ] - [ 0.0019240400000000, -0.0010009700000000, 0.0004334300000000 ] - [ 0.0030583200000000, 0.0003056700000000, 0.0001115300000000 ] - [ 0.0001508200000000, -0.0011303300000000, 0.0022199700000000 ] - [ 0.0021520700000000, 0.0002549800000000, 0.0042807100000000 ] - [ 0.0003241900000000, -0.0003254000000000, -0.0001671800000000 ] - [ -0.0006340100000000, 0.0024515000000000, 0.0001790800000000 ] - [ -0.0015799700000000, -0.0019721900000000, -0.0017356900000000 ] - [ -0.0009872500000000, 0.0010535500000000, -0.0021591300000000 ] - [ -0.0012309000000000, -0.0011056300000000, -0.0009263300000000 ] - [ -0.0009332700000000, -0.0015051500000000, 0.0005482700000000 ] - [ -0.0018777900000000, 0.0005430600000000, -0.0006941400000000 ] - [ -0.0014608200000000, -0.0008044900000000, -0.0006113700000000 ] - [ -0.0014151800000000, -0.0001669600000000, 0.0007356700000000 ] - [ 0.0024866400000000, 0.0016072800000000, -0.0010689400000000 ] - [ 0.0010573400000000, -0.0010567000000000, -0.0000573000000000 ] - [ 0.0009628500000000, 0.0011977800000000, 0.0010827000000000 ] - [ 0.0010209100000000, -0.0007136900000000, -0.0002574100000000 ] - [ -0.0073636100000000, -0.0009163100000000, -0.0000959800000000 ] - [ -0.0001738400000000, -0.0031482100000000, -0.0025279500000000 ] - [ -0.0006796300000000, -0.0002484100000000, -0.0019751900000000 ] - [ -0.0006280300000000, -0.0013537700000000, -0.0016944500000000 ] - [ 0.0032731000000000, 0.0027275400000000, -0.0006033500000000 ] - [ -0.0007968400000000, -0.0018959800000000, -0.0014141200000000 ] - [ -0.0013246300000000, 0.0012359100000000, -0.0012082500000000 ] - [ -0.0010036800000000, -0.0008245400000000, -0.0013392600000000 ] - [ -0.0011171700000000, -0.0005319500000000, -0.0012866600000000 ] - [ -0.0010835700000000, -0.0010068200000000, 0.0001374800000000 ] - [ -0.0013395200000000, 0.0003316000000000, -0.0000931900000000 ] - [ -0.0018122800000000, 0.0000652600000000, -0.0002351900000000 ] - [ -0.0007065900000000, 0.0008888800000000, 0.0002355500000000 ] - [ 0.0010187200000000, 0.0009453400000000, -0.0007054300000000 ] - [ -0.0012949900000000, 0.0008576300000000, -0.0013057700000000 ] - [ 0.0004806700000000, 0.0008276700000000, 0.0006515200000000 ] - [ -0.0005308400000000, 0.0017500400000000, -0.0012585700000000 ] - [ 0.0013489900000000, -0.0021691200000000, 0.0007306900000000 ] - [ 0.0009988900000000, 0.0001721800000000, 0.0004501500000000 ] - [ 0.0010364300000000, -0.0006417000000000, -0.0002047800000000 ] - [ 0.0017034900000000, 0.0022344300000000, 0.0023263200000000 ] - [ -0.0007779100000000, -0.0005996600000000, -0.0018941000000000 ] - [ -0.0005043900000000, 0.0020924300000000, -0.0022828200000000 ] - [ -0.0005642900000000, -0.0002263300000000, -0.0016846600000000 ] - [ -0.0015663100000000, -0.0033291900000000, -0.0003136700000000 ] - [ 0.0069422200000000, -0.0059485500000000, 0.0009056100000000 ] - [ -0.0001422300000000, -0.0015338000000000, -0.0002465800000000 ] - [ 0.0001951500000000, -0.0011501800000000, -0.0001179800000000 ]- atom: 49 displacement: [ -0.0019782548681478, 0.0000000000000000, 0.0098023725534510 ] forces: - [ 0.0003871800000000, -0.0035764200000000, -0.0055380500000000 ] - [ -0.0012139000000000, 0.0012107500000000, -0.0030571500000000 ] - [ -0.0005096800000000, 0.0015050600000000, -0.0046730600000000 ] - [ -0.0009095800000000, -0.0039410400000000, -0.0036444900000000 ] - [ -0.0011706000000000, 0.0004004000000000, 0.0014288300000000 ] - [ -0.0031449700000000, 0.0010718400000000, 0.0087527200000000 ] - [ -0.0008571000000000, 0.0011149300000000, -0.0035231600000000 ] - [ -0.0004087100000000, 0.0011609000000000, -0.0047045100000000 ] - [ -0.0000451800000000, -0.0003747500000000, -0.0002540800000000 ] - [ 0.0014032400000000, -0.0008445800000000, -0.0004089800000000 ] - [ 0.0018496500000000, -0.0006984800000000, -0.0020223100000000 ] - [ 0.0017393900000000, -0.0000450400000000, -0.0020435200000000 ] - [ -0.0023169000000000, 0.0000276200000000, 0.0029610400000000 ] - [ -0.0017258300000000, -0.0002554200000000, 0.0016058200000000 ] - [ -0.0017299800000000, -0.0003044600000000, -0.0005054000000000 ] - [ -0.0016879800000000, -0.0003581700000000, 0.0005759300000000 ] - [ 0.0022515600000000, -0.0000029300000000, -0.0002591500000000 ] - [ 0.0037336200000000, 0.0008301100000000, 0.0009436500000000 ] - [ 0.0015337000000000, 0.0007131000000000, -0.0018711300000000 ] - [ 0.0009774900000000, -0.0001541800000000, -0.0026465500000000 ] - [ -0.0010552100000000, -0.0000503200000000, 0.0021527400000000 ] - [ -0.0014851000000000, 0.0006802300000000, 0.0016845400000000 ] - [ -0.0023129400000000, 0.0007873200000000, -0.0002165300000000 ] - [ -0.0018655000000000, 0.0001047300000000, 0.0006280100000000 ] - [ -0.0011617700000000, -0.0014710400000000, 0.0099182300000000 ] - [ 0.0009196400000000, -0.0010956900000000, 0.0030791300000000 ] - [ 0.0011833300000000, -0.0009814600000000, 0.0007502800000000 ] - [ 0.0010409000000000, -0.0010609900000000, 0.0018847000000000 ] - [ 0.0039452000000000, 0.0016608800000000, 0.0010151000000000 ] - [ 0.0012725300000000, 0.0007186800000000, 0.0025900700000000 ] - [ -0.0015034100000000, -0.0004430700000000, -0.0001484900000000 ] - [ 0.0007917600000000, 0.0014090700000000, 0.0024089400000000 ] - [ 0.0025293400000000, 0.0024681100000000, -0.0062914300000000 ] - [ -0.0007383000000000, 0.0006544900000000, -0.0013157500000000 ] - [ -0.0030580900000000, -0.0000087700000000, -0.0090250400000000 ] - [ -0.0011734700000000, 0.0010375700000000, -0.0012020400000000 ] - [ -0.0103068400000000, 0.0086262200000000, 0.0173728000000000 ] - [ -0.0008772300000000, -0.0011155500000000, -0.0004261600000000 ] - [ -0.0008096100000000, -0.0009279400000000, -0.0028453000000000 ] - [ -0.0009769100000000, -0.0010652400000000, -0.0018178800000000 ] - [ 0.0003903300000000, 0.0019010600000000, 0.0045864000000000 ] - [ 0.0011463200000000, 0.0008788700000000, 0.0014919200000000 ] - [ 0.0008067700000000, 0.0008792800000000, -0.0000946400000000 ] - [ 0.0008314900000000, 0.0009892500000000, 0.0003901800000000 ] - [ 0.0011635900000000, -0.0002935900000000, 0.0009930400000000 ] - [ 0.0018145100000000, -0.0013980900000000, 0.0005447900000000 ] - [ 0.0005151700000000, -0.0017011300000000, 0.0008664900000000 ] - [ 0.0006416200000000, 0.0007870400000000, -0.0008711300000000 ] - [ 0.0185651400000000, -0.0128573900000000, -0.0344998500000000 ] - [ 0.0000506200000000, 0.0014805000000000, -0.0000040200000000 ] - [ -0.0001625000000000, 0.0013174100000000, 0.0010538600000000 ] - [ -0.0000320200000000, 0.0013645000000000, 0.0004595200000000 ] - [ 0.0005768100000000, -0.0016002800000000, 0.0013889600000000 ] - [ 0.0013156300000000, 0.0105069800000000, 0.0105862700000000 ] - [ 0.0004957800000000, -0.0003862800000000, 0.0024642100000000 ] - [ 0.0004091400000000, -0.0017228300000000, 0.0036696700000000 ] - [ 0.0020957600000000, -0.0050993600000000, -0.0012304300000000 ] - [ -0.0009017500000000, 0.0000714400000000, -0.0012621600000000 ] - [ -0.0014785300000000, 0.0002268200000000, 0.0013067700000000 ] - [ -0.0011268900000000, -0.0000789600000000, 0.0008092000000000 ] - [ -0.0007037500000000, -0.0003582400000000, 0.0038724400000000 ] - [ 0.0000824000000000, -0.0014862800000000, 0.0001787700000000 ] - [ -0.0009574500000000, -0.0027187700000000, 0.0037658000000000 ] - [ -0.0001235100000000, -0.0008335000000000, 0.0001418000000000 ] - [ 0.0003524400000000, 0.0006032200000000, -0.0049968100000000 ] - [ 0.0017042600000000, -0.0001793500000000, -0.0001357300000000 ] - [ 0.0016073500000000, -0.0002467700000000, 0.0009812200000000 ] - [ 0.0016399600000000, -0.0002638900000000, 0.0005921600000000 ] - [ 0.0013313900000000, -0.0005720200000000, 0.0004363300000000 ] - [ 0.0016825900000000, 0.0002826200000000, -0.0004732400000000 ] - [ 0.0011534300000000, -0.0000245400000000, 0.0018684200000000 ] - [ 0.0012328600000000, -0.0002157200000000, 0.0023758100000000 ] - [ -0.0013161800000000, 0.0095993100000000, 0.0004976300000000 ] - [ 0.0008403900000000, 0.0012410900000000, 0.0004979800000000 ] - [ 0.0005832800000000, 0.0005276100000000, 0.0032980400000000 ] - [ 0.0004473300000000, 0.0010246500000000, 0.0029236500000000 ] - [ -0.0014072300000000, 0.0009413200000000, 0.0000503900000000 ] - [ -0.0057975900000000, -0.0070900800000000, 0.0040414600000000 ] - [ -0.0009762700000000, -0.0003921800000000, 0.0004961100000000 ] - [ -0.0008534200000000, 0.0006019800000000, 0.0022816900000000 ] - [ 0.0002985900000000, 0.0003170800000000, 0.0004778000000000 ] - [ 0.0013734300000000, 0.0002930300000000, 0.0002494000000000 ] - [ 0.0030455400000000, 0.0002287200000000, 0.0014710200000000 ] - [ 0.0018141000000000, 0.0002091300000000, 0.0002640600000000 ] - [ 0.0003908800000000, 0.0005152500000000, 0.0014078800000000 ] - [ 0.0005470200000000, -0.0007187700000000, 0.0014192800000000 ] - [ 0.0017920700000000, -0.0002276000000000, 0.0020622900000000 ] - [ 0.0017835100000000, 0.0006478200000000, 0.0015979800000000 ] - [ -0.0017209000000000, -0.0001846400000000, -0.0016702700000000 ] - [ -0.0012207200000000, -0.0000479900000000, -0.0014637500000000 ] - [ -0.0007497700000000, 0.0001163500000000, -0.0008953400000000 ] - [ -0.0012080600000000, -0.0002870400000000, -0.0012313500000000 ] - [ -0.0017449000000000, -0.0004817900000000, -0.0002379000000000 ] - [ -0.0018475000000000, -0.0000310200000000, -0.0003463800000000 ] - [ -0.0015631600000000, -0.0000249700000000, -0.0001199100000000 ] - [ -0.0010124200000000, -0.0007663100000000, 0.0005046300000000 ] - [ -0.0002133000000000, 0.0004210300000000, -0.0006942400000000 ] - [ 0.0009908800000000, 0.0000308600000000, -0.0003532000000000 ] - [ 0.0011011200000000, 0.0002812000000000, 0.0013662300000000 ] - [ 0.0010281500000000, 0.0003326400000000, 0.0002643100000000 ] - [ -0.0045259300000000, -0.0041660700000000, -0.0034541300000000 ] - [ -0.0006650000000000, -0.0007865900000000, -0.0022663300000000 ] - [ -0.0005440200000000, -0.0005265500000000, -0.0006606900000000 ] - [ -0.0006102100000000, -0.0007982500000000, -0.0014229500000000 ] - [ -0.0025958100000000, 0.0003573200000000, -0.0023690000000000 ] - [ -0.0012252600000000, 0.0001324900000000, -0.0017786000000000 ] - [ -0.0010393900000000, 0.0001451300000000, -0.0002840100000000 ] - [ -0.0011501600000000, 0.0001356600000000, -0.0009471400000000 ] - [ -0.0020831300000000, 0.0001190800000000, -0.0013698900000000 ] - [ -0.0017381600000000, 0.0000858600000000, -0.0007618600000000 ] - [ -0.0015926700000000, 0.0001781000000000, 0.0003678600000000 ] - [ -0.0015587700000000, 0.0003358700000000, 0.0002663700000000 ] - [ -0.0003770000000000, 0.0006189100000000, -0.0000586000000000 ] - [ -0.0005795700000000, 0.0018735700000000, -0.0001026700000000 ] - [ 0.0005647200000000, 0.0020633300000000, 0.0001417000000000 ] - [ 0.0000430600000000, 0.0004985300000000, 0.0000404500000000 ] - [ 0.0024502200000000, 0.0006530200000000, -0.0013260200000000 ] - [ 0.0009828600000000, -0.0000907900000000, -0.0003919300000000 ] - [ 0.0008851200000000, -0.0004027400000000, 0.0008128000000000 ] - [ 0.0009752300000000, -0.0001790400000000, 0.0002688200000000 ] - [ 0.0032975400000000, -0.0013523800000000, 0.0012019500000000 ] - [ -0.0004890800000000, 0.0009556500000000, -0.0021152200000000 ] - [ -0.0011807800000000, 0.0009646300000000, -0.0011223600000000 ] - [ -0.0007233000000000, 0.0006411000000000, -0.0015941200000000 ] - [ 0.0005253600000000, -0.0015151800000000, -0.0008842200000000 ] - [ -0.0000638900000000, -0.0010293600000000, -0.0012339500000000 ] - [ -0.0000060300000000, -0.0012958200000000, 0.0001035200000000 ] - [ -0.0000135700000000, -0.0013506000000000, 0.0002123600000000 ]- atom: 49 displacement: [ 0.0019782548681478, 0.0000000000000000, -0.0098023725534510 ] forces: - [ -0.0023641500000000, 0.0014225800000000, 0.0005904100000000 ] - [ -0.0007665700000000, -0.0033298700000000, -0.0019000500000000 ] - [ -0.0014723600000000, -0.0036549400000000, -0.0002919900000000 ] - [ -0.0010670400000000, 0.0018135700000000, -0.0013200200000000 ] - [ -0.0008035900000000, 0.0017343800000000, -0.0063948100000000 ] - [ 0.0011711200000000, 0.0011061300000000, -0.0136993800000000 ] - [ -0.0011264700000000, 0.0010121100000000, -0.0014396100000000 ] - [ -0.0015672200000000, 0.0009699700000000, -0.0002573100000000 ] - [ 0.0034399300000000, -0.0003257600000000, -0.0020035000000000 ] - [ 0.0019898000000000, 0.0001310400000000, -0.0018284000000000 ] - [ 0.0015478600000000, -0.0000089000000000, -0.0002172200000000 ] - [ 0.0016542900000000, -0.0006657400000000, -0.0001900700000000 ] - [ -0.0010716000000000, -0.0007417500000000, -0.0007436800000000 ] - [ -0.0016678800000000, -0.0004532000000000, 0.0006336000000000 ] - [ -0.0016576900000000, -0.0004031500000000, 0.0027483700000000 ] - [ -0.0016993100000000, -0.0003503300000000, 0.0016680400000000 ] - [ 0.0011395000000000, 0.0007095300000000, -0.0019729400000000 ] - [ -0.0003327000000000, -0.0001302500000000, -0.0031651700000000 ] - [ 0.0018658500000000, -0.0000080700000000, -0.0003663300000000 ] - [ 0.0024157600000000, 0.0008671000000000, 0.0004066500000000 ] - [ -0.0023362700000000, 0.0007692200000000, 0.0001113700000000 ] - [ -0.0019048500000000, 0.0000284700000000, 0.0005570200000000 ] - [ -0.0010739100000000, -0.0000812600000000, 0.0024578900000000 ] - [ -0.0015262400000000, 0.0006073400000000, 0.0016067400000000 ] - [ 0.0030459700000000, -0.0006246100000000, -0.0049524600000000 ] - [ 0.0010570400000000, -0.0010335100000000, 0.0018848300000000 ] - [ 0.0007880100000000, -0.0011510900000000, 0.0042114400000000 ] - [ 0.0009380700000000, -0.0010556400000000, 0.0030798900000000 ] - [ -0.0019920600000000, 0.0004604800000000, 0.0039368200000000 ] - [ 0.0007078500000000, 0.0014146900000000, 0.0023635800000000 ] - [ 0.0034546400000000, 0.0025730400000000, 0.0051026900000000 ] - [ 0.0011805800000000, 0.0007211200000000, 0.0025598700000000 ] - [ -0.0042883400000000, -0.0005103600000000, 0.0043167300000000 ] - [ -0.0010523400000000, 0.0012730900000000, -0.0006221300000000 ] - [ 0.0012653100000000, 0.0019902500000000, 0.0071276200000000 ] - [ -0.0006190100000000, 0.0008900000000000, -0.0007423800000000 ] - [ 0.0091825900000000, -0.0114735500000000, -0.0194141900000000 ] - [ -0.0009177100000000, -0.0008238900000000, -0.0015174700000000 ] - [ -0.0009814600000000, -0.0010023500000000, 0.0009045200000000 ] - [ -0.0008205100000000, -0.0008690800000000, -0.0001231900000000 ] - [ 0.0014048700000000, 0.0000314900000000, -0.0026446400000000 ] - [ 0.0006556100000000, 0.0010470100000000, 0.0004518400000000 ] - [ 0.0009856900000000, 0.0010519600000000, 0.0020381900000000 ] - [ 0.0009534300000000, 0.0009428000000000, 0.0015498400000000 ] - [ 0.0006255100000000, -0.0016433200000000, 0.0009434700000000 ] - [ -0.0000209400000000, -0.0005338300000000, 0.0013890600000000 ] - [ 0.0012764300000000, -0.0002320600000000, 0.0010752100000000 ] - [ 0.0011565600000000, -0.0027292300000000, 0.0028223400000000 ] - [ -0.0191159100000000, 0.0163031100000000, 0.0349995100000000 ] - [ -0.0000895900000000, 0.0011744100000000, 0.0004165500000000 ] - [ 0.0001834600000000, 0.0012299800000000, -0.0006496700000000 ] - [ -0.0000048300000000, 0.0012870900000000, -0.0000618000000000 ] - [ 0.0006523200000000, 0.0000285700000000, 0.0023114800000000 ] - [ -0.0000509100000000, -0.0122919900000000, -0.0068891100000000 ] - [ 0.0007343900000000, -0.0011787800000000, 0.0012380100000000 ] - [ 0.0008222700000000, 0.0001458800000000, 0.0000265900000000 ] - [ -0.0041216800000000, 0.0055033400000000, 0.0012932200000000 ] - [ -0.0011048300000000, 0.0002690700000000, 0.0013816800000000 ] - [ -0.0005240500000000, 0.0001746500000000, -0.0012794400000000 ] - [ -0.0008784200000000, 0.0004046700000000, -0.0007140500000000 ] - [ 0.0006733000000000, -0.0022573600000000, -0.0034169000000000 ] - [ -0.0001099300000000, -0.0011445600000000, 0.0002178400000000 ] - [ 0.0009924000000000, 0.0001750600000000, -0.0034025000000000 ] - [ 0.0000954100000000, -0.0017986700000000, 0.0002671400000000 ] - [ 0.0029152800000000, -0.0010911000000000, 0.0054079300000000 ] - [ 0.0016018700000000, -0.0002869300000000, 0.0005541700000000 ] - [ 0.0016050400000000, -0.0002363500000000, -0.0005767500000000 ] - [ 0.0016716700000000, -0.0002071200000000, -0.0001736100000000 ] - [ 0.0010581100000000, 0.0002720500000000, 0.0022775000000000 ] - [ 0.0007202800000000, -0.0005803300000000, 0.0031956700000000 ] - [ 0.0012427700000000, -0.0002719700000000, 0.0008414400000000 ] - [ 0.0011661400000000, -0.0000806800000000, 0.0003337600000000 ] - [ 0.0025568900000000, -0.0079273500000000, 0.0032319400000000 ] - [ 0.0003947000000000, 0.0003281500000000, 0.0031749500000000 ] - [ 0.0006692700000000, 0.0011214200000000, 0.0004672600000000 ] - [ 0.0007862900000000, 0.0005280400000000, 0.0007600000000000 ] - [ -0.0005996500000000, -0.0012857500000000, 0.0000288200000000 ] - [ 0.0037482400000000, 0.0066753000000000, -0.0039165700000000 ] - [ -0.0010317200000000, 0.0000571000000000, -0.0004050100000000 ] - [ -0.0011426800000000, -0.0009972700000000, -0.0022478500000000 ] - [ 0.0029857000000000, 0.0001491200000000, -0.0000660400000000 ] - [ 0.0019229200000000, 0.0001835600000000, 0.0001661100000000 ] - [ 0.0001641100000000, 0.0002522600000000, -0.0010646200000000 ] - [ 0.0014824000000000, 0.0002583500000000, 0.0001562200000000 ] - [ 0.0019953600000000, -0.0002138000000000, 0.0013005200000000 ] - [ 0.0018457400000000, 0.0010132000000000, 0.0012910200000000 ] - [ 0.0006005700000000, 0.0005343300000000, 0.0006566400000000 ] - [ 0.0006094100000000, -0.0003562500000000, 0.0011219900000000 ] - [ -0.0006688800000000, -0.0001163700000000, -0.0010334600000000 ] - [ -0.0011722100000000, -0.0002478200000000, -0.0012435500000000 ] - [ -0.0016425700000000, -0.0004120700000000, -0.0018251100000000 ] - [ -0.0011874800000000, -0.0000115000000000, -0.0014883800000000 ] - [ -0.0015123300000000, 0.0000018500000000, -0.0001716300000000 ] - [ -0.0014453200000000, -0.0004406300000000, -0.0000619700000000 ] - [ -0.0016933200000000, -0.0004547500000000, -0.0002938100000000 ] - [ -0.0022414100000000, 0.0002836800000000, -0.0009210400000000 ] - [ 0.0022166400000000, -0.0000824900000000, 0.0006225100000000 ] - [ 0.0010155100000000, 0.0003406500000000, 0.0003063900000000 ] - [ 0.0009083900000000, 0.0000852200000000, -0.0014337200000000 ] - [ 0.0009761300000000, 0.0000374000000000, -0.0003226200000000 ] - [ 0.0032993200000000, 0.0025922000000000, -0.0002319800000000 ] - [ -0.0005873500000000, -0.0008285000000000, -0.0014756100000000 ] - [ -0.0006933600000000, -0.0010819000000000, -0.0030801000000000 ] - [ -0.0006287800000000, -0.0007624900000000, -0.0022670600000000 ] - [ 0.0001549000000000, -0.0000545000000000, -0.0003604400000000 ] - [ -0.0011749800000000, 0.0001638700000000, -0.0009329100000000 ] - [ -0.0013520100000000, 0.0001557700000000, -0.0024314300000000 ] - [ -0.0012478500000000, 0.0001609900000000, -0.0017694800000000 ] - [ -0.0011922600000000, 0.0003499300000000, 0.0009525900000000 ] - [ -0.0015069500000000, 0.0003970200000000, 0.0003464900000000 ] - [ -0.0016523800000000, 0.0003028400000000, -0.0007783500000000 ] - [ -0.0017289800000000, 0.0001308100000000, -0.0006843400000000 ] - [ 0.0003809800000000, 0.0019744300000000, -0.0003476300000000 ] - [ 0.0006085100000000, 0.0007561300000000, -0.0003007400000000 ] - [ -0.0005605000000000, 0.0005212300000000, -0.0005563800000000 ] - [ -0.0000328900000000, 0.0021036500000000, -0.0004452700000000 ] - [ -0.0004449600000000, -0.0010053500000000, 0.0012384800000000 ] - [ 0.0010165000000000, -0.0002883400000000, 0.0003505800000000 ] - [ 0.0011217800000000, 0.0000306400000000, -0.0008653900000000 ] - [ 0.0010259000000000, -0.0001557900000000, -0.0003648100000000 ] - [ -0.0045140200000000, 0.0029356800000000, -0.0049402300000000 ] - [ -0.0007574000000000, 0.0006640000000000, -0.0016304200000000 ] - [ -0.0000476500000000, 0.0006086600000000, -0.0025688600000000 ] - [ -0.0005185300000000, 0.0009673400000000, -0.0021481000000000 ] - [ -0.0005055600000000, -0.0011005000000000, 0.0004832400000000 ] - [ 0.0000510700000000, -0.0015426100000000, 0.0008260200000000 ] - [ 0.0000003800000000, -0.0012847200000000, -0.0005158400000000 ] - [ 0.0000397100000000, -0.0012877400000000, -0.0006207800000000 ]- atom: 53 displacement: [ 0.0099846139444728, 0.0000000000000000, 0.0005545127409173 ] forces: - [ -0.0007695600000000, -0.0012704600000000, -0.0018382200000000 ] - [ -0.0008933200000000, -0.0010106200000000, -0.0025720200000000 ] - [ 0.0086050600000000, 0.0004283200000000, -0.0007989400000000 ] - [ -0.0000530800000000, -0.0020712000000000, -0.0024756200000000 ] - [ 0.0090584200000000, 0.0021607400000000, -0.0135271500000000 ] - [ -0.0008186100000000, 0.0007502900000000, -0.0025623900000000 ] - [ -0.0001644000000000, 0.0007734700000000, -0.0024109700000000 ] - [ -0.0009257900000000, 0.0010477200000000, -0.0022848600000000 ] - [ -0.0024902400000000, -0.0039949100000000, -0.0018525100000000 ] - [ 0.0015821900000000, 0.0002997800000000, -0.0007727200000000 ] - [ 0.0015605200000000, -0.0005761100000000, -0.0011334400000000 ] - [ 0.0017525700000000, -0.0001957200000000, -0.0012687600000000 ] - [ -0.0021218700000000, -0.0005851300000000, 0.0009167300000000 ] - [ -0.0083285400000000, 0.0014939300000000, 0.0014333600000000 ] - [ -0.0017393300000000, -0.0003587200000000, 0.0010880100000000 ] - [ -0.0018467600000000, -0.0002849800000000, 0.0007144900000000 ] - [ 0.0002019100000000, 0.0002960100000000, 0.0005174500000000 ] - [ 0.0015931000000000, 0.0003087600000000, -0.0012042600000000 ] - [ -0.0000354500000000, -0.0016770000000000, -0.0045119300000000 ] - [ 0.0017723900000000, 0.0005999700000000, -0.0010805600000000 ] - [ -0.0022861900000000, 0.0001949400000000, 0.0010408600000000 ] - [ -0.0020467200000000, 0.0006052700000000, 0.0010219200000000 ] - [ -0.0024780200000000, -0.0003316200000000, 0.0006840500000000 ] - [ -0.0036905200000000, 0.0032931100000000, -0.0009403200000000 ] - [ 0.0013455900000000, -0.0007171500000000, 0.0021838900000000 ] - [ -0.0005943800000000, -0.0037870600000000, -0.0027456900000000 ] - [ 0.0008511700000000, -0.0008750500000000, 0.0027785200000000 ] - [ 0.0000369200000000, -0.0015021600000000, 0.0040113000000000 ] - [ -0.0000015900000000, 0.0040187300000000, 0.0025468100000000 ] - [ -0.0015179400000000, -0.0022164500000000, 0.0029955600000000 ] - [ 0.0011676000000000, 0.0011020800000000, 0.0023463100000000 ] - [ 0.0010509600000000, 0.0010055400000000, 0.0022688300000000 ] - [ -0.0009149100000000, 0.0007881300000000, -0.0009096400000000 ] - [ -0.0006715300000000, 0.0015358000000000, -0.0004871900000000 ] - [ -0.0004107400000000, 0.0011235400000000, -0.0010201500000000 ] - [ 0.0300874700000000, -0.0324143200000000, 0.0337628900000000 ] - [ -0.0009123000000000, -0.0019556000000000, -0.0000744700000000 ] - [ 0.0000037600000000, -0.0007836800000000, -0.0002946000000000 ] - [ -0.0006564500000000, -0.0009614800000000, -0.0005605500000000 ] - [ -0.0003639800000000, -0.0006908500000000, -0.0006311000000000 ] - [ -0.0011569700000000, 0.0032237300000000, 0.0000321700000000 ] - [ 0.0006270300000000, 0.0005301800000000, 0.0004613100000000 ] - [ 0.0001631700000000, 0.0009946900000000, 0.0016256400000000 ] - [ 0.0004440200000000, 0.0009372000000000, 0.0010162500000000 ] - [ -0.0099070500000000, -0.0013721900000000, 0.0031517100000000 ] - [ 0.0004861100000000, -0.0009005200000000, 0.0009489900000000 ] - [ 0.0006515200000000, -0.0008657700000000, 0.0004233200000000 ] - [ 0.0008194100000000, -0.0009343900000000, 0.0008876000000000 ] - [ -0.0005029300000000, 0.0020439000000000, 0.0000371500000000 ] - [ -0.0042375900000000, 0.0021737700000000, 0.0005307900000000 ] - [ -0.0000704700000000, 0.0013204400000000, 0.0000972800000000 ] - [ -0.0003700800000000, 0.0011560800000000, 0.0000167200000000 ] - [ -0.0425159200000000, 0.0327304900000000, -0.0273267600000000 ] - [ 0.0004929900000000, -0.0006229800000000, 0.0021007700000000 ] - [ 0.0005114900000000, -0.0009164100000000, 0.0017592100000000 ] - [ 0.0006128800000000, -0.0007563200000000, 0.0017904300000000 ] - [ -0.0025491700000000, 0.0050296800000000, -0.0020533000000000 ] - [ -0.0014550600000000, 0.0001474600000000, 0.0001583100000000 ] - [ -0.0010107400000000, 0.0003836600000000, -0.0001781000000000 ] - [ -0.0011222500000000, 0.0000879500000000, -0.0000180000000000 ] - [ -0.0000721700000000, -0.0011106700000000, 0.0000690700000000 ] - [ -0.0001975100000000, -0.0015252200000000, 0.0002029400000000 ] - [ 0.0000252700000000, -0.0017994800000000, 0.0003501200000000 ] - [ -0.0032831300000000, 0.0042176400000000, -0.0024960600000000 ] - [ 0.0021885000000000, 0.0001646500000000, 0.0001224600000000 ] - [ 0.0014572200000000, -0.0006384800000000, -0.0001878000000000 ] - [ 0.0015291400000000, -0.0001698800000000, 0.0001926100000000 ] - [ 0.0013656900000000, -0.0004328500000000, 0.0005301900000000 ] - [ 0.0077285200000000, 0.0008995200000000, -0.0038752700000000 ] - [ 0.0011916700000000, -0.0001489900000000, 0.0013467000000000 ] - [ 0.0010808200000000, -0.0000490100000000, 0.0016251500000000 ] - [ 0.0011004400000000, -0.0001916800000000, 0.0013261900000000 ] - [ 0.0006520100000000, 0.0021513000000000, 0.0012956400000000 ] - [ 0.0004998900000000, 0.0010301500000000, 0.0019349900000000 ] - [ 0.0006601500000000, 0.0009128300000000, 0.0011731300000000 ] - [ 0.0005345500000000, 0.0009276100000000, 0.0013729900000000 ] - [ -0.0006016400000000, -0.0005446200000000, -0.0008300200000000 ] - [ -0.0010066500000000, -0.0000890300000000, 0.0000492700000000 ] - [ -0.0091707100000000, 0.0003399300000000, 0.0052106100000000 ] - [ -0.0011865400000000, -0.0001077900000000, -0.0001109700000000 ] - [ 0.0016614600000000, 0.0002919400000000, 0.0002114100000000 ] - [ 0.0017618700000000, -0.0000661300000000, 0.0001015700000000 ] - [ 0.0014601100000000, 0.0003688500000000, 0.0001800700000000 ] - [ 0.0085454100000000, -0.0077901500000000, 0.0096776700000000 ] - [ 0.0013330200000000, 0.0004909800000000, 0.0011849200000000 ] - [ 0.0011817000000000, 0.0000891700000000, 0.0013986300000000 ] - [ 0.0011907400000000, 0.0028996300000000, 0.0032717700000000 ] - [ 0.0007268600000000, -0.0006528700000000, 0.0011309800000000 ] - [ -0.0000526100000000, 0.0002391400000000, -0.0010067800000000 ] - [ 0.0007807900000000, -0.0007873000000000, -0.0016970100000000 ] - [ -0.0010447500000000, -0.0000585100000000, -0.0012721200000000 ] - [ -0.0010456900000000, -0.0002395600000000, -0.0012254800000000 ] - [ 0.0016263200000000, -0.0001029800000000, 0.0002629400000000 ] - [ -0.0013362300000000, -0.0003442900000000, -0.0001797600000000 ] - [ -0.0012127000000000, -0.0002075000000000, -0.0002776300000000 ] - [ -0.0015828100000000, -0.0002722200000000, -0.0001556000000000 ] - [ 0.0012721100000000, -0.0001172500000000, 0.0001744100000000 ] - [ 0.0069389600000000, 0.0017401200000000, 0.0009709700000000 ] - [ 0.0010761300000000, 0.0001386000000000, -0.0000485100000000 ] - [ 0.0013089200000000, 0.0001143400000000, 0.0000136500000000 ] - [ -0.0004817600000000, -0.0016531800000000, -0.0012302900000000 ] - [ -0.0004872300000000, -0.0000030600000000, -0.0013459000000000 ] - [ -0.0005574200000000, -0.0008237800000000, -0.0020140500000000 ] - [ -0.0005684300000000, -0.0006623500000000, -0.0018905800000000 ] - [ -0.0009728300000000, 0.0001882400000000, -0.0012789400000000 ] - [ 0.0002161600000000, -0.0003099600000000, -0.0011296200000000 ] - [ -0.0010159500000000, 0.0002473000000000, -0.0012218600000000 ] - [ -0.0000242900000000, 0.0001642400000000, -0.0003199600000000 ] - [ -0.0000221300000000, 0.0005282100000000, -0.0000590500000000 ] - [ -0.0013510100000000, 0.0002764500000000, -0.0001093700000000 ] - [ -0.0009893000000000, 0.0005528700000000, 0.0000406200000000 ] - [ -0.0013600000000000, -0.0001915200000000, 0.0001845300000000 ] - [ 0.0072894500000000, -0.0053640100000000, -0.0028368200000000 ] - [ 0.0001424100000000, 0.0017067900000000, -0.0002349200000000 ] - [ -0.0001745500000000, 0.0012622700000000, -0.0000989800000000 ] - [ -0.0000144400000000, 0.0013159100000000, -0.0001733200000000 ] - [ 0.0013472200000000, -0.0007168400000000, 0.0004143300000000 ] - [ 0.0011806700000000, -0.0000127100000000, 0.0003531600000000 ] - [ 0.0017460700000000, -0.0005908400000000, -0.0007008500000000 ] - [ 0.0020027400000000, 0.0002105700000000, -0.0003434300000000 ] - [ -0.0007019900000000, 0.0007467700000000, -0.0017565800000000 ] - [ -0.0007673700000000, 0.0008648200000000, -0.0011684500000000 ] - [ -0.0004838700000000, 0.0004732100000000, -0.0021859600000000 ] - [ 0.0016961800000000, 0.0020796800000000, -0.0038523200000000 ] - [ 0.0013922600000000, -0.0038907700000000, 0.0042460700000000 ] - [ -0.0001004100000000, -0.0011569700000000, -0.0001111700000000 ] - [ 0.0000232300000000, -0.0013870700000000, -0.0007336100000000 ] - [ 0.0001037100000000, -0.0013807000000000, -0.0002750900000000 ]- atom: 53 displacement: [ -0.0099846139444728, 0.0000000000000000, -0.0005545127409173 ] forces: - [ -0.0012035900000000, -0.0008647000000000, -0.0031141600000000 ] - [ -0.0010826500000000, -0.0011117600000000, -0.0023886900000000 ] - [ -0.0105640600000000, -0.0024432200000000, -0.0040594400000000 ] - [ -0.0019303400000000, -0.0000435000000000, -0.0024824300000000 ] - [ -0.0109091000000000, -0.0000023200000000, 0.0085060800000000 ] - [ -0.0011567400000000, 0.0013699000000000, -0.0023883000000000 ] - [ -0.0017848700000000, 0.0013577200000000, -0.0025795900000000 ] - [ -0.0010435800000000, 0.0010770800000000, -0.0026800200000000 ] - [ 0.0058855000000000, 0.0033298100000000, -0.0003951400000000 ] - [ 0.0018077200000000, -0.0010171100000000, -0.0014659000000000 ] - [ 0.0018233500000000, -0.0001304100000000, -0.0011175900000000 ] - [ 0.0016375300000000, -0.0005166700000000, -0.0009725000000000 ] - [ -0.0012715100000000, -0.0001234800000000, 0.0013255100000000 ] - [ 0.0049543500000000, -0.0022300300000000, 0.0007871400000000 ] - [ -0.0016490800000000, -0.0003525300000000, 0.0011525000000000 ] - [ -0.0015498800000000, -0.0004202800000000, 0.0015244200000000 ] - [ 0.0031796400000000, 0.0004122200000000, -0.0027779300000000 ] - [ 0.0017995100000000, 0.0003966900000000, -0.0010386200000000 ] - [ 0.0033930600000000, 0.0023951100000000, 0.0023042600000000 ] - [ 0.0016154500000000, 0.0001037200000000, -0.0011568800000000 ] - [ -0.0011126400000000, 0.0005257000000000, 0.0011929000000000 ] - [ -0.0013420000000000, 0.0000992900000000, 0.0012145100000000 ] - [ -0.0009207900000000, 0.0010504900000000, 0.0015568900000000 ] - [ 0.0002975200000000, -0.0025994900000000, 0.0031970300000000 ] - [ 0.0006342900000000, -0.0014082900000000, 0.0027811900000000 ] - [ 0.0025767400000000, 0.0016382500000000, 0.0076618700000000 ] - [ 0.0011234100000000, -0.0012508300000000, 0.0021840100000000 ] - [ 0.0019425200000000, -0.0006248900000000, 0.0009632100000000 ] - [ 0.0019828700000000, -0.0018667600000000, 0.0024167600000000 ] - [ 0.0035154100000000, 0.0043149200000000, 0.0019761300000000 ] - [ 0.0008083200000000, 0.0010311100000000, 0.0026093400000000 ] - [ 0.0009209300000000, 0.0011250500000000, 0.0026945600000000 ] - [ -0.0008649500000000, 0.0011377800000000, -0.0010295100000000 ] - [ -0.0011171100000000, 0.0004153000000000, -0.0014441400000000 ] - [ -0.0013809400000000, 0.0008072700000000, -0.0009205000000000 ] - [ -0.0313388200000000, 0.0342661500000000, -0.0355108300000000 ] - [ -0.0008719600000000, 0.0000192700000000, -0.0018554800000000 ] - [ -0.0018083100000000, -0.0011369100000000, -0.0016502300000000 ] - [ -0.0011325700000000, -0.0009855700000000, -0.0013859400000000 ] - [ -0.0014267700000000, -0.0012407700000000, -0.0013097400000000 ] - [ 0.0029480200000000, -0.0012938400000000, 0.0019013000000000 ] - [ 0.0011546600000000, 0.0013954500000000, 0.0014749100000000 ] - [ 0.0016255800000000, 0.0009346900000000, 0.0003178500000000 ] - [ 0.0013436500000000, 0.0009962500000000, 0.0009298000000000 ] - [ 0.0116101000000000, -0.0005403600000000, -0.0011835900000000 ] - [ 0.0012948900000000, -0.0010421900000000, 0.0009900800000000 ] - [ 0.0011334800000000, -0.0010684400000000, 0.0015150100000000 ] - [ 0.0009616200000000, -0.0009935000000000, 0.0010505600000000 ] - [ 0.0004807100000000, 0.0005850400000000, 0.0003751400000000 ] - [ 0.0042247700000000, 0.0004059700000000, -0.0001485900000000 ] - [ 0.0000786700000000, 0.0012500000000000, 0.0003126800000000 ] - [ 0.0003768600000000, 0.0014223300000000, 0.0003863600000000 ] - [ 0.0431205800000000, -0.0344187200000000, 0.0308996600000000 ] - [ 0.0007431100000000, -0.0009319000000000, 0.0015923500000000 ] - [ 0.0007445200000000, -0.0007137600000000, 0.0020071900000000 ] - [ 0.0006270500000000, -0.0008314100000000, 0.0019142200000000 ] - [ 0.0005753100000000, -0.0046764200000000, 0.0021335400000000 ] - [ -0.0005415900000000, 0.0001961700000000, -0.0000675500000000 ] - [ -0.0009883600000000, -0.0000018100000000, 0.0002322200000000 ] - [ -0.0008834300000000, 0.0002829000000000, 0.0000747700000000 ] - [ 0.0000674300000000, -0.0014899300000000, 0.0003351800000000 ] - [ 0.0002163700000000, -0.0010361400000000, 0.0002014100000000 ] - [ -0.0000707400000000, -0.0008216400000000, 0.0000554800000000 ] - [ 0.0032797500000000, -0.0067878200000000, 0.0029122600000000 ] - [ 0.0011087400000000, -0.0006337300000000, 0.0003010000000000 ] - [ 0.0018269300000000, 0.0001837900000000, 0.0006162800000000 ] - [ 0.0017132700000000, -0.0003065700000000, 0.0002229200000000 ] - [ 0.0018865900000000, -0.0000389500000000, -0.0001252000000000 ] - [ -0.0054023100000000, -0.0012227800000000, 0.0066840700000000 ] - [ 0.0011998900000000, -0.0001535000000000, 0.0013685600000000 ] - [ 0.0013272000000000, -0.0002438700000000, 0.0010978800000000 ] - [ 0.0012956200000000, -0.0001079400000000, 0.0013848800000000 ] - [ 0.0005871600000000, -0.0005588800000000, 0.0024013500000000 ] - [ 0.0007385900000000, 0.0005322600000000, 0.0017655500000000 ] - [ 0.0005843300000000, 0.0007123800000000, 0.0026030300000000 ] - [ 0.0007113900000000, 0.0006748900000000, 0.0023676000000000 ] - [ -0.0013789500000000, 0.0001405900000000, 0.0008367700000000 ] - [ -0.0009988700000000, -0.0002674300000000, 0.0000319700000000 ] - [ 0.0072337300000000, -0.0007346600000000, -0.0050504800000000 ] - [ -0.0008086100000000, -0.0002231000000000, 0.0002129600000000 ] - [ 0.0016033300000000, 0.0001719600000000, 0.0001991800000000 ] - [ 0.0014547900000000, 0.0005538100000000, 0.0003140700000000 ] - [ 0.0018500600000000, 0.0000955400000000, 0.0002464100000000 ] - [ -0.0054430100000000, 0.0084048000000000, -0.0094187600000000 ] - [ 0.0010595300000000, -0.0001934900000000, 0.0015286700000000 ] - [ 0.0012136200000000, 0.0002066600000000, 0.0013136100000000 ] - [ 0.0012100800000000, -0.0026336200000000, -0.0005870200000000 ] - [ 0.0016697600000000, 0.0009571500000000, 0.0015865400000000 ] - [ -0.0023364200000000, -0.0005454200000000, -0.0016997100000000 ] - [ -0.0031789000000000, 0.0005038700000000, -0.0010151500000000 ] - [ -0.0013470100000000, -0.0002338300000000, -0.0014394600000000 ] - [ -0.0013438400000000, -0.0000572300000000, -0.0014915000000000 ] - [ -0.0048721900000000, -0.0003742900000000, -0.0006789100000000 ] - [ -0.0018662900000000, -0.0001446900000000, -0.0002297200000000 ] - [ -0.0020164900000000, -0.0002700600000000, -0.0001313300000000 ] - [ -0.0016931800000000, -0.0002097200000000, -0.0002670200000000 ] - [ 0.0007249200000000, 0.0005082900000000, -0.0001927500000000 ] - [ -0.0048542000000000, -0.0013473900000000, -0.0010136400000000 ] - [ 0.0009258500000000, 0.0002087100000000, -0.0000391300000000 ] - [ 0.0006960900000000, 0.0002671200000000, -0.0000681600000000 ] - [ -0.0007563200000000, 0.0000799300000000, -0.0024512600000000 ] - [ -0.0007767700000000, -0.0016113600000000, -0.0024146200000000 ] - [ -0.0006777100000000, -0.0007500100000000, -0.0016976900000000 ] - [ -0.0006910400000000, -0.0009653300000000, -0.0018726800000000 ] - [ -0.0014209800000000, 0.0001094600000000, -0.0014361300000000 ] - [ -0.0026133100000000, 0.0006119100000000, -0.0015637000000000 ] - [ -0.0013712700000000, 0.0000508600000000, -0.0014925500000000 ] - [ -0.0023677600000000, 0.0001265800000000, -0.0024011800000000 ] - [ -0.0032864800000000, -0.0000684400000000, -0.0003542600000000 ] - [ -0.0018833900000000, 0.0002082100000000, -0.0003021900000000 ] - [ -0.0022948200000000, -0.0000849400000000, -0.0004620700000000 ] - [ -0.0018691600000000, 0.0006703000000000, -0.0005984000000000 ] - [ -0.0072265000000000, 0.0078406800000000, 0.0023922100000000 ] - [ -0.0001781600000000, 0.0008381000000000, -0.0001716000000000 ] - [ 0.0001605000000000, 0.0013034100000000, -0.0003111900000000 ] - [ 0.0000283100000000, 0.0012974700000000, -0.0002412500000000 ] - [ 0.0006569900000000, 0.0003803600000000, -0.0005130000000000 ] - [ 0.0008189700000000, -0.0003697600000000, -0.0003906600000000 ] - [ 0.0002644000000000, 0.0002432100000000, 0.0006067800000000 ] - [ -0.0000034800000000, -0.0005830100000000, 0.0002941600000000 ] - [ -0.0005467500000000, 0.0008232600000000, -0.0019633200000000 ] - [ -0.0004876600000000, 0.0007721000000000, -0.0025861100000000 ] - [ -0.0007830700000000, 0.0011744200000000, -0.0015958100000000 ] - [ -0.0029147000000000, -0.0004508900000000, 0.0001022900000000 ] - [ -0.0013664900000000, 0.0012402500000000, -0.0046214300000000 ] - [ 0.0000842600000000, -0.0014114600000000, -0.0002975800000000 ] - [ -0.0000116200000000, -0.0012367500000000, 0.0003144800000000 ] - [ -0.0001260500000000, -0.0011834600000000, -0.0001435400000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010185500000000, -0.0008648700000000, -0.0010289100000000 ] - [ -0.0009493300000000, -0.0017919100000000, -0.0029788400000000 ] - [ 0.0002738100000000, 0.0259565900000000, 0.0036166100000000 ] - [ 0.0004577800000000, -0.0101491400000000, -0.0030373300000000 ] - [ 0.0001916400000000, 0.0190460800000000, -0.0131213500000000 ] - [ -0.0012289700000000, -0.0021051700000000, -0.0026463100000000 ] - [ -0.0020679200000000, 0.0045182300000000, -0.0014427300000000 ] - [ -0.0010552500000000, -0.0011243300000000, -0.0019247400000000 ] - [ -0.0035977700000000, 0.0005741800000000, -0.0011074000000000 ] - [ 0.0024390000000000, -0.0028156300000000, -0.0019911300000000 ] - [ 0.0013027500000000, 0.0006101300000000, -0.0009780900000000 ] - [ 0.0018296000000000, -0.0011273600000000, -0.0004821000000000 ] - [ -0.0021126700000000, -0.0029222600000000, 0.0010654300000000 ] - [ 0.0006479300000000, 0.0031368100000000, -0.0023796900000000 ] - [ -0.0017243700000000, -0.0014707200000000, 0.0010432400000000 ] - [ -0.0018204600000000, 0.0005595900000000, 0.0023285500000000 ] - [ 0.0007184800000000, 0.0019254600000000, -0.0008323600000000 ] - [ 0.0018012700000000, -0.0011242000000000, -0.0011216400000000 ] - [ 0.0025355500000000, 0.0074231400000000, -0.0007812000000000 ] - [ 0.0018805300000000, -0.0021505000000000, -0.0007965500000000 ] - [ -0.0020783000000000, -0.0001229500000000, 0.0022287500000000 ] - [ -0.0015906100000000, 0.0006964900000000, 0.0002534600000000 ] - [ -0.0028669000000000, -0.0013599800000000, -0.0007096900000000 ] - [ 0.0006320500000000, -0.0028522600000000, 0.0044060400000000 ] - [ 0.0016714600000000, -0.0029872400000000, 0.0030858300000000 ] - [ -0.0022970800000000, 0.0018852400000000, -0.0007668600000000 ] - [ 0.0011791500000000, -0.0023247600000000, 0.0021847700000000 ] - [ 0.0009620000000000, 0.0001838100000000, 0.0036309700000000 ] - [ 0.0032384900000000, -0.0016902900000000, 0.0022034500000000 ] - [ -0.0067308500000000, 0.0000415600000000, 0.0016550000000000 ] - [ 0.0010134100000000, 0.0006881900000000, 0.0029844800000000 ] - [ 0.0009793300000000, 0.0012434400000000, 0.0023392900000000 ] - [ -0.0009460200000000, -0.0001831900000000, -0.0008030300000000 ] - [ -0.0004525900000000, 0.0033606900000000, -0.0000170000000000 ] - [ -0.0024964400000000, -0.0042647100000000, -0.0015166300000000 ] - [ -0.0264750300000000, 0.1110291000000000, -0.0856208400000000 ] - [ -0.0012676500000000, -0.0050992800000000, 0.0052484700000000 ] - [ 0.0018622500000000, -0.0054967300000000, -0.0024732300000000 ] - [ -0.0013745400000000, -0.0033269500000000, -0.0034628000000000 ] - [ -0.0009576300000000, -0.0008313200000000, 0.0017339800000000 ] - [ 0.0022457100000000, 0.0000972600000000, 0.0023586000000000 ] - [ 0.0007387300000000, -0.0006608300000000, -0.0001946500000000 ] - [ 0.0013631300000000, 0.0018697000000000, 0.0001460500000000 ] - [ 0.0010378900000000, -0.0001167500000000, 0.0019507300000000 ] - [ 0.0027296100000000, 0.0069789300000000, 0.0008307300000000 ] - [ 0.0005618400000000, -0.0038546400000000, 0.0008673600000000 ] - [ 0.0010315300000000, 0.0004733700000000, 0.0013767000000000 ] - [ 0.0008981600000000, -0.0020345200000000, 0.0011318200000000 ] - [ -0.0008246600000000, 0.0041775500000000, -0.0007853200000000 ] - [ -0.0009924300000000, 0.0062822400000000, 0.0116864500000000 ] - [ -0.0002346700000000, 0.0026738600000000, 0.0005600200000000 ] - [ 0.0001921000000000, 0.0002585800000000, -0.0007117700000000 ] - [ 0.0292512700000000, -0.1841152900000000, 0.1060433500000000 ] - [ 0.0007614900000000, 0.0023687100000000, 0.0020480100000000 ] - [ 0.0005306800000000, -0.0013645800000000, 0.0008336600000000 ] - [ 0.0006806000000000, -0.0001021800000000, 0.0016745800000000 ] - [ 0.0061757200000000, 0.0153097800000000, -0.0096360300000000 ] - [ -0.0018712700000000, 0.0020667300000000, 0.0012282400000000 ] - [ -0.0006462800000000, -0.0002454300000000, 0.0010690300000000 ] - [ -0.0010011500000000, 0.0006871400000000, -0.0007611800000000 ] - [ 0.0001364300000000, -0.0006168300000000, -0.0000170100000000 ] - [ -0.0003755300000000, -0.0019888900000000, 0.0004028900000000 ] - [ -0.0009239000000000, 0.0063881400000000, -0.0004113000000000 ] - [ 0.0066909200000000, 0.0183915000000000, -0.0074999800000000 ] - [ 0.0041965500000000, 0.0013965200000000, -0.0010303900000000 ] - [ 0.0003692300000000, -0.0000190700000000, 0.0007916100000000 ] - [ 0.0020597900000000, 0.0002862900000000, 0.0009938200000000 ] - [ 0.0015117500000000, -0.0002683400000000, -0.0009787400000000 ] - [ 0.0040331700000000, -0.0041261400000000, 0.0014734100000000 ] - [ 0.0009063800000000, 0.0015053200000000, 0.0015672600000000 ] - [ 0.0013123800000000, -0.0011479000000000, 0.0004940100000000 ] - [ 0.0010305600000000, 0.0006711300000000, 0.0011607300000000 ] - [ 0.0006409600000000, 0.0005017800000000, -0.0004976800000000 ] - [ 0.0004014000000000, 0.0027547400000000, 0.0028776600000000 ] - [ -0.0011756300000000, 0.0004837800000000, 0.0102390200000000 ] - [ 0.0005117600000000, 0.0028193100000000, -0.0008551800000000 ] - [ 0.0013978500000000, -0.0033759200000000, -0.0043423100000000 ] - [ -0.0010178000000000, 0.0006128200000000, 0.0000642400000000 ] - [ -0.0013070100000000, -0.0117481900000000, -0.0044180400000000 ] - [ -0.0010171100000000, 0.0021327600000000, 0.0001580300000000 ] - [ 0.0014489700000000, 0.0008038300000000, 0.0000657400000000 ] - [ 0.0023757500000000, -0.0007077400000000, -0.0001273700000000 ] - [ 0.0020181700000000, 0.0017723900000000, 0.0005873200000000 ] - [ -0.0099419200000000, 0.0024491200000000, -0.0088807200000000 ] - [ 0.0015721500000000, -0.0001025300000000, 0.0010839500000000 ] - [ 0.0011130500000000, 0.0005748400000000, 0.0013100200000000 ] - [ 0.0070683400000000, -0.0001090900000000, 0.0053656800000000 ] - [ 0.0003374000000000, 0.0021691900000000, 0.0009721300000000 ] - [ -0.0011337300000000, 0.0009324800000000, -0.0012663700000000 ] - [ -0.0010021300000000, 0.0004778200000000, -0.0002110300000000 ] - [ -0.0011776500000000, 0.0000117700000000, -0.0017270000000000 ] - [ -0.0011545200000000, -0.0002734200000000, -0.0014230500000000 ] - [ -0.0020291300000000, -0.0032030800000000, 0.0002962700000000 ] - [ -0.0017295600000000, 0.0011059800000000, -0.0001427400000000 ] - [ -0.0014211800000000, -0.0008631100000000, -0.0004924200000000 ] - [ -0.0017598400000000, 0.0003033700000000, -0.0003122200000000 ] - [ 0.0009015700000000, 0.0015883800000000, 0.0002390700000000 ] - [ 0.0028192800000000, -0.0020093600000000, 0.0001911800000000 ] - [ 0.0009947700000000, 0.0006671600000000, 0.0000288000000000 ] - [ 0.0009528800000000, -0.0004551100000000, -0.0005292400000000 ] - [ -0.0013620800000000, 0.0000092500000000, -0.0026353400000000 ] - [ 0.0001635700000000, 0.0000461800000000, -0.0001979400000000 ] - [ -0.0007434100000000, -0.0007409100000000, -0.0016883100000000 ] - [ -0.0005733100000000, -0.0007923500000000, -0.0024360700000000 ] - [ -0.0012416200000000, 0.0011572100000000, -0.0016878400000000 ] - [ -0.0006644900000000, -0.0010401900000000, -0.0003346900000000 ] - [ -0.0013657300000000, 0.0014648700000000, -0.0010292300000000 ] - [ -0.0015182700000000, -0.0009452200000000, -0.0029683300000000 ] - [ -0.0018299800000000, -0.0000648200000000, -0.0007803400000000 ] - [ -0.0014797300000000, 0.0009494600000000, 0.0003758600000000 ] - [ -0.0018260300000000, -0.0007194800000000, -0.0000246600000000 ] - [ -0.0015783100000000, 0.0012733200000000, -0.0008864500000000 ] - [ -0.0089279000000000, 0.0013549900000000, 0.0014379000000000 ] - [ 0.0011646500000000, 0.0036349600000000, 0.0000367200000000 ] - [ -0.0003794400000000, 0.0007392700000000, -0.0005522100000000 ] - [ 0.0002090000000000, 0.0018488000000000, -0.0001625600000000 ] - [ 0.0008883800000000, 0.0003058200000000, -0.0006509400000000 ] - [ 0.0012468800000000, -0.0001684300000000, 0.0005980600000000 ] - [ 0.0006606300000000, 0.0000290800000000, 0.0009259700000000 ] - [ 0.0009613400000000, 0.0001598200000000, -0.0011092600000000 ] - [ -0.0006358800000000, 0.0014813100000000, -0.0022628700000000 ] - [ -0.0005578200000000, -0.0003670700000000, -0.0014838300000000 ] - [ -0.0009648100000000, 0.0023654900000000, -0.0017364100000000 ] - [ 0.0006910600000000, -0.0017882600000000, -0.0022239400000000 ] - [ -0.0028365100000000, -0.0026352300000000, -0.0029454900000000 ] - [ -0.0001056700000000, 0.0000570800000000, -0.0000506300000000 ] - [ -0.0000905100000000, -0.0026287000000000, -0.0000556100000000 ] - [ -0.0000743300000000, -0.0002145100000000, -0.0003758600000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009737100000000, -0.0012763100000000, -0.0039070600000000 ] - [ -0.0010451400000000, -0.0003281100000000, -0.0019770600000000 ] - [ -0.0021874500000000, -0.0297475100000000, -0.0096741600000000 ] - [ -0.0024428900000000, 0.0080016700000000, -0.0019141600000000 ] - [ -0.0021845300000000, -0.0168905100000000, 0.0082263100000000 ] - [ -0.0007630000000000, 0.0042421900000000, -0.0023143700000000 ] - [ 0.0000945200000000, -0.0024315700000000, -0.0035357600000000 ] - [ -0.0009301600000000, 0.0032700600000000, -0.0030260400000000 ] - [ 0.0070013800000000, -0.0013241400000000, -0.0011578300000000 ] - [ 0.0009624000000000, 0.0021125900000000, -0.0002479600000000 ] - [ 0.0021002200000000, -0.0013304600000000, -0.0012609800000000 ] - [ 0.0015657900000000, 0.0004184800000000, -0.0017574100000000 ] - [ -0.0012712700000000, 0.0022237500000000, 0.0011801700000000 ] - [ -0.0040605200000000, -0.0038206000000000, 0.0046097200000000 ] - [ -0.0016669100000000, 0.0007696300000000, 0.0012069600000000 ] - [ -0.0015848100000000, -0.0012639500000000, -0.0000951100000000 ] - [ 0.0026657900000000, -0.0012175200000000, -0.0013861200000000 ] - [ 0.0015980900000000, 0.0018332400000000, -0.0011189000000000 ] - [ 0.0008341900000000, -0.0067371700000000, -0.0014572000000000 ] - [ 0.0015263100000000, 0.0028636700000000, -0.0014375400000000 ] - [ -0.0013137900000000, 0.0008200100000000, 0.0000164400000000 ] - [ -0.0018105200000000, 0.0000204800000000, 0.0019887900000000 ] - [ -0.0005129500000000, 0.0020676300000000, 0.0029619000000000 ] - [ -0.0040300900000000, 0.0035712900000000, -0.0021659200000000 ] - [ 0.0003070800000000, 0.0008597600000000, 0.0018695300000000 ] - [ 0.0043084300000000, -0.0039742000000000, 0.0057592800000000 ] - [ 0.0008033400000000, 0.0001980400000000, 0.0027733900000000 ] - [ 0.0010353300000000, -0.0023102100000000, 0.0013177500000000 ] - [ -0.0012679100000000, 0.0038237000000000, 0.0027421000000000 ] - [ 0.0086728900000000, 0.0020897600000000, 0.0032829600000000 ] - [ 0.0009697400000000, 0.0014473300000000, 0.0019818900000000 ] - [ 0.0010189400000000, 0.0008742100000000, 0.0026090200000000 ] - [ -0.0008493800000000, 0.0021185800000000, -0.0011431500000000 ] - [ -0.0013410700000000, -0.0014105700000000, -0.0019177200000000 ] - [ 0.0007162900000000, 0.0062235400000000, -0.0004255800000000 ] - [ 0.0233436900000000, -0.1057506800000000, 0.0789550300000000 ] - [ -0.0005268000000000, 0.0031329800000000, -0.0072453600000000 ] - [ -0.0036602400000000, 0.0035724200000000, 0.0005153100000000 ] - [ -0.0004148300000000, 0.0013979800000000, 0.0015474700000000 ] - [ -0.0008349600000000, -0.0011051600000000, -0.0036646600000000 ] - [ -0.0004418600000000, 0.0018142500000000, -0.0004267500000000 ] - [ 0.0010561600000000, 0.0026027700000000, 0.0021380200000000 ] - [ 0.0004275200000000, 0.0000594200000000, 0.0018000900000000 ] - [ 0.0007549300000000, 0.0020626200000000, 0.0000010200000000 ] - [ -0.0008997200000000, -0.0089464800000000, 0.0010919500000000 ] - [ 0.0012248800000000, 0.0019010700000000, 0.0010728100000000 ] - [ 0.0007625300000000, -0.0024055400000000, 0.0005731600000000 ] - [ 0.0008986200000000, 0.0000995200000000, 0.0008166100000000 ] - [ 0.0008748700000000, -0.0016563200000000, 0.0012140300000000 ] - [ 0.0009412100000000, -0.0036157000000000, -0.0111498100000000 ] - [ 0.0002458300000000, -0.0001056500000000, -0.0001497500000000 ] - [ -0.0002091800000000, 0.0023379700000000, 0.0011070400000000 ] - [ -0.0267295600000000, 0.1807311300000000, -0.0965812100000000 ] - [ 0.0004446800000000, -0.0039020400000000, 0.0016165800000000 ] - [ 0.0006957100000000, -0.0002024100000000, 0.0028532600000000 ] - [ 0.0005559400000000, -0.0015102200000000, 0.0020391000000000 ] - [ -0.0083075800000000, -0.0151505200000000, 0.0098221700000000 ] - [ -0.0001434200000000, -0.0017603200000000, -0.0010913500000000 ] - [ -0.0013511600000000, 0.0006629400000000, -0.0010756200000000 ] - [ -0.0010029400000000, -0.0003264800000000, 0.0008028600000000 ] - [ -0.0001258900000000, -0.0019614700000000, 0.0004148900000000 ] - [ 0.0003565700000000, -0.0006223100000000, -0.0000019300000000 ] - [ 0.0008717300000000, -0.0091361700000000, 0.0008343900000000 ] - [ -0.0065624900000000, -0.0206485400000000, 0.0077379600000000 ] - [ -0.0010157200000000, -0.0018874100000000, 0.0014477200000000 ] - [ 0.0029236900000000, -0.0004564100000000, -0.0003741000000000 ] - [ 0.0011435500000000, -0.0007718100000000, -0.0005998800000000 ] - [ 0.0017341500000000, -0.0002161600000000, 0.0013756700000000 ] - [ -0.0015663700000000, 0.0038434100000000, 0.0012185500000000 ] - [ 0.0014908900000000, -0.0018021400000000, 0.0011509300000000 ] - [ 0.0010983000000000, 0.0008609400000000, 0.0022288100000000 ] - [ 0.0013624200000000, -0.0009764900000000, 0.0015440900000000 ] - [ 0.0006040000000000, 0.0012050000000000, 0.0042382600000000 ] - [ 0.0008118100000000, -0.0012310300000000, 0.0007754200000000 ] - [ 0.0024476700000000, 0.0011638900000000, -0.0066186500000000 ] - [ 0.0007150000000000, -0.0012425400000000, 0.0045438700000000 ] - [ -0.0033931700000000, 0.0029907000000000, 0.0043645500000000 ] - [ -0.0009802600000000, -0.0009832400000000, -0.0000079900000000 ] - [ -0.0006934400000000, 0.0113584100000000, 0.0046354500000000 ] - [ -0.0009842400000000, -0.0024669700000000, -0.0000671700000000 ] - [ 0.0017623600000000, -0.0003153200000000, 0.0003371100000000 ] - [ 0.0008823800000000, 0.0011827500000000, 0.0005339000000000 ] - [ 0.0012739700000000, -0.0013065900000000, -0.0001686600000000 ] - [ 0.0131063200000000, -0.0020227000000000, 0.0092387100000000 ] - [ 0.0008221500000000, 0.0004077400000000, 0.0016212200000000 ] - [ 0.0012909900000000, -0.0002866300000000, 0.0014054100000000 ] - [ -0.0047307200000000, 0.0004248900000000, -0.0026620000000000 ] - [ 0.0020533700000000, -0.0018754400000000, 0.0017458400000000 ] - [ -0.0012729800000000, -0.0012290800000000, -0.0014344500000000 ] - [ -0.0013913500000000, -0.0007799900000000, -0.0024983000000000 ] - [ -0.0012198800000000, -0.0003039500000000, -0.0009921300000000 ] - [ -0.0012429400000000, -0.0000273600000000, -0.0012954400000000 ] - [ -0.0012308400000000, 0.0027334000000000, -0.0006957200000000 ] - [ -0.0014648200000000, -0.0015940800000000, -0.0002496200000000 ] - [ -0.0018766100000000, 0.0004062800000000, 0.0000700500000000 ] - [ -0.0014767100000000, -0.0007887500000000, -0.0000955000000000 ] - [ 0.0011005000000000, -0.0011908100000000, -0.0002623100000000 ] - [ -0.0008275400000000, 0.0023662600000000, -0.0002389300000000 ] - [ 0.0010059800000000, -0.0002705400000000, -0.0000648600000000 ] - [ 0.0010545100000000, 0.0007941300000000, 0.0004381200000000 ] - [ 0.0001395800000000, -0.0016022000000000, -0.0010540400000000 ] - [ -0.0013880400000000, -0.0016234400000000, -0.0034839300000000 ] - [ -0.0004782400000000, -0.0008373400000000, -0.0020214400000000 ] - [ -0.0006624900000000, -0.0008048600000000, -0.0012805300000000 ] - [ -0.0011691400000000, -0.0008562600000000, -0.0010307600000000 ] - [ -0.0017349100000000, 0.0013243700000000, -0.0023757000000000 ] - [ -0.0010334900000000, -0.0011643000000000, -0.0016892500000000 ] - [ -0.0008794300000000, 0.0012372700000000, 0.0002474800000000 ] - [ -0.0014160200000000, 0.0005546100000000, 0.0003739500000000 ] - [ -0.0017877900000000, -0.0004770700000000, -0.0007790700000000 ] - [ -0.0014335700000000, 0.0011951900000000, -0.0003903600000000 ] - [ -0.0016472300000000, -0.0007965500000000, 0.0004772600000000 ] - [ 0.0089983700000000, 0.0012735800000000, -0.0018502200000000 ] - [ -0.0011666900000000, -0.0010645600000000, -0.0004392400000000 ] - [ 0.0004115000000000, 0.0019000500000000, 0.0001444700000000 ] - [ -0.0001978100000000, 0.0007445700000000, -0.0002495700000000 ] - [ 0.0011111900000000, -0.0006664800000000, 0.0005816400000000 ] - [ 0.0007534900000000, -0.0002107700000000, -0.0006330100000000 ] - [ 0.0013390500000000, -0.0003913700000000, -0.0009886800000000 ] - [ 0.0010460900000000, -0.0005188800000000, 0.0010413600000000 ] - [ -0.0005924300000000, 0.0001167800000000, -0.0014599700000000 ] - [ -0.0006683200000000, 0.0019279300000000, -0.0022026100000000 ] - [ -0.0002825600000000, -0.0007203000000000, -0.0020168200000000 ] - [ -0.0019204200000000, 0.0033773000000000, -0.0014752200000000 ] - [ 0.0028145500000000, 0.0000737600000000, 0.0025369500000000 ] - [ 0.0001541700000000, -0.0027053900000000, -0.0003442300000000 ] - [ 0.0001099800000000, 0.0000182400000000, -0.0003620200000000 ] - [ 0.0000753700000000, -0.0023720500000000, -0.0000378500000000 ]- atom: 53 displacement: [ -0.0019782548681478, 0.0000000000000000, 0.0098023725534510 ] forces: - [ -0.0000139700000000, 0.0000077000000000, -0.0083272600000000 ] - [ -0.0004456900000000, -0.0017728100000000, -0.0044880000000000 ] - [ -0.0034231300000000, 0.0033309500000000, 0.0222388100000000 ] - [ -0.0021172300000000, 0.0025247500000000, -0.0005436400000000 ] - [ -0.0124258800000000, -0.0095676700000000, 0.0487428600000000 ] - [ -0.0010184800000000, 0.0011197600000000, -0.0010168700000000 ] - [ 0.0045612900000000, -0.0004148700000000, -0.0135138500000000 ] - [ -0.0008699500000000, 0.0013373400000000, -0.0037194600000000 ] - [ 0.0043296900000000, 0.0021238600000000, 0.0060816500000000 ] - [ 0.0020128700000000, -0.0003120100000000, 0.0013792400000000 ] - [ 0.0012460600000000, -0.0015357500000000, -0.0048083600000000 ] - [ 0.0015884200000000, -0.0001486500000000, -0.0028712300000000 ] - [ -0.0012673300000000, 0.0004254300000000, 0.0030499000000000 ] - [ 0.0006811000000000, -0.0036152800000000, 0.0078445600000000 ] - [ -0.0018410200000000, -0.0004255600000000, -0.0003531900000000 ] - [ -0.0023612000000000, 0.0007862500000000, -0.0028122100000000 ] - [ 0.0046455300000000, 0.0004276200000000, -0.0040443900000000 ] - [ 0.0018458100000000, 0.0004965500000000, -0.0014146400000000 ] - [ -0.0074792800000000, -0.0016202900000000, -0.0034210000000000 ] - [ 0.0014090100000000, 0.0006374500000000, -0.0011926500000000 ] - [ -0.0013555800000000, 0.0014762300000000, -0.0003543900000000 ] - [ -0.0011887700000000, -0.0009134800000000, -0.0000550200000000 ] - [ -0.0026229400000000, -0.0012832400000000, 0.0012782900000000 ] - [ -0.0031794200000000, 0.0031352200000000, 0.0004319100000000 ] - [ 0.0001711700000000, -0.0000110000000000, 0.0030386600000000 ] - [ -0.0051083200000000, -0.0048812500000000, 0.0017796200000000 ] - [ 0.0013638100000000, -0.0013669600000000, 0.0017879500000000 ] - [ 0.0019009100000000, -0.0002835800000000, 0.0001219200000000 ] - [ 0.0023080400000000, -0.0004336500000000, 0.0049891800000000 ] - [ 0.0045078600000000, 0.0024438500000000, 0.0056287300000000 ] - [ 0.0007455800000000, 0.0016672100000000, 0.0001636300000000 ] - [ 0.0004203100000000, 0.0004023100000000, 0.0002022200000000 ] - [ -0.0006021800000000, 0.0016891300000000, -0.0020185800000000 ] - [ -0.0007626300000000, -0.0012406700000000, -0.0067754700000000 ] - [ -0.0023740800000000, -0.0003132000000000, 0.0000224400000000 ] - [ 0.0167061100000000, -0.0773038800000000, 0.1015743100000000 ] - [ 0.0000166300000000, 0.0035609900000000, 0.0001018000000000 ] - [ 0.0030679300000000, -0.0090771800000000, 0.0016509000000000 ] - [ -0.0013228700000000, -0.0028065400000000, -0.0037219900000000 ] - [ -0.0011381900000000, 0.0012268000000000, -0.0031742500000000 ] - [ -0.0019029900000000, 0.0063426700000000, 0.0021036300000000 ] - [ 0.0005986300000000, 0.0005666100000000, 0.0016764300000000 ] - [ 0.0009402700000000, -0.0003563100000000, -0.0000629000000000 ] - [ 0.0008577700000000, 0.0013821500000000, 0.0000705900000000 ] - [ 0.0050332300000000, -0.0000071700000000, 0.0049092300000000 ] - [ 0.0013651200000000, -0.0004782200000000, 0.0019407500000000 ] - [ 0.0003172400000000, -0.0012992600000000, -0.0018819800000000 ] - [ 0.0006424600000000, -0.0009891300000000, 0.0000526300000000 ] - [ 0.0009507500000000, -0.0010907000000000, -0.0000648900000000 ] - [ -0.0005403300000000, 0.0164179100000000, 0.0087570400000000 ] - [ -0.0003661700000000, 0.0021594000000000, 0.0007667400000000 ] - [ -0.0008815800000000, -0.0003539600000000, 0.0018819700000000 ] - [ -0.0048918100000000, 0.0917389900000000, -0.2373029700000000 ] - [ 0.0009816900000000, -0.0006042700000000, -0.0000578800000000 ] - [ 0.0002610800000000, -0.0017639100000000, 0.0069929200000000 ] - [ 0.0004998300000000, -0.0010272300000000, 0.0029680000000000 ] - [ -0.0031643100000000, -0.0101810300000000, -0.0038567200000000 ] - [ -0.0008586600000000, 0.0014766200000000, -0.0024998700000000 ] - [ -0.0011821100000000, 0.0005627400000000, 0.0027926600000000 ] - [ -0.0011991800000000, -0.0004583400000000, 0.0014866500000000 ] - [ -0.0000894700000000, -0.0022131500000000, 0.0012920400000000 ] - [ 0.0002509700000000, -0.0003910200000000, 0.0017096600000000 ] - [ -0.0006949200000000, 0.0040707600000000, -0.0013274300000000 ] - [ -0.0022970000000000, -0.0125815500000000, -0.0011820000000000 ] - [ -0.0003534700000000, -0.0014999300000000, -0.0002907400000000 ] - [ -0.0000330800000000, 0.0012110700000000, -0.0009552700000000 ] - [ 0.0021623900000000, 0.0002581000000000, 0.0011511800000000 ] - [ 0.0019326800000000, -0.0010428300000000, 0.0014515300000000 ] - [ -0.0099480000000000, -0.0004220800000000, 0.0012253500000000 ] - [ 0.0010000100000000, -0.0003154100000000, 0.0007319900000000 ] - [ 0.0034497400000000, 0.0005278400000000, 0.0068483900000000 ] - [ 0.0013188900000000, -0.0002106300000000, 0.0019719500000000 ] - [ -0.0002476300000000, -0.0078708400000000, 0.0049894600000000 ] - [ 0.0001134400000000, 0.0034518800000000, 0.0026747200000000 ] - [ -0.0001166200000000, 0.0031357300000000, 0.0050086900000000 ] - [ 0.0006844300000000, -0.0003007800000000, 0.0028043000000000 ] - [ -0.0063217900000000, 0.0043767000000000, 0.0105835500000000 ] - [ -0.0011876000000000, -0.0000892200000000, 0.0004214100000000 ] - [ 0.0074318400000000, 0.0028352000000000, 0.0440379600000000 ] - [ -0.0007526700000000, -0.0003281600000000, 0.0002531700000000 ] - [ 0.0014727800000000, -0.0000695200000000, 0.0008630600000000 ] - [ 0.0000684000000000, 0.0013069400000000, 0.0021027000000000 ] - [ 0.0021765100000000, 0.0004702700000000, -0.0004623600000000 ] - [ 0.0096339100000000, -0.0039736100000000, -0.0011064000000000 ] - [ 0.0003011800000000, -0.0007351200000000, 0.0033625600000000 ] - [ 0.0010119100000000, 0.0004671600000000, 0.0022106200000000 ] - [ 0.0053034500000000, 0.0031163100000000, -0.0006999300000000 ] - [ 0.0016639500000000, -0.0007299000000000, 0.0005511100000000 ] - [ -0.0017394000000000, -0.0004847100000000, -0.0032466800000000 ] - [ -0.0011979400000000, -0.0002691200000000, -0.0036966500000000 ] - [ -0.0009190900000000, 0.0000002900000000, 0.0001244400000000 ] - [ -0.0011355500000000, -0.0002454900000000, 0.0001163300000000 ] - [ -0.0019973200000000, -0.0000135400000000, -0.0030650300000000 ] - [ -0.0017824600000000, -0.0004180400000000, -0.0009115700000000 ] - [ -0.0014863200000000, -0.0002470300000000, 0.0017407900000000 ] - [ -0.0015499800000000, -0.0002689300000000, 0.0003781400000000 ] - [ 0.0008937200000000, -0.0001466900000000, -0.0011645800000000 ] - [ 0.0013060600000000, -0.0001390300000000, -0.0031951000000000 ] - [ 0.0010308800000000, 0.0002610200000000, 0.0007829800000000 ] - [ 0.0010804100000000, 0.0006722600000000, 0.0019042900000000 ] - [ -0.0000276900000000, -0.0022661800000000, -0.0039820200000000 ] - [ 0.0000644700000000, -0.0002127300000000, -0.0039766500000000 ] - [ -0.0007386000000000, -0.0002683800000000, -0.0005736600000000 ] - [ -0.0008559700000000, -0.0009844400000000, -0.0005963800000000 ] - [ -0.0011204700000000, -0.0004597300000000, -0.0015843600000000 ] - [ -0.0010240900000000, 0.0013317300000000, -0.0016837300000000 ] - [ -0.0011901200000000, 0.0005176300000000, -0.0008513300000000 ] - [ -0.0005266300000000, -0.0011108600000000, 0.0003054200000000 ] - [ -0.0012179000000000, -0.0011512300000000, -0.0003892700000000 ] - [ -0.0016074100000000, 0.0004790200000000, -0.0005062200000000 ] - [ -0.0011140000000000, 0.0014011300000000, 0.0008998300000000 ] - [ -0.0016539000000000, -0.0002119400000000, 0.0003445200000000 ] - [ -0.0050400200000000, 0.0044076800000000, -0.0020293100000000 ] - [ -0.0005134600000000, 0.0005630000000000, -0.0007124100000000 ] - [ 0.0004371700000000, 0.0012315800000000, 0.0010555700000000 ] - [ 0.0001523200000000, 0.0014807900000000, 0.0002605700000000 ] - [ 0.0013474800000000, -0.0017627000000000, 0.0008676300000000 ] - [ 0.0012979400000000, 0.0005480800000000, 0.0002597500000000 ] - [ 0.0009355000000000, 0.0004261500000000, -0.0000600900000000 ] - [ 0.0010642300000000, -0.0008116500000000, 0.0003007100000000 ] - [ -0.0005353200000000, 0.0004130700000000, -0.0012384400000000 ] - [ -0.0000379900000000, 0.0011522000000000, 0.0002138200000000 ] - [ -0.0009505000000000, 0.0010023500000000, -0.0020606700000000 ] - [ -0.0030205400000000, 0.0002072200000000, -0.0021875800000000 ] - [ 0.0085381800000000, -0.0050140700000000, 0.0038022900000000 ] - [ 0.0001116800000000, -0.0012850100000000, -0.0004713300000000 ] - [ -0.0012631200000000, -0.0008249600000000, 0.0003800600000000 ] - [ -0.0000194300000000, -0.0014824100000000, 0.0000704900000000 ]- atom: 53 displacement: [ 0.0019782548681478, 0.0000000000000000, -0.0098023725534510 ] forces: - [ -0.0019527500000000, -0.0021298900000000, 0.0032998900000000 ] - [ -0.0015251800000000, -0.0003701700000000, -0.0004762000000000 ] - [ 0.0014564600000000, -0.0061425700000000, -0.0274585800000000 ] - [ 0.0001309300000000, -0.0046014700000000, -0.0044131600000000 ] - [ 0.0096279000000000, 0.0107584100000000, -0.0504437000000000 ] - [ -0.0009620300000000, 0.0010277500000000, -0.0039254000000000 ] - [ -0.0065610300000000, 0.0025647400000000, 0.0085375800000000 ] - [ -0.0011099300000000, 0.0008008500000000, -0.0012559500000000 ] - [ -0.0009546100000000, -0.0028487100000000, -0.0082436100000000 ] - [ 0.0013767400000000, -0.0003783900000000, -0.0035818900000000 ] - [ 0.0021492700000000, 0.0008369300000000, 0.0025476800000000 ] - [ 0.0018014900000000, -0.0005562400000000, 0.0006159800000000 ] - [ -0.0021167200000000, -0.0011194000000000, -0.0007917600000000 ] - [ -0.0040850300000000, 0.0028913900000000, -0.0055159900000000 ] - [ -0.0015425700000000, -0.0002740900000000, 0.0025696500000000 ] - [ -0.0010200700000000, -0.0014948300000000, 0.0050227100000000 ] - [ -0.0012220000000000, 0.0002660100000000, 0.0018070600000000 ] - [ 0.0015410200000000, 0.0002173800000000, -0.0008165600000000 ] - [ 0.0108819500000000, 0.0022999400000000, 0.0011061800000000 ] - [ 0.0019792400000000, 0.0000771200000000, -0.0010488500000000 ] - [ -0.0020245400000000, -0.0007562700000000, 0.0025870000000000 ] - [ -0.0021961300000000, 0.0016083500000000, 0.0022960200000000 ] - [ -0.0007709700000000, 0.0019739200000000, 0.0009544000000000 ] - [ -0.0002342200000000, -0.0023884000000000, 0.0017582900000000 ] - [ 0.0017969800000000, -0.0021067500000000, 0.0019403800000000 ] - [ 0.0070596800000000, 0.0027116400000000, 0.0032340000000000 ] - [ 0.0006120100000000, -0.0007644000000000, 0.0031576300000000 ] - [ 0.0000705200000000, -0.0018556900000000, 0.0048095400000000 ] - [ -0.0003311800000000, 0.0025524700000000, -0.0000028700000000 ] - [ -0.0024791200000000, -0.0002830400000000, -0.0006508900000000 ] - [ 0.0012240300000000, 0.0004767500000000, 0.0047706800000000 ] - [ 0.0015460500000000, 0.0017301700000000, 0.0047398900000000 ] - [ -0.0011845300000000, 0.0002621000000000, 0.0000729600000000 ] - [ -0.0010313600000000, 0.0031286600000000, 0.0047986900000000 ] - [ 0.0005772100000000, 0.0022564800000000, -0.0019547800000000 ] - [ -0.0198973800000000, 0.0833779100000000, -0.1062386700000000 ] - [ -0.0017986800000000, -0.0054412300000000, -0.0019777000000000 ] - [ -0.0048452000000000, 0.0071157200000000, -0.0035391100000000 ] - [ -0.0004732800000000, 0.0008661600000000, 0.0017642900000000 ] - [ -0.0006500900000000, -0.0031704900000000, 0.0012079700000000 ] - [ 0.0036648200000000, -0.0043584800000000, -0.0001448200000000 ] - [ 0.0011960000000000, 0.0013722600000000, 0.0002771800000000 ] - [ 0.0008538100000000, 0.0022887900000000, 0.0019851000000000 ] - [ 0.0009296900000000, 0.0005604300000000, 0.0018524600000000 ] - [ -0.0031838100000000, -0.0019333200000000, -0.0029857200000000 ] - [ 0.0004322700000000, -0.0014465200000000, 0.0000047800000000 ] - [ 0.0014700600000000, -0.0006431900000000, 0.0038010200000000 ] - [ 0.0011494900000000, -0.0009376600000000, 0.0018764300000000 ] - [ -0.0009516600000000, 0.0036753500000000, 0.0004797200000000 ] - [ 0.0005576700000000, -0.0136464700000000, -0.0082527200000000 ] - [ 0.0003407800000000, 0.0004715600000000, -0.0003582700000000 ] - [ 0.0008869300000000, 0.0029626600000000, -0.0014722900000000 ] - [ 0.0086909000000000, -0.0958313600000000, 0.2411502200000000 ] - [ 0.0002513000000000, -0.0010259400000000, 0.0037896600000000 ] - [ 0.0009916800000000, 0.0000613600000000, -0.0031715000000000 ] - [ 0.0007291000000000, -0.0005919900000000, 0.0007516900000000 ] - [ 0.0011113500000000, 0.0104776100000000, 0.0038473900000000 ] - [ -0.0011722600000000, -0.0010864000000000, 0.0025274700000000 ] - [ -0.0008330000000000, -0.0002343900000000, -0.0026940300000000 ] - [ -0.0008152200000000, 0.0008187600000000, -0.0014359000000000 ] - [ 0.0000867100000000, -0.0004087000000000, -0.0008702700000000 ] - [ -0.0001920800000000, -0.0020923100000000, -0.0012782700000000 ] - [ 0.0007016700000000, -0.0066643500000000, 0.0017489200000000 ] - [ 0.0022624400000000, 0.0099652000000000, 0.0016601200000000 ] - [ 0.0036054400000000, 0.0010235900000000, 0.0007111800000000 ] - [ 0.0032506800000000, -0.0016761800000000, 0.0013637100000000 ] - [ 0.0011378300000000, -0.0007218200000000, -0.0007204600000000 ] - [ 0.0013322900000000, 0.0005794100000000, -0.0010196000000000 ] - [ 0.0122387100000000, 0.0001408800000000, 0.0014368400000000 ] - [ 0.0013938600000000, -0.0000080900000000, 0.0019801200000000 ] - [ -0.0010607900000000, -0.0008422300000000, -0.0041453300000000 ] - [ 0.0010767000000000, -0.0001039400000000, 0.0007419100000000 ] - [ 0.0014698300000000, 0.0093257700000000, -0.0012108500000000 ] - [ 0.0011220100000000, -0.0017916500000000, 0.0010949200000000 ] - [ 0.0013207700000000, -0.0015476700000000, -0.0012445600000000 ] - [ 0.0005464900000000, 0.0019111400000000, 0.0009586500000000 ] - [ 0.0042245200000000, -0.0047453800000000, -0.0104690000000000 ] - [ -0.0008373900000000, -0.0002708000000000, -0.0003394700000000 ] - [ -0.0096661300000000, -0.0032575900000000, -0.0448361200000000 ] - [ -0.0012694300000000, -0.0000520500000000, -0.0001946300000000 ] - [ 0.0018092600000000, 0.0005163100000000, -0.0004336100000000 ] - [ 0.0030670800000000, -0.0008008500000000, -0.0016952900000000 ] - [ 0.0010801200000000, -0.0000030800000000, 0.0008736400000000 ] - [ -0.0063136100000000, 0.0043809000000000, 0.0016525600000000 ] - [ 0.0020920300000000, 0.0010447500000000, -0.0006419400000000 ] - [ 0.0013863000000000, -0.0001563900000000, 0.0005071300000000 ] - [ -0.0028789800000000, -0.0027735000000000, 0.0034285100000000 ] - [ 0.0007361700000000, 0.0010241300000000, 0.0021678600000000 ] - [ -0.0006542900000000, 0.0001710500000000, 0.0005197900000000 ] - [ -0.0011943600000000, -0.0000490100000000, 0.0009764200000000 ] - [ -0.0014789000000000, -0.0003201500000000, -0.0028313400000000 ] - [ -0.0012589900000000, -0.0000541200000000, -0.0028362400000000 ] - [ -0.0012400400000000, -0.0004364100000000, 0.0026446800000000 ] - [ -0.0015154600000000, -0.0000550600000000, 0.0004850700000000 ] - [ -0.0017356300000000, -0.0002256400000000, -0.0021452500000000 ] - [ -0.0017315100000000, -0.0001984500000000, -0.0008079500000000 ] - [ 0.0011255000000000, 0.0004774100000000, 0.0010778100000000 ] - [ 0.0006778900000000, 0.0005224700000000, 0.0031501800000000 ] - [ 0.0009824700000000, 0.0000824400000000, -0.0008706400000000 ] - [ 0.0009408600000000, -0.0002622000000000, -0.0019323200000000 ] - [ -0.0012002500000000, 0.0006471400000000, 0.0002525400000000 ] - [ -0.0012982100000000, -0.0014165400000000, 0.0002339000000000 ] - [ -0.0005081200000000, -0.0013913200000000, -0.0031868100000000 ] - [ -0.0003864600000000, -0.0006331500000000, -0.0031478900000000 ] - [ -0.0012721500000000, 0.0007613200000000, -0.0011203700000000 ] - [ -0.0013746400000000, -0.0010011800000000, -0.0010435500000000 ] - [ -0.0012096500000000, -0.0002021600000000, -0.0018634000000000 ] - [ -0.0018625000000000, 0.0014282000000000, -0.0029898000000000 ] - [ -0.0020502500000000, 0.0016123400000000, -0.0000306300000000 ] - [ -0.0016592300000000, -0.0000156600000000, 0.0000819500000000 ] - [ -0.0021058000000000, -0.0009311900000000, -0.0013059900000000 ] - [ -0.0016022000000000, 0.0006645200000000, -0.0007571400000000 ] - [ 0.0049787700000000, -0.0018068800000000, 0.0016400900000000 ] - [ 0.0005305100000000, 0.0020619200000000, 0.0003013800000000 ] - [ -0.0004562300000000, 0.0013268700000000, -0.0014757100000000 ] - [ -0.0001397800000000, 0.0011372000000000, -0.0006781900000000 ] - [ 0.0006699100000000, 0.0013923000000000, -0.0009284500000000 ] - [ 0.0007196600000000, -0.0009014500000000, -0.0003312600000000 ] - [ 0.0010900300000000, -0.0008169200000000, 0.0000170300000000 ] - [ 0.0009648200000000, 0.0004357900000000, -0.0003534100000000 ] - [ -0.0006989800000000, 0.0011889000000000, -0.0024757700000000 ] - [ -0.0011909800000000, 0.0005157100000000, -0.0039723600000000 ] - [ -0.0002727800000000, 0.0005795200000000, -0.0016544100000000 ] - [ 0.0017873800000000, 0.0014387700000000, -0.0015530400000000 ] - [ -0.0084117700000000, 0.0023759100000000, -0.0041727300000000 ] - [ -0.0001072300000000, -0.0013214400000000, 0.0000580800000000 ] - [ 0.0012471400000000, -0.0017359700000000, -0.0007988500000000 ] - [ 0.0000161800000000, -0.0011122800000000, -0.0004927600000000 ]- atom: 57 displacement: [ 0.0099846139444728, 0.0000000000000000, 0.0005545127409173 ] forces: - [ -0.0000340900000000, -0.0011560900000000, -0.0036054400000000 ] - [ -0.0008233000000000, -0.0011476900000000, -0.0025108300000000 ] - [ 0.0140459000000000, 0.0041117400000000, -0.0107013200000000 ] - [ -0.0008797800000000, -0.0010674800000000, -0.0023533100000000 ] - [ 0.0122220500000000, -0.0016129100000000, -0.0028225800000000 ] - [ 0.0003965500000000, 0.0025866900000000, -0.0024536500000000 ] - [ -0.0011657800000000, 0.0003156800000000, -0.0014770700000000 ] - [ -0.0009870700000000, 0.0013306100000000, -0.0021985200000000 ] - [ 0.0302016800000000, -0.0010798000000000, -0.0041075600000000 ] - [ 0.0020570200000000, -0.0006134200000000, -0.0012180000000000 ] - [ 0.0022488700000000, -0.0002664900000000, -0.0008473000000000 ] - [ 0.0017592700000000, -0.0004126300000000, -0.0010358900000000 ] - [ -0.0041148300000000, -0.0058967800000000, -0.0007430600000000 ] - [ -0.0026955200000000, 0.0033332100000000, 0.0002447500000000 ] - [ -0.0016413900000000, -0.0004894100000000, 0.0012544700000000 ] - [ -0.0015670200000000, -0.0002558200000000, 0.0009984600000000 ] - [ 0.0013706300000000, 0.0009852900000000, 0.0022196100000000 ] - [ 0.0018502300000000, -0.0009008700000000, -0.0002438500000000 ] - [ 0.0031726600000000, 0.0025666800000000, -0.0031259600000000 ] - [ 0.0021872800000000, -0.0000867300000000, -0.0013424100000000 ] - [ -0.0046608600000000, 0.0008897600000000, 0.0051217400000000 ] - [ -0.0017456700000000, 0.0006031800000000, 0.0014860100000000 ] - [ -0.0018616400000000, -0.0017276400000000, -0.0023751900000000 ] - [ -0.0013598200000000, 0.0004849800000000, 0.0010312100000000 ] - [ -0.0023639200000000, 0.0009563000000000, 0.0010076200000000 ] - [ -0.0005308000000000, -0.0022411600000000, 0.0024643300000000 ] - [ 0.0002456700000000, -0.0011179900000000, 0.0023516100000000 ] - [ 0.0005421100000000, -0.0010614600000000, 0.0021991600000000 ] - [ -0.0055866100000000, 0.0021057400000000, 0.0038174400000000 ] - [ 0.0000756900000000, 0.0011870600000000, 0.0024226100000000 ] - [ 0.0004355400000000, 0.0011677000000000, 0.0019772700000000 ] - [ 0.0008397200000000, 0.0009452400000000, 0.0023130700000000 ] - [ 0.0001138800000000, 0.0010597600000000, -0.0006838400000000 ] - [ -0.0005564900000000, 0.0005115800000000, -0.0010757400000000 ] - [ 0.0032510900000000, 0.0037595300000000, -0.0004915100000000 ] - [ 0.0005318100000000, -0.0009145700000000, 0.0005574400000000 ] - [ 0.0260546400000000, 0.0041400500000000, -0.0047727000000000 ] - [ 0.0002989300000000, -0.0013836700000000, -0.0009515700000000 ] - [ 0.0003104700000000, 0.0001477700000000, 0.0004473600000000 ] - [ -0.0007091300000000, -0.0010978500000000, -0.0007625500000000 ] - [ -0.0058120400000000, 0.0001146700000000, -0.0027882300000000 ] - [ 0.0003873400000000, 0.0009976300000000, 0.0008756900000000 ] - [ -0.0001414300000000, 0.0010845800000000, 0.0006295300000000 ] - [ 0.0007471800000000, 0.0010165800000000, 0.0008674200000000 ] - [ -0.0046877800000000, -0.0021745800000000, 0.0005995900000000 ] - [ 0.0000875200000000, -0.0010536200000000, 0.0006507300000000 ] - [ 0.0003565200000000, -0.0010478700000000, 0.0004934600000000 ] - [ 0.0006452800000000, -0.0008561100000000, 0.0007534100000000 ] - [ -0.0012793000000000, -0.0046657000000000, 0.0030484700000000 ] - [ 0.0000274900000000, 0.0030541400000000, 0.0002510800000000 ] - [ 0.0002022900000000, 0.0007019800000000, -0.0001607200000000 ] - [ 0.0001777300000000, 0.0015260500000000, 0.0001502900000000 ] - [ -0.0009196400000000, 0.0058923700000000, -0.0008344400000000 ] - [ 0.0001931500000000, -0.0016353000000000, 0.0018314300000000 ] - [ 0.0005984400000000, -0.0003824500000000, 0.0018301100000000 ] - [ 0.0005200800000000, -0.0008824300000000, 0.0017536000000000 ] - [ -0.0920451100000000, -0.0096093100000000, 0.0160862400000000 ] - [ -0.0014785300000000, 0.0000931700000000, -0.0000607900000000 ] - [ -0.0016657400000000, 0.0000929200000000, -0.0005664500000000 ] - [ -0.0010832400000000, 0.0002032200000000, -0.0000783400000000 ] - [ -0.0001820800000000, -0.0017402700000000, 0.0004458500000000 ] - [ -0.0000244000000000, -0.0011574500000000, 0.0002502400000000 ] - [ 0.0013261900000000, -0.0072855800000000, -0.0041619700000000 ] - [ 0.0004181700000000, -0.0002809100000000, -0.0001096000000000 ] - [ 0.0136795800000000, 0.0154403300000000, -0.0140903900000000 ] - [ 0.0010238800000000, -0.0007796700000000, -0.0000483200000000 ] - [ 0.0007368100000000, -0.0003377600000000, 0.0002774500000000 ] - [ 0.0014345100000000, -0.0002442500000000, 0.0001598000000000 ] - [ 0.0031501300000000, -0.0109226900000000, -0.0036475700000000 ] - [ 0.0002816300000000, 0.0012472100000000, 0.0010516600000000 ] - [ 0.0005484000000000, -0.0001900400000000, 0.0014656800000000 ] - [ 0.0009852200000000, -0.0000741000000000, 0.0012801500000000 ] - [ -0.0078391400000000, 0.0013632100000000, 0.0112897900000000 ] - [ 0.0004111500000000, 0.0008049500000000, 0.0020856800000000 ] - [ 0.0012232300000000, -0.0013651700000000, -0.0028031100000000 ] - [ 0.0006290400000000, 0.0008334800000000, 0.0017166800000000 ] - [ -0.0027998100000000, 0.0002013000000000, 0.0008617800000000 ] - [ -0.0017338600000000, -0.0001952800000000, 0.0001098500000000 ] - [ -0.0026763300000000, 0.0017269900000000, -0.0016334500000000 ] - [ -0.0017114400000000, -0.0007405800000000, -0.0003288300000000 ] - [ 0.0012100100000000, 0.0005951400000000, -0.0004926300000000 ] - [ 0.0011873600000000, 0.0002273500000000, 0.0000176400000000 ] - [ -0.0001825600000000, 0.0012698200000000, 0.0009761400000000 ] - [ -0.0000383600000000, 0.0002170200000000, 0.0000867200000000 ] - [ 0.0002198400000000, -0.0001728900000000, 0.0003897900000000 ] - [ 0.0010513800000000, 0.0002464600000000, 0.0011596900000000 ] - [ -0.0015199900000000, -0.0022563700000000, 0.0133246000000000 ] - [ 0.0008234400000000, 0.0001436900000000, 0.0013703100000000 ] - [ 0.0030911100000000, 0.0059232200000000, 0.0026685600000000 ] - [ -0.0010326200000000, -0.0008145700000000, -0.0008528600000000 ] - [ -0.0007164800000000, -0.0001691800000000, -0.0020546200000000 ] - [ -0.0011235200000000, -0.0001330100000000, -0.0013843400000000 ] - [ 0.0014969800000000, -0.0050969000000000, 0.0043098100000000 ] - [ -0.0012561400000000, 0.0002641600000000, 0.0002533100000000 ] - [ -0.0012361400000000, -0.0002924600000000, -0.0004051900000000 ] - [ -0.0014688700000000, -0.0001941100000000, -0.0002882000000000 ] - [ 0.0025452200000000, 0.0000097600000000, -0.0001231100000000 ] - [ 0.0025538100000000, 0.0000601000000000, -0.0003305300000000 ] - [ 0.0011397000000000, 0.0001846400000000, 0.0001380000000000 ] - [ 0.0011434300000000, 0.0002242100000000, 0.0001576600000000 ] - [ 0.0052785200000000, -0.0026402000000000, -0.0005119300000000 ] - [ -0.0003341700000000, -0.0007019400000000, -0.0019736400000000 ] - [ -0.0003391300000000, -0.0007396600000000, -0.0016548600000000 ] - [ -0.0005448100000000, -0.0007844400000000, -0.0017668800000000 ] - [ 0.0017053000000000, 0.0015661300000000, -0.0019825000000000 ] - [ -0.0001056000000000, -0.0005490700000000, -0.0018100400000000 ] - [ -0.0010362700000000, 0.0007062300000000, -0.0008402500000000 ] - [ -0.0009131500000000, -0.0004157200000000, -0.0008803300000000 ] - [ 0.0023865800000000, 0.0001732300000000, -0.0025544700000000 ] - [ -0.0013481500000000, 0.0004146400000000, -0.0002034800000000 ] - [ -0.0011187000000000, 0.0001776200000000, 0.0005899600000000 ] - [ -0.0015945500000000, 0.0002952100000000, -0.0001576300000000 ] - [ 0.0040574000000000, 0.0026933500000000, -0.0006647300000000 ] - [ 0.0003175500000000, 0.0013638600000000, -0.0001716600000000 ] - [ 0.0003042300000000, 0.0012970100000000, 0.0000202000000000 ] - [ 0.0000702500000000, 0.0013486300000000, -0.0001564800000000 ] - [ 0.0025352000000000, -0.0001463400000000, 0.0009441500000000 ] - [ 0.0012357100000000, -0.0001515400000000, 0.0000337900000000 ] - [ 0.0021413400000000, -0.0002672700000000, 0.0003809800000000 ] - [ 0.0011287700000000, -0.0001935200000000, 0.0000368100000000 ] - [ -0.0002715600000000, 0.0006214900000000, -0.0013778100000000 ] - [ -0.0004551400000000, 0.0011124600000000, -0.0015428200000000 ] - [ 0.0000847100000000, 0.0005111900000000, -0.0018020700000000 ] - [ 0.0003360800000000, 0.0007443800000000, -0.0016336400000000 ] - [ 0.0028520600000000, 0.0002814500000000, 0.0017835100000000 ] - [ 0.0003907700000000, -0.0017165800000000, -0.0001705100000000 ] - [ 0.0005715700000000, -0.0013114600000000, -0.0001743900000000 ] - [ 0.0001385300000000, -0.0013569800000000, -0.0001977800000000 ]- atom: 57 displacement: [ -0.0099846139444728, 0.0000000000000000, -0.0005545127409173 ] forces: - [ -0.0019539100000000, -0.0009733900000000, -0.0012874500000000 ] - [ -0.0011594400000000, -0.0009824300000000, -0.0024307500000000 ] - [ -0.0160277700000000, -0.0061251000000000, 0.0053715800000000 ] - [ -0.0010968600000000, -0.0010662800000000, -0.0026050800000000 ] - [ -0.0142357700000000, 0.0038683500000000, -0.0021499200000000 ] - [ -0.0023837000000000, -0.0004809700000000, -0.0025050000000000 ] - [ -0.0008071400000000, 0.0018229900000000, -0.0034637600000000 ] - [ -0.0009949900000000, 0.0008009300000000, -0.0027497000000000 ] - [ -0.0292625400000000, 0.0007813900000000, 0.0014266900000000 ] - [ 0.0013285600000000, -0.0001023800000000, -0.0010246200000000 ] - [ 0.0011344300000000, -0.0004379000000000, -0.0013919200000000 ] - [ 0.0016241600000000, -0.0002966700000000, -0.0012115100000000 ] - [ 0.0007144300000000, 0.0052143500000000, 0.0029568700000000 ] - [ -0.0006977300000000, -0.0040826000000000, 0.0019882900000000 ] - [ -0.0017489800000000, -0.0002235000000000, 0.0009878500000000 ] - [ -0.0018261100000000, -0.0004532800000000, 0.0012401400000000 ] - [ 0.0019985800000000, -0.0002737500000000, -0.0044895000000000 ] - [ 0.0015375000000000, 0.0016044700000000, -0.0019978500000000 ] - [ 0.0002020900000000, -0.0018662200000000, 0.0009141100000000 ] - [ 0.0012028900000000, 0.0007976200000000, -0.0008974100000000 ] - [ 0.0012607400000000, -0.0001701600000000, -0.0028841000000000 ] - [ -0.0016442900000000, 0.0001023400000000, 0.0007512500000000 ] - [ -0.0015465800000000, 0.0024451900000000, 0.0046461100000000 ] - [ -0.0020239300000000, 0.0002163200000000, 0.0012182600000000 ] - [ 0.0043831700000000, -0.0030718000000000, 0.0039371800000000 ] - [ 0.0025312700000000, 0.0001030100000000, 0.0024860100000000 ] - [ 0.0017456400000000, -0.0010092400000000, 0.0026014700000000 ] - [ 0.0014350500000000, -0.0010870900000000, 0.0027657500000000 ] - [ 0.0075998300000000, 0.0000704900000000, 0.0011408600000000 ] - [ 0.0019076500000000, 0.0009269400000000, 0.0025333000000000 ] - [ 0.0015430000000000, 0.0009731100000000, 0.0029913500000000 ] - [ 0.0011471600000000, 0.0011801600000000, 0.0026265100000000 ] - [ -0.0019069400000000, 0.0008657300000000, -0.0012477300000000 ] - [ -0.0012325400000000, 0.0014376300000000, -0.0008523800000000 ] - [ -0.0050387200000000, -0.0018321200000000, -0.0014700500000000 ] - [ -0.0023326200000000, 0.0028582400000000, -0.0025084400000000 ] - [ -0.0277917900000000, -0.0057035500000000, 0.0024269000000000 ] - [ -0.0021003600000000, -0.0005431800000000, -0.0009888900000000 ] - [ -0.0020974100000000, -0.0020996200000000, -0.0023795300000000 ] - [ -0.0010760300000000, -0.0008462700000000, -0.0011723400000000 ] - [ 0.0076179700000000, 0.0018290800000000, 0.0046916300000000 ] - [ 0.0014011200000000, 0.0009434300000000, 0.0010588300000000 ] - [ 0.0019350600000000, 0.0008517000000000, 0.0013205200000000 ] - [ 0.0010379900000000, 0.0009263000000000, 0.0010724500000000 ] - [ 0.0065248600000000, 0.0002044300000000, 0.0013427300000000 ] - [ 0.0017021100000000, -0.0008878400000000, 0.0012870600000000 ] - [ 0.0014402000000000, -0.0008879700000000, 0.0014429500000000 ] - [ 0.0011437300000000, -0.0010950200000000, 0.0011878800000000 ] - [ 0.0012391700000000, 0.0073043300000000, -0.0026381500000000 ] - [ -0.0000289100000000, -0.0004834500000000, 0.0001754500000000 ] - [ -0.0002185700000000, 0.0019016100000000, 0.0005639500000000 ] - [ -0.0001819300000000, 0.0010908700000000, 0.0002441600000000 ] - [ 0.0021457400000000, -0.0074876700000000, 0.0045803000000000 ] - [ 0.0010753500000000, -0.0000186600000000, 0.0019620800000000 ] - [ 0.0006506600000000, -0.0012155600000000, 0.0018919500000000 ] - [ 0.0007365600000000, -0.0007451800000000, 0.0019875600000000 ] - [ 0.0925236000000000, 0.0091339700000000, -0.0146461400000000 ] - [ -0.0005075900000000, 0.0002738000000000, 0.0001242200000000 ] - [ -0.0003153500000000, 0.0002841200000000, 0.0005983900000000 ] - [ -0.0009064500000000, 0.0001661400000000, 0.0001259600000000 ] - [ 0.0002021900000000, -0.0008220200000000, -0.0000476100000000 ] - [ 0.0000224200000000, -0.0014382600000000, 0.0001550700000000 ] - [ -0.0013401300000000, 0.0047162900000000, 0.0045711100000000 ] - [ -0.0004312400000000, -0.0023215200000000, 0.0005281300000000 ] - [ -0.0104768600000000, -0.0161190800000000, 0.0146836200000000 ] - [ 0.0022301900000000, 0.0003047000000000, 0.0004803600000000 ] - [ 0.0025257900000000, -0.0001450000000000, 0.0001379700000000 ] - [ 0.0018236500000000, -0.0002312400000000, 0.0002593200000000 ] - [ -0.0007239500000000, 0.0107277900000000, 0.0064435400000000 ] - [ 0.0021302100000000, -0.0015507200000000, 0.0016804400000000 ] - [ 0.0018590200000000, -0.0001082800000000, 0.0012399400000000 ] - [ 0.0014253900000000, -0.0002292800000000, 0.0014435100000000 ] - [ 0.0090391500000000, 0.0002168300000000, -0.0077790400000000 ] - [ 0.0008375800000000, 0.0007957800000000, 0.0016433700000000 ] - [ 0.0000300700000000, 0.0029643300000000, 0.0065397300000000 ] - [ 0.0006120100000000, 0.0007737000000000, 0.0020169400000000 ] - [ 0.0008322200000000, -0.0005931500000000, -0.0008305500000000 ] - [ -0.0002499200000000, -0.0001841700000000, -0.0000689500000000 ] - [ 0.0006808500000000, -0.0020694700000000, 0.0017030900000000 ] - [ -0.0002767300000000, 0.0003317100000000, 0.0003450200000000 ] - [ 0.0020195100000000, -0.0001125700000000, 0.0009096900000000 ] - [ 0.0020586800000000, 0.0002591700000000, 0.0004124700000000 ] - [ 0.0033903000000000, -0.0007852100000000, -0.0005491100000000 ] - [ 0.0033130000000000, 0.0002678700000000, 0.0003417300000000 ] - [ 0.0021950800000000, 0.0004727200000000, 0.0023307300000000 ] - [ 0.0013594800000000, 0.0000549400000000, 0.0015599500000000 ] - [ 0.0039865800000000, 0.0025459400000000, -0.0106608900000000 ] - [ 0.0015824400000000, 0.0001547600000000, 0.0013554900000000 ] - [ -0.0055107600000000, -0.0063277100000000, -0.0054265900000000 ] - [ -0.0013722500000000, 0.0005307600000000, -0.0018700500000000 ] - [ -0.0016810200000000, -0.0001239100000000, -0.0006726200000000 ] - [ -0.0012798100000000, -0.0001611000000000, -0.0013379800000000 ] - [ -0.0047452200000000, 0.0047009000000000, -0.0047973300000000 ] - [ -0.0020009500000000, -0.0007438500000000, -0.0006754100000000 ] - [ -0.0020153200000000, -0.0001919200000000, -0.0000195000000000 ] - [ -0.0018058200000000, -0.0002909300000000, -0.0001463000000000 ] - [ -0.0005531100000000, 0.0003373800000000, 0.0000806900000000 ] - [ -0.0005663400000000, 0.0003437800000000, 0.0003142200000000 ] - [ 0.0008507000000000, 0.0001703400000000, -0.0002102000000000 ] - [ 0.0008499200000000, 0.0001510700000000, -0.0002135700000000 ] - [ -0.0064856900000000, 0.0010177400000000, -0.0031779900000000 ] - [ -0.0009154000000000, -0.0008792300000000, -0.0017493500000000 ] - [ -0.0009131000000000, -0.0008706300000000, -0.0021062700000000 ] - [ -0.0007016500000000, -0.0008191000000000, -0.0019795400000000 ] - [ -0.0041097000000000, -0.0012646600000000, -0.0007369500000000 ] - [ -0.0023029500000000, 0.0008504900000000, -0.0009005300000000 ] - [ -0.0013623200000000, -0.0004161600000000, -0.0018829400000000 ] - [ -0.0014921500000000, 0.0007210500000000, -0.0018510300000000 ] - [ -0.0056768000000000, 0.0002969200000000, 0.0021804800000000 ] - [ -0.0019261400000000, 0.0000724500000000, -0.0002255500000000 ] - [ -0.0021307100000000, 0.0003014000000000, -0.0010271000000000 ] - [ -0.0016596000000000, 0.0001801500000000, -0.0002695400000000 ] - [ -0.0040842500000000, -0.0001263100000000, 0.0002439000000000 ] - [ -0.0003099300000000, 0.0012438600000000, -0.0002280000000000 ] - [ -0.0003151000000000, 0.0012837300000000, -0.0004490700000000 ] - [ -0.0000475100000000, 0.0012824900000000, -0.0002603300000000 ] - [ -0.0005570600000000, -0.0002188700000000, -0.0010043400000000 ] - [ 0.0007479300000000, -0.0002125700000000, -0.0000838600000000 ] - [ -0.0001498400000000, -0.0001049000000000, -0.0004442800000000 ] - [ 0.0008654000000000, -0.0001653700000000, -0.0000975300000000 ] - [ -0.0009783500000000, 0.0009522800000000, -0.0023541400000000 ] - [ -0.0008040300000000, 0.0005041500000000, -0.0022060300000000 ] - [ -0.0013272200000000, 0.0010792000000000, -0.0019337600000000 ] - [ -0.0015957500000000, 0.0009126800000000, -0.0021345700000000 ] - [ -0.0028423300000000, -0.0028817800000000, -0.0021591400000000 ] - [ -0.0003719600000000, -0.0009090600000000, -0.0002379900000000 ] - [ -0.0005680100000000, -0.0012813800000000, -0.0002501100000000 ] - [ -0.0001381000000000, -0.0012501000000000, -0.0002212500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017444300000000, 0.0014379500000000, -0.0007017200000000 ] - [ -0.0008984500000000, -0.0027187400000000, -0.0022270300000000 ] - [ 0.0024969500000000, 0.0164244900000000, -0.0083266800000000 ] - [ -0.0007670600000000, -0.0040972700000000, -0.0028790100000000 ] - [ -0.0011819700000000, 0.0090543800000000, -0.0064893300000000 ] - [ -0.0019252800000000, -0.0062913000000000, -0.0027543900000000 ] - [ -0.0015167800000000, 0.0011063700000000, -0.0010544600000000 ] - [ -0.0007461100000000, 0.0005145000000000, -0.0025712700000000 ] - [ 0.0015076200000000, 0.0178307800000000, -0.0026048700000000 ] - [ 0.0015459900000000, -0.0030257100000000, -0.0016995100000000 ] - [ 0.0019286900000000, 0.0009216500000000, -0.0002805500000000 ] - [ 0.0016675500000000, -0.0013799000000000, -0.0008668800000000 ] - [ -0.0054182900000000, -0.0040562700000000, -0.0031469100000000 ] - [ 0.0005673300000000, -0.0036833100000000, 0.0026481400000000 ] - [ -0.0016908700000000, -0.0002901000000000, 0.0019275800000000 ] - [ -0.0015285200000000, -0.0006629600000000, 0.0013194900000000 ] - [ 0.0035146100000000, 0.0024761500000000, -0.0043290000000000 ] - [ 0.0014083400000000, -0.0021400300000000, 0.0000986700000000 ] - [ 0.0027751200000000, 0.0002531000000000, 0.0008421900000000 ] - [ 0.0013049300000000, -0.0008699200000000, -0.0020664800000000 ] - [ -0.0048647900000000, 0.0031463000000000, 0.0058623700000000 ] - [ -0.0015764500000000, -0.0013929400000000, 0.0005025400000000 ] - [ -0.0018346500000000, 0.0031086500000000, 0.0005520000000000 ] - [ -0.0014336300000000, -0.0012352700000000, 0.0018141500000000 ] - [ 0.0062208000000000, -0.0014688200000000, 0.0033238400000000 ] - [ -0.0003877000000000, -0.0024527500000000, 0.0013827500000000 ] - [ 0.0009315100000000, -0.0007953600000000, 0.0023141900000000 ] - [ 0.0008939300000000, -0.0014500000000000, 0.0030936800000000 ] - [ 0.0032648700000000, 0.0033569900000000, 0.0015376100000000 ] - [ 0.0001477800000000, -0.0006323700000000, 0.0025448200000000 ] - [ 0.0011558100000000, 0.0021806900000000, 0.0037237600000000 ] - [ 0.0008686100000000, 0.0001102300000000, 0.0022472100000000 ] - [ -0.0009563200000000, 0.0006825500000000, 0.0010542000000000 ] - [ -0.0009099400000000, -0.0004127600000000, -0.0026366100000000 ] - [ -0.0009943600000000, -0.0033566100000000, -0.0039512500000000 ] - [ 0.0009941900000000, -0.0035346000000000, 0.0048417100000000 ] - [ 0.0038561000000000, 0.0714175100000000, -0.0551717700000000 ] - [ 0.0003833000000000, -0.0051443300000000, -0.0012848700000000 ] - [ -0.0004849200000000, 0.0011226300000000, -0.0002174900000000 ] - [ -0.0008774400000000, -0.0019677400000000, -0.0006052600000000 ] - [ 0.0001556200000000, 0.0057263800000000, 0.0008333100000000 ] - [ 0.0010792800000000, -0.0014914400000000, 0.0007147800000000 ] - [ 0.0008621800000000, 0.0021077800000000, 0.0012422800000000 ] - [ 0.0008627400000000, 0.0000675200000000, 0.0011850000000000 ] - [ 0.0000674600000000, -0.0009415300000000, 0.0015990200000000 ] - [ 0.0007441700000000, -0.0022486200000000, 0.0001684000000000 ] - [ 0.0010804300000000, -0.0000287500000000, 0.0005240000000000 ] - [ 0.0008648200000000, -0.0021652800000000, 0.0020276600000000 ] - [ -0.0058522500000000, 0.0130073900000000, -0.0063012400000000 ] - [ 0.0001191500000000, 0.0074838700000000, 0.0001203700000000 ] - [ 0.0001910200000000, 0.0005353300000000, 0.0002957100000000 ] - [ -0.0000324900000000, 0.0018418200000000, -0.0000572700000000 ] - [ 0.0060663300000000, 0.0145651200000000, -0.0076771400000000 ] - [ 0.0005358500000000, 0.0011415900000000, 0.0031701900000000 ] - [ 0.0008093700000000, -0.0012731100000000, 0.0023165400000000 ] - [ 0.0005774300000000, -0.0002865800000000, 0.0012075100000000 ] - [ -0.0154357100000000, -0.1306926400000000, 0.0887071200000000 ] - [ -0.0010855000000000, 0.0023524600000000, 0.0001106600000000 ] - [ -0.0010054400000000, -0.0000446100000000, -0.0012905600000000 ] - [ -0.0009781800000000, 0.0006991100000000, -0.0002131600000000 ] - [ -0.0000785100000000, -0.0019957000000000, -0.0006070400000000 ] - [ 0.0001464300000000, -0.0004102500000000, 0.0004652600000000 ] - [ -0.0047610400000000, 0.0003142600000000, 0.0062353000000000 ] - [ 0.0009077800000000, 0.0023280200000000, -0.0007395000000000 ] - [ 0.0213319000000000, 0.0055296200000000, -0.0109056500000000 ] - [ 0.0014229700000000, 0.0013027800000000, 0.0003761100000000 ] - [ 0.0012709200000000, -0.0009025000000000, -0.0001418300000000 ] - [ 0.0017241800000000, 0.0002052200000000, -0.0000240900000000 ] - [ -0.0098351300000000, 0.0071752100000000, 0.0049282700000000 ] - [ 0.0017995100000000, 0.0019696300000000, 0.0017236300000000 ] - [ 0.0009777700000000, -0.0004488000000000, 0.0005583400000000 ] - [ 0.0011801100000000, 0.0001990300000000, 0.0014633500000000 ] - [ 0.0002890100000000, -0.0107433500000000, -0.0013838000000000 ] - [ 0.0005503700000000, 0.0030671300000000, 0.0020003000000000 ] - [ 0.0012508200000000, -0.0023799400000000, -0.0026062200000000 ] - [ 0.0005387400000000, 0.0016019700000000, 0.0017432600000000 ] - [ -0.0031592300000000, -0.0006058900000000, 0.0045498900000000 ] - [ -0.0004005200000000, 0.0010795400000000, -0.0012624300000000 ] - [ -0.0012582400000000, -0.0005924500000000, -0.0024519400000000 ] - [ -0.0010540000000000, 0.0010775200000000, 0.0009487500000000 ] - [ 0.0018009000000000, 0.0003894200000000, -0.0007681800000000 ] - [ 0.0012552200000000, 0.0008331900000000, 0.0005935900000000 ] - [ 0.0025380500000000, 0.0011947600000000, 0.0025135800000000 ] - [ 0.0003002300000000, 0.0014535500000000, -0.0012901300000000 ] - [ 0.0011411800000000, -0.0020056900000000, 0.0008249900000000 ] - [ 0.0014076500000000, 0.0013815700000000, 0.0011446300000000 ] - [ -0.0017014000000000, -0.0043648900000000, -0.0031504500000000 ] - [ 0.0012967800000000, 0.0012577800000000, 0.0014673800000000 ] - [ -0.0015383300000000, -0.0038049100000000, -0.0009075200000000 ] - [ -0.0010507700000000, 0.0016357600000000, -0.0016699400000000 ] - [ -0.0010502800000000, -0.0006979800000000, -0.0027474600000000 ] - [ -0.0011637100000000, 0.0004139000000000, -0.0012620300000000 ] - [ -0.0018089600000000, -0.0007443000000000, -0.0003964000000000 ] - [ -0.0015210600000000, 0.0008550000000000, 0.0003203100000000 ] - [ -0.0017938000000000, -0.0007384200000000, 0.0001143500000000 ] - [ -0.0017414200000000, 0.0002721100000000, -0.0007597500000000 ] - [ 0.0010897500000000, 0.0005398000000000, 0.0010511800000000 ] - [ 0.0011706600000000, 0.0005012000000000, -0.0001574300000000 ] - [ 0.0010030900000000, 0.0001598300000000, -0.0005850900000000 ] - [ 0.0009818600000000, 0.0001742500000000, -0.0000724300000000 ] - [ -0.0022037000000000, -0.0030188000000000, -0.0018763500000000 ] - [ -0.0003521500000000, 0.0006095000000000, -0.0014877200000000 ] - [ -0.0005480100000000, -0.0014201600000000, -0.0023581500000000 ] - [ -0.0005895500000000, -0.0003293900000000, -0.0019486000000000 ] - [ -0.0000726300000000, 0.0018360100000000, -0.0025764200000000 ] - [ -0.0018017400000000, 0.0010980100000000, -0.0004048900000000 ] - [ -0.0010767900000000, -0.0003109400000000, -0.0014080200000000 ] - [ -0.0013384300000000, 0.0004923500000000, -0.0017973600000000 ] - [ -0.0015581900000000, -0.0024164700000000, 0.0003537300000000 ] - [ -0.0015415500000000, 0.0014406900000000, -0.0000846300000000 ] - [ -0.0020084300000000, -0.0004197600000000, -0.0006833400000000 ] - [ -0.0014207400000000, 0.0008575100000000, -0.0002424800000000 ] - [ 0.0016431500000000, -0.0001099900000000, -0.0001341000000000 ] - [ 0.0001543200000000, 0.0025383100000000, -0.0000260900000000 ] - [ -0.0003018900000000, 0.0002774300000000, -0.0003824200000000 ] - [ 0.0001350100000000, 0.0021932100000000, -0.0003577600000000 ] - [ 0.0010333900000000, -0.0017033700000000, -0.0000605500000000 ] - [ 0.0010237700000000, 0.0007835600000000, 0.0000059900000000 ] - [ 0.0009126700000000, -0.0008735700000000, 0.0002638600000000 ] - [ 0.0009872100000000, 0.0003793900000000, -0.0003721300000000 ] - [ -0.0010857600000000, 0.0012982500000000, -0.0035734900000000 ] - [ -0.0005273400000000, 0.0008410100000000, -0.0011325000000000 ] - [ -0.0010822400000000, 0.0010298800000000, -0.0013507000000000 ] - [ -0.0002139400000000, 0.0011353100000000, -0.0024077800000000 ] - [ 0.0037138800000000, -0.0032658200000000, 0.0013794400000000 ] - [ -0.0008658000000000, 0.0006633600000000, -0.0003039900000000 ] - [ 0.0003355500000000, -0.0016761200000000, -0.0003704200000000 ] - [ -0.0001319100000000, -0.0008480500000000, -0.0002450700000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002428400000000, -0.0035870200000000, -0.0042163000000000 ] - [ -0.0010811100000000, 0.0005710300000000, -0.0027353100000000 ] - [ -0.0044299000000000, -0.0186711100000000, 0.0033385100000000 ] - [ -0.0012176900000000, 0.0019531400000000, -0.0020496100000000 ] - [ -0.0006109500000000, -0.0060340200000000, 0.0021898900000000 ] - [ -0.0000534600000000, 0.0084862000000000, -0.0021930700000000 ] - [ -0.0004481800000000, 0.0010422200000000, -0.0039221300000000 ] - [ -0.0012207500000000, 0.0016612400000000, -0.0023858500000000 ] - [ 0.0019582100000000, -0.0185460200000000, 0.0004024800000000 ] - [ 0.0018492200000000, 0.0023168900000000, -0.0005534000000000 ] - [ 0.0014623200000000, -0.0016312300000000, -0.0019902000000000 ] - [ 0.0017123800000000, 0.0006721700000000, -0.0013905200000000 ] - [ 0.0020682400000000, 0.0033493900000000, 0.0054203100000000 ] - [ -0.0039434800000000, 0.0029720300000000, -0.0003741900000000 ] - [ -0.0016947700000000, -0.0004214000000000, 0.0003204600000000 ] - [ -0.0018602400000000, -0.0000386500000000, 0.0009062600000000 ] - [ -0.0001214300000000, -0.0017561600000000, 0.0020714100000000 ] - [ 0.0019883200000000, 0.0028475500000000, -0.0023431900000000 ] - [ 0.0005992000000000, 0.0004757600000000, -0.0031088400000000 ] - [ 0.0020857200000000, 0.0015740400000000, -0.0001822000000000 ] - [ 0.0014853300000000, -0.0024437000000000, -0.0036154600000000 ] - [ -0.0018027700000000, 0.0020981000000000, 0.0017580000000000 ] - [ -0.0015592300000000, -0.0024455700000000, 0.0016833800000000 ] - [ -0.0019558600000000, 0.0019611900000000, 0.0004500100000000 ] - [ -0.0042953000000000, -0.0006781300000000, 0.0016243800000000 ] - [ 0.0023516300000000, 0.0002832800000000, 0.0035903500000000 ] - [ 0.0010353100000000, -0.0013757300000000, 0.0026314200000000 ] - [ 0.0010925000000000, -0.0006965300000000, 0.0018412300000000 ] - [ -0.0012971500000000, -0.0012076200000000, 0.0034163200000000 ] - [ 0.0018490600000000, 0.0028015500000000, 0.0024007300000000 ] - [ 0.0008115000000000, -0.0000249300000000, 0.0012244100000000 ] - [ 0.0011059000000000, 0.0020437900000000, 0.0027024600000000 ] - [ -0.0008236700000000, 0.0012513000000000, -0.0030088400000000 ] - [ -0.0008682900000000, 0.0023513800000000, 0.0006776600000000 ] - [ -0.0008097600000000, 0.0053057500000000, 0.0020406700000000 ] - [ -0.0027698900000000, 0.0054922900000000, -0.0067413700000000 ] - [ -0.0058646100000000, -0.0755089800000000, 0.0566287400000000 ] - [ -0.0021504900000000, 0.0031925400000000, -0.0006580200000000 ] - [ -0.0013016400000000, -0.0030768200000000, -0.0017360800000000 ] - [ -0.0009013600000000, 0.0000310900000000, -0.0013336500000000 ] - [ 0.0016305600000000, -0.0037747100000000, 0.0011139900000000 ] - [ 0.0007017000000000, 0.0034381100000000, 0.0012269100000000 ] - [ 0.0009218700000000, -0.0001735300000000, 0.0006940100000000 ] - [ 0.0009219700000000, 0.0018753700000000, 0.0007559900000000 ] - [ 0.0017001000000000, -0.0009802300000000, 0.0003461900000000 ] - [ 0.0010356600000000, 0.0002911200000000, 0.0017770800000000 ] - [ 0.0007054300000000, -0.0019062500000000, 0.0014102700000000 ] - [ 0.0009227000000000, 0.0002276300000000, -0.0000930300000000 ] - [ 0.0059364800000000, -0.0106006300000000, 0.0068577600000000 ] - [ -0.0001694000000000, -0.0047662000000000, 0.0002796200000000 ] - [ -0.0002066000000000, 0.0020772700000000, 0.0001107600000000 ] - [ -0.0000069700000000, 0.0008103300000000, 0.0004554700000000 ] - [ -0.0047083500000000, -0.0158882100000000, 0.0112343600000000 ] - [ 0.0007087900000000, -0.0026776600000000, 0.0005061100000000 ] - [ 0.0004511400000000, -0.0003369100000000, 0.0014394200000000 ] - [ 0.0006917600000000, -0.0012977600000000, 0.0025254000000000 ] - [ 0.0134630200000000, 0.1322661700000000, -0.0927979200000000 ] - [ -0.0009106800000000, -0.0020423400000000, -0.0000155300000000 ] - [ -0.0009772200000000, 0.0004034000000000, 0.0013375200000000 ] - [ -0.0010222800000000, -0.0003757600000000, 0.0003007800000000 ] - [ 0.0000811500000000, -0.0005838900000000, 0.0010100700000000 ] - [ -0.0001546600000000, -0.0021842100000000, -0.0000630800000000 ] - [ 0.0047525300000000, -0.0029823700000000, -0.0058824400000000 ] - [ -0.0009502000000000, -0.0049541200000000, 0.0011381600000000 ] - [ -0.0183479000000000, -0.0060245800000000, 0.0114745100000000 ] - [ 0.0018825800000000, -0.0017769200000000, 0.0000488400000000 ] - [ 0.0019887400000000, 0.0004233100000000, 0.0005683800000000 ] - [ 0.0015782700000000, -0.0006854100000000, 0.0004431800000000 ] - [ 0.0120890600000000, -0.0074105200000000, -0.0021703900000000 ] - [ 0.0005815600000000, -0.0022589400000000, 0.0009994400000000 ] - [ 0.0014079900000000, 0.0001592000000000, 0.0021672900000000 ] - [ 0.0012090200000000, -0.0004901900000000, 0.0012596700000000 ] - [ 0.0009752800000000, 0.0123561000000000, 0.0049487900000000 ] - [ 0.0006934200000000, -0.0015369300000000, 0.0016840300000000 ] - [ -0.0000001800000000, 0.0039827700000000, 0.0063480600000000 ] - [ 0.0006970300000000, -0.0000580700000000, 0.0019421600000000 ] - [ 0.0011381700000000, 0.0002268900000000, -0.0044799800000000 ] - [ -0.0015970600000000, -0.0014322900000000, 0.0013258700000000 ] - [ -0.0007422200000000, 0.0002306500000000, 0.0025436000000000 ] - [ -0.0009400700000000, -0.0013867400000000, -0.0008564800000000 ] - [ 0.0014387800000000, 0.0001015100000000, 0.0011829600000000 ] - [ 0.0019731300000000, -0.0003314700000000, -0.0001679500000000 ] - [ 0.0007716700000000, -0.0007199400000000, -0.0020965500000000 ] - [ 0.0029908600000000, -0.0009817900000000, 0.0017090600000000 ] - [ 0.0012479200000000, 0.0022962700000000, 0.0018992300000000 ] - [ 0.0009820500000000, -0.0010936200000000, 0.0015749300000000 ] - [ 0.0041464900000000, 0.0046039200000000, 0.0059676100000000 ] - [ 0.0010893900000000, -0.0009683700000000, 0.0012576900000000 ] - [ -0.0008406900000000, 0.0035375800000000, -0.0018115100000000 ] - [ -0.0013466100000000, -0.0019241800000000, -0.0010568900000000 ] - [ -0.0013360000000000, 0.0004099900000000, 0.0000260000000000 ] - [ -0.0012209600000000, -0.0007024600000000, -0.0014620400000000 ] - [ -0.0014199100000000, 0.0002171000000000, -0.0000045900000000 ] - [ -0.0017115100000000, -0.0013450200000000, -0.0007319600000000 ] - [ -0.0014451700000000, 0.0002474900000000, -0.0005294400000000 ] - [ -0.0016009100000000, -0.0007488100000000, 0.0003260100000000 ] - [ 0.0009115700000000, -0.0001712400000000, -0.0010977900000000 ] - [ 0.0008341000000000, -0.0001387500000000, 0.0001197500000000 ] - [ 0.0009918800000000, 0.0001404800000000, 0.0004675600000000 ] - [ 0.0010124300000000, 0.0001898300000000, 0.0000223100000000 ] - [ 0.0009421400000000, 0.0014306300000000, -0.0018614500000000 ] - [ -0.0008862500000000, -0.0021427400000000, -0.0021967700000000 ] - [ -0.0007139600000000, -0.0001757200000000, -0.0013952400000000 ] - [ -0.0006756000000000, -0.0012707200000000, -0.0017875800000000 ] - [ -0.0023072200000000, -0.0015451900000000, -0.0001470300000000 ] - [ -0.0005973400000000, -0.0008022300000000, -0.0023154700000000 ] - [ -0.0013087200000000, 0.0006120300000000, -0.0013124900000000 ] - [ -0.0010505600000000, -0.0002174900000000, -0.0009219400000000 ] - [ -0.0016922800000000, 0.0028990700000000, -0.0007881500000000 ] - [ -0.0017826400000000, -0.0009565900000000, -0.0003388400000000 ] - [ -0.0012330100000000, 0.0009122700000000, 0.0002701700000000 ] - [ -0.0018195300000000, -0.0003684600000000, -0.0001784800000000 ] - [ -0.0016665600000000, 0.0026788700000000, -0.0002776800000000 ] - [ -0.0001529100000000, 0.0000473200000000, -0.0003667000000000 ] - [ 0.0002981800000000, 0.0023067200000000, -0.0000297000000000 ] - [ -0.0000599100000000, 0.0005078700000000, -0.0000504300000000 ] - [ 0.0009583800000000, 0.0013506600000000, -0.0000039800000000 ] - [ 0.0009681900000000, -0.0011067900000000, -0.0000933500000000 ] - [ 0.0010787500000000, 0.0005157100000000, -0.0003043100000000 ] - [ 0.0010035600000000, -0.0007396900000000, 0.0003259900000000 ] - [ -0.0001480600000000, 0.0002117300000000, -0.0000874800000000 ] - [ -0.0007357300000000, 0.0007632600000000, -0.0026164500000000 ] - [ -0.0001784100000000, 0.0005878200000000, -0.0023991900000000 ] - [ -0.0010438800000000, 0.0004760800000000, -0.0013396100000000 ] - [ -0.0036792300000000, 0.0006474300000000, -0.0017742000000000 ] - [ 0.0009351800000000, -0.0033460600000000, -0.0000886500000000 ] - [ -0.0003266300000000, -0.0009213600000000, -0.0000379800000000 ] - [ 0.0001433300000000, -0.0017461500000000, -0.0001730700000000 ]- atom: 57 displacement: [ -0.0019782548681478, 0.0000000000000000, 0.0098023725534510 ] forces: - [ 0.0025741800000000, -0.0033543400000000, -0.0138297600000000 ] - [ -0.0008568300000000, -0.0007631300000000, -0.0034387600000000 ] - [ -0.0162734500000000, -0.0125740900000000, 0.0294862200000000 ] - [ -0.0012469600000000, -0.0008420500000000, -0.0015863600000000 ] - [ -0.0040594900000000, -0.0050169500000000, 0.0172139400000000 ] - [ -0.0010577700000000, 0.0041410800000000, -0.0005144600000000 ] - [ 0.0003306900000000, 0.0027568800000000, -0.0074969700000000 ] - [ -0.0007304400000000, 0.0004627700000000, -0.0041454200000000 ] - [ -0.0040284200000000, -0.0017587200000000, 0.0161479100000000 ] - [ 0.0017837000000000, 0.0001807200000000, 0.0004856400000000 ] - [ 0.0018611800000000, -0.0007413000000000, -0.0048515100000000 ] - [ 0.0017045400000000, -0.0002824500000000, -0.0023872900000000 ] - [ 0.0000730600000000, 0.0020703100000000, 0.0079289500000000 ] - [ -0.0011935700000000, -0.0010025500000000, 0.0044323700000000 ] - [ -0.0017486700000000, -0.0004409700000000, -0.0013205900000000 ] - [ -0.0017874300000000, 0.0000482500000000, -0.0010853800000000 ] - [ 0.0040156500000000, -0.0012429200000000, -0.0015230300000000 ] - [ 0.0019336100000000, 0.0020796200000000, -0.0017790600000000 ] - [ -0.0011177100000000, 0.0045741700000000, -0.0049910200000000 ] - [ 0.0012584500000000, -0.0007061300000000, -0.0016135100000000 ] - [ 0.0017029600000000, -0.0000221000000000, -0.0024099200000000 ] - [ -0.0014618900000000, 0.0000758900000000, 0.0009197300000000 ] - [ -0.0052811700000000, -0.0042057700000000, -0.0019007900000000 ] - [ -0.0021093100000000, 0.0014971600000000, 0.0010818500000000 ] - [ -0.0014371400000000, -0.0006164500000000, 0.0038878300000000 ] - [ 0.0001756300000000, -0.0018373500000000, 0.0040558800000000 ] - [ 0.0014571800000000, -0.0016703500000000, 0.0009972500000000 ] - [ 0.0011105800000000, -0.0003760900000000, 0.0009516000000000 ] - [ 0.0048313300000000, -0.0009658500000000, 0.0048936600000000 ] - [ 0.0018201200000000, 0.0019947500000000, 0.0035638400000000 ] - [ -0.0005301000000000, 0.0019905700000000, -0.0006971000000000 ] - [ 0.0006938600000000, 0.0008463400000000, 0.0014947000000000 ] - [ -0.0001613300000000, 0.0031135100000000, -0.0027115200000000 ] - [ -0.0005986500000000, -0.0005702300000000, -0.0031084100000000 ] - [ -0.0032166900000000, -0.0063046200000000, -0.0001879400000000 ] - [ -0.0020266700000000, 0.0053925000000000, -0.0009974900000000 ] - [ -0.0104909700000000, -0.0633266800000000, 0.0958394200000000 ] - [ -0.0000539900000000, -0.0018248500000000, -0.0000114500000000 ] - [ -0.0016963200000000, -0.0032082000000000, -0.0063152900000000 ] - [ -0.0009854000000000, -0.0002834300000000, -0.0019874700000000 ] - [ -0.0007458000000000, 0.0016335200000000, 0.0036280300000000 ] - [ 0.0008568200000000, 0.0015641900000000, 0.0015281200000000 ] - [ 0.0006184600000000, 0.0005837600000000, -0.0009522700000000 ] - [ 0.0008477400000000, 0.0009604600000000, 0.0003888200000000 ] - [ 0.0026353300000000, 0.0023310600000000, 0.0020737800000000 ] - [ 0.0014369700000000, -0.0012808400000000, 0.0023539300000000 ] - [ -0.0000700400000000, -0.0026272500000000, -0.0002112900000000 ] - [ 0.0007443400000000, -0.0004960100000000, -0.0002409900000000 ] - [ 0.0038363000000000, -0.0061364400000000, -0.0009435700000000 ] - [ 0.0004708100000000, 0.0050189300000000, -0.0010284600000000 ] - [ -0.0004951400000000, 0.0027386500000000, 0.0014584800000000 ] - [ -0.0001993400000000, 0.0006735800000000, 0.0009467600000000 ] - [ -0.0009187500000000, -0.0117034000000000, -0.0018275800000000 ] - [ 0.0009475100000000, 0.0005095700000000, -0.0006412200000000 ] - [ 0.0002544800000000, 0.0002240900000000, 0.0045615700000000 ] - [ 0.0005010500000000, -0.0015381700000000, 0.0033024000000000 ] - [ 0.0439547400000000, 0.0935523600000000, -0.2227247300000000 ] - [ -0.0009284000000000, 0.0002683300000000, -0.0012787500000000 ] - [ -0.0017347500000000, -0.0011153600000000, 0.0051627300000000 ] - [ -0.0011212900000000, -0.0000790900000000, 0.0009263000000000 ] - [ -0.0002157300000000, -0.0035197700000000, 0.0023639000000000 ] - [ 0.0002905800000000, -0.0006873400000000, 0.0006990000000000 ] - [ -0.0051538900000000, 0.0085091900000000, 0.0040971800000000 ] - [ -0.0008195800000000, -0.0036407600000000, 0.0001199100000000 ] - [ -0.0161116100000000, -0.0138938000000000, 0.0011903700000000 ] - [ 0.0013656100000000, -0.0000299900000000, -0.0003681100000000 ] - [ 0.0021024700000000, 0.0003359100000000, 0.0023348900000000 ] - [ 0.0016708000000000, -0.0005413100000000, 0.0008250700000000 ] - [ -0.0035540800000000, 0.0047520300000000, -0.0023213900000000 ] - [ 0.0009968700000000, -0.0012490700000000, 0.0003642200000000 ] - [ 0.0013764500000000, -0.0002113100000000, 0.0037191400000000 ] - [ 0.0012533300000000, -0.0000366900000000, 0.0022449900000000 ] - [ 0.0049326200000000, 0.0051814300000000, 0.0458360700000000 ] - [ 0.0005078500000000, 0.0006855600000000, 0.0019870100000000 ] - [ -0.0009274700000000, 0.0054986400000000, 0.0130239200000000 ] - [ 0.0006046800000000, 0.0007220200000000, 0.0022775400000000 ] - [ -0.0024212200000000, 0.0022309300000000, 0.0021592700000000 ] - [ -0.0012051200000000, -0.0010747700000000, 0.0005639500000000 ] - [ 0.0000315600000000, -0.0049706800000000, 0.0026757800000000 ] - [ -0.0007861600000000, 0.0012326500000000, 0.0006593300000000 ] - [ 0.0011477200000000, -0.0004041600000000, 0.0012887300000000 ] - [ 0.0008310200000000, 0.0007612800000000, 0.0009245200000000 ] - [ 0.0030368800000000, 0.0023162000000000, -0.0001867300000000 ] - [ 0.0031473600000000, -0.0011157500000000, -0.0002945700000000 ] - [ -0.0010403800000000, 0.0006735300000000, 0.0034297900000000 ] - [ 0.0010163600000000, -0.0001905200000000, 0.0019281900000000 ] - [ 0.0149002400000000, -0.0027300800000000, 0.0178453900000000 ] - [ 0.0014417600000000, 0.0001390500000000, 0.0007808200000000 ] - [ -0.0012429400000000, 0.0013212100000000, -0.0041020700000000 ] - [ -0.0013291400000000, -0.0002591200000000, -0.0023834500000000 ] - [ -0.0011633900000000, -0.0001847600000000, 0.0006329800000000 ] - [ -0.0011659000000000, -0.0002080900000000, -0.0006523700000000 ] - [ -0.0018504200000000, -0.0008233600000000, -0.0018638200000000 ] - [ -0.0017447400000000, -0.0004313300000000, -0.0013164900000000 ] - [ -0.0014739600000000, 0.0001186700000000, 0.0007467500000000 ] - [ -0.0015884500000000, -0.0004083100000000, 0.0005250400000000 ] - [ 0.0004535100000000, 0.0003174700000000, -0.0016959600000000 ] - [ 0.0006888100000000, -0.0008478900000000, -0.0016517000000000 ] - [ 0.0010696000000000, 0.0002261100000000, 0.0011758700000000 ] - [ 0.0010827600000000, 0.0007169800000000, 0.0011742300000000 ] - [ -0.0006225100000000, -0.0006130300000000, -0.0050696500000000 ] - [ -0.0004117500000000, -0.0010273100000000, -0.0028977500000000 ] - [ -0.0007232900000000, -0.0003479500000000, 0.0000343800000000 ] - [ -0.0006821500000000, -0.0008218000000000, -0.0010502200000000 ] - [ -0.0028024300000000, -0.0017752000000000, -0.0012631900000000 ] - [ -0.0015352900000000, 0.0008402900000000, -0.0020106900000000 ] - [ -0.0011378500000000, 0.0013533300000000, 0.0000858100000000 ] - [ -0.0004062500000000, -0.0012552500000000, 0.0000045900000000 ] - [ -0.0020989400000000, 0.0006165600000000, -0.0017042900000000 ] - [ -0.0017155000000000, -0.0001245100000000, -0.0005373700000000 ] - [ -0.0008126600000000, 0.0004252700000000, 0.0018919800000000 ] - [ -0.0016169900000000, 0.0002863300000000, 0.0002147000000000 ] - [ -0.0054397200000000, -0.0000094200000000, -0.0017055700000000 ] - [ -0.0001632200000000, 0.0012412400000000, -0.0005344500000000 ] - [ 0.0018412300000000, 0.0023936900000000, 0.0015697000000000 ] - [ 0.0000584500000000, 0.0010952200000000, 0.0001166000000000 ] - [ 0.0016678700000000, -0.0002145600000000, -0.0003462500000000 ] - [ 0.0010061500000000, -0.0001253800000000, -0.0000408400000000 ] - [ 0.0011314800000000, 0.0001112700000000, 0.0006559300000000 ] - [ 0.0010425500000000, -0.0004940000000000, 0.0001024500000000 ] - [ -0.0002815700000000, 0.0001790000000000, -0.0009625700000000 ] - [ -0.0002861900000000, 0.0013459100000000, -0.0015580400000000 ] - [ -0.0014002300000000, 0.0017946500000000, -0.0020328400000000 ] - [ -0.0011183500000000, -0.0002679700000000, -0.0016395100000000 ] - [ 0.0022992100000000, -0.0003891400000000, -0.0012997000000000 ] - [ 0.0003167400000000, -0.0020054100000000, -0.0004761300000000 ] - [ -0.0003154400000000, -0.0017361700000000, 0.0006125000000000 ] - [ -0.0000153700000000, -0.0011245700000000, 0.0001109100000000 ]- atom: 57 displacement: [ 0.0019782548681478, 0.0000000000000000, -0.0098023725534510 ] forces: - [ -0.0045386700000000, 0.0012187600000000, 0.0088658000000000 ] - [ -0.0011178100000000, -0.0013654400000000, -0.0015172200000000 ] - [ 0.0156525200000000, 0.0112681800000000, -0.0367152200000000 ] - [ -0.0007307200000000, -0.0012947800000000, -0.0033787900000000 ] - [ 0.0021874600000000, 0.0075513000000000, -0.0219081000000000 ] - [ -0.0009260300000000, -0.0020606300000000, -0.0044489400000000 ] - [ -0.0023184000000000, -0.0006482000000000, 0.0025695300000000 ] - [ -0.0012495400000000, 0.0016721900000000, -0.0008124200000000 ] - [ 0.0075176400000000, 0.0010526200000000, -0.0185217800000000 ] - [ 0.0016140500000000, -0.0008946200000000, -0.0027281700000000 ] - [ 0.0015397700000000, 0.0000423200000000, 0.0026297900000000 ] - [ 0.0016877000000000, -0.0004285300000000, 0.0001530900000000 ] - [ -0.0034839700000000, -0.0028112600000000, -0.0057044300000000 ] - [ -0.0022124000000000, 0.0003220600000000, -0.0022194100000000 ] - [ -0.0016430800000000, -0.0002665300000000, 0.0035729900000000 ] - [ -0.0015991000000000, -0.0007638400000000, 0.0033371300000000 ] - [ -0.0006271300000000, 0.0019492300000000, -0.0006732600000000 ] - [ 0.0014571900000000, -0.0013819000000000, -0.0004513700000000 ] - [ 0.0045479800000000, -0.0038888500000000, 0.0027635900000000 ] - [ 0.0021347700000000, 0.0014157000000000, -0.0006332400000000 ] - [ -0.0051110600000000, 0.0007399500000000, 0.0046912600000000 ] - [ -0.0019285100000000, 0.0006360700000000, 0.0013261900000000 ] - [ 0.0019115600000000, 0.0049522500000000, 0.0041302000000000 ] - [ -0.0012792900000000, -0.0007980700000000, 0.0011522500000000 ] - [ 0.0034530900000000, -0.0015285200000000, 0.0010879200000000 ] - [ 0.0017945400000000, -0.0002861800000000, 0.0008998800000000 ] - [ 0.0005173800000000, -0.0004513800000000, 0.0039607800000000 ] - [ 0.0008663900000000, -0.0017590400000000, 0.0040116600000000 ] - [ -0.0028889400000000, 0.0031148000000000, 0.0000263500000000 ] - [ 0.0001550300000000, 0.0001261900000000, 0.0013854700000000 ] - [ 0.0024971000000000, 0.0001497500000000, 0.0056670100000000 ] - [ 0.0012793300000000, 0.0012841100000000, 0.0034746700000000 ] - [ -0.0016251800000000, -0.0011761800000000, 0.0007905800000000 ] - [ -0.0011848600000000, 0.0025112400000000, 0.0011875500000000 ] - [ 0.0014517500000000, 0.0082579000000000, -0.0017795500000000 ] - [ 0.0002460300000000, -0.0034895400000000, -0.0009707400000000 ] - [ 0.0086338700000000, 0.0571979300000000, -0.0940629200000000 ] - [ -0.0017310000000000, -0.0001125000000000, -0.0019288600000000 ] - [ -0.0000853300000000, 0.0013000400000000, 0.0044064400000000 ] - [ -0.0008022300000000, -0.0016680800000000, 0.0000541200000000 ] - [ 0.0025324200000000, 0.0003010100000000, -0.0016735800000000 ] - [ 0.0009350600000000, 0.0003693000000000, 0.0004118200000000 ] - [ 0.0011703700000000, 0.0013476100000000, 0.0028950400000000 ] - [ 0.0009427700000000, 0.0009764700000000, 0.0015516100000000 ] - [ -0.0008861700000000, -0.0042929600000000, -0.0001476300000000 ] - [ 0.0003503200000000, -0.0006556900000000, -0.0004266800000000 ] - [ 0.0018567200000000, 0.0006830200000000, 0.0021634900000000 ] - [ 0.0010464900000000, -0.0014337000000000, 0.0021877400000000 ] - [ -0.0038751400000000, 0.0087858700000000, 0.0013237300000000 ] - [ -0.0004717800000000, -0.0024283300000000, 0.0014495700000000 ] - [ 0.0004886000000000, -0.0001543000000000, -0.0010623200000000 ] - [ 0.0001932600000000, 0.0019431900000000, -0.0005502100000000 ] - [ 0.0021658100000000, 0.0102081300000000, 0.0056233900000000 ] - [ 0.0002953000000000, -0.0021205000000000, 0.0043946800000000 ] - [ 0.0010059300000000, -0.0018415500000000, -0.0008081200000000 ] - [ 0.0007363500000000, -0.0000217600000000, 0.0003699700000000 ] - [ -0.0474640800000000, -0.0901149000000000, 0.2207310800000000 ] - [ -0.0010803400000000, 0.0001009300000000, 0.0013466900000000 ] - [ -0.0002718700000000, 0.0014676900000000, -0.0051175800000000 ] - [ -0.0008811500000000, 0.0004364200000000, -0.0008740800000000 ] - [ 0.0001827300000000, 0.0008699800000000, -0.0019640600000000 ] - [ -0.0002716500000000, -0.0018631000000000, -0.0002992800000000 ] - [ 0.0052049600000000, -0.0112181500000000, -0.0036991200000000 ] - [ 0.0007914000000000, 0.0010251000000000, 0.0002968000000000 ] - [ 0.0192705700000000, 0.0132827100000000, -0.0008462500000000 ] - [ 0.0018801100000000, -0.0004570500000000, 0.0007845900000000 ] - [ 0.0011605200000000, -0.0008261400000000, -0.0019282600000000 ] - [ 0.0016004400000000, 0.0000678400000000, -0.0004122800000000 ] - [ 0.0059882100000000, -0.0051084100000000, 0.0049879700000000 ] - [ 0.0013952500000000, 0.0009534200000000, 0.0023518200000000 ] - [ 0.0010124600000000, -0.0000827800000000, -0.0010229200000000 ] - [ 0.0011411700000000, -0.0002647800000000, 0.0004656500000000 ] - [ -0.0035099600000000, -0.0035489600000000, -0.0412683000000000 ] - [ 0.0007467100000000, 0.0009273600000000, 0.0017555700000000 ] - [ 0.0021858900000000, -0.0039705500000000, -0.0094232600000000 ] - [ 0.0006427700000000, 0.0008760700000000, 0.0014597900000000 ] - [ 0.0004294800000000, -0.0026164500000000, -0.0021692400000000 ] - [ -0.0007955700000000, 0.0007497700000000, -0.0004728100000000 ] - [ -0.0020686000000000, 0.0047165900000000, -0.0026105400000000 ] - [ -0.0012171000000000, -0.0015978400000000, -0.0005896400000000 ] - [ 0.0021605200000000, 0.0008781500000000, -0.0008806600000000 ] - [ 0.0023844200000000, -0.0002677700000000, -0.0005220700000000 ] - [ 0.0002155800000000, -0.0018411700000000, 0.0006243800000000 ] - [ 0.0001430800000000, 0.0015979100000000, 0.0007382900000000 ] - [ 0.0034154700000000, -0.0003747000000000, -0.0007396300000000 ] - [ 0.0013798900000000, 0.0004906700000000, 0.0007785500000000 ] - [ -0.0127441500000000, 0.0030522900000000, -0.0153336400000000 ] - [ 0.0009497300000000, 0.0001608700000000, 0.0019461500000000 ] - [ -0.0011287600000000, -0.0015839000000000, 0.0014429600000000 ] - [ -0.0010617700000000, -0.0000425900000000, -0.0003161100000000 ] - [ -0.0012282100000000, -0.0001153400000000, -0.0033684000000000 ] - [ -0.0012231100000000, -0.0000868900000000, -0.0020723000000000 ] - [ -0.0014331400000000, 0.0003244400000000, 0.0014947100000000 ] - [ -0.0015089000000000, -0.0000502800000000, 0.0009099400000000 ] - [ -0.0017890100000000, -0.0005935900000000, -0.0011797000000000 ] - [ -0.0017092600000000, -0.0000737600000000, -0.0009557500000000 ] - [ 0.0015502700000000, 0.0000483900000000, 0.0016598800000000 ] - [ 0.0013300200000000, 0.0011900500000000, 0.0015833800000000 ] - [ 0.0009373500000000, 0.0001082600000000, -0.0012698900000000 ] - [ 0.0009213500000000, -0.0003518400000000, -0.0012445500000000 ] - [ -0.0006494100000000, -0.0010113800000000, 0.0013349900000000 ] - [ -0.0008391400000000, -0.0005702700000000, -0.0008358200000000 ] - [ -0.0005174800000000, -0.0012475400000000, -0.0037701300000000 ] - [ -0.0005521200000000, -0.0007313200000000, -0.0026502600000000 ] - [ 0.0004101000000000, 0.0020811100000000, -0.0014567100000000 ] - [ -0.0008510400000000, -0.0005476700000000, -0.0007060600000000 ] - [ -0.0012504100000000, -0.0010634100000000, -0.0028015200000000 ] - [ -0.0019927800000000, 0.0015631800000000, -0.0027227400000000 ] - [ -0.0011339800000000, -0.0001328300000000, 0.0012708400000000 ] - [ -0.0015524600000000, 0.0006080200000000, 0.0001157400000000 ] - [ -0.0024642100000000, 0.0000511300000000, -0.0023217900000000 ] - [ -0.0016891500000000, 0.0001865600000000, -0.0006391400000000 ] - [ 0.0055365600000000, 0.0026406200000000, 0.0013323400000000 ] - [ 0.0001654200000000, 0.0013478600000000, 0.0001353000000000 ] - [ -0.0018282700000000, 0.0002035500000000, -0.0019745900000000 ] - [ -0.0000273500000000, 0.0015403500000000, -0.0005305700000000 ] - [ 0.0003427000000000, -0.0001532800000000, 0.0002807100000000 ] - [ 0.0009953300000000, -0.0002366200000000, -0.0000179400000000 ] - [ 0.0008748600000000, -0.0004742800000000, -0.0007147100000000 ] - [ 0.0009572400000000, 0.0001751400000000, -0.0001956200000000 ] - [ -0.0009584600000000, 0.0013799800000000, -0.0027601800000000 ] - [ -0.0009652100000000, 0.0002673600000000, -0.0021964900000000 ] - [ 0.0001578300000000, -0.0001858900000000, -0.0017062700000000 ] - [ -0.0001088200000000, 0.0018488000000000, -0.0020578800000000 ] - [ -0.0023192000000000, -0.0021911400000000, 0.0008873700000000 ] - [ -0.0003055000000000, -0.0005999500000000, 0.0000787700000000 ] - [ 0.0003361800000000, -0.0008655500000000, -0.0010260900000000 ] - [ 0.0000468400000000, -0.0015107800000000, -0.0005217200000000 ]- atom: 65 displacement: [ 0.0099846139444728, 0.0000000000000000, 0.0005545127409173 ] forces: - [ 0.0024045300000000, -0.0022890800000000, -0.0093835700000000 ] - [ -0.0006777400000000, -0.0010073900000000, -0.0029337700000000 ] - [ -0.0037008300000000, -0.0011549200000000, 0.0048230000000000 ] - [ -0.0012368500000000, -0.0008915200000000, -0.0019738200000000 ] - [ -0.0010468100000000, -0.0078081800000000, -0.0025917300000000 ] - [ 0.0015846200000000, 0.0087648900000000, -0.0023016100000000 ] - [ -0.0010779600000000, 0.0009008500000000, -0.0023600600000000 ] - [ -0.0009424100000000, 0.0010608000000000, -0.0025020700000000 ] - [ 0.0161185800000000, 0.0055189400000000, -0.0025884100000000 ] - [ 0.0027486900000000, -0.0019146900000000, -0.0007491600000000 ] - [ 0.0026354400000000, 0.0009381600000000, -0.0001086900000000 ] - [ 0.0018381200000000, -0.0007690900000000, -0.0010114700000000 ] - [ 0.0094767600000000, -0.0020457800000000, 0.0023157900000000 ] - [ -0.0010190100000000, -0.0002249200000000, 0.0012412500000000 ] - [ -0.0014081000000000, -0.0012876100000000, 0.0020024200000000 ] - [ -0.0016318500000000, -0.0003209500000000, 0.0011035800000000 ] - [ 0.0044233600000000, 0.0025930400000000, 0.0000260400000000 ] - [ 0.0049950200000000, -0.0032880800000000, 0.0015051900000000 ] - [ 0.0024688300000000, 0.0006436800000000, -0.0008880300000000 ] - [ 0.0027956000000000, 0.0002824900000000, -0.0015742900000000 ] - [ -0.0003112300000000, 0.0027297100000000, 0.0135561300000000 ] - [ -0.0015758500000000, -0.0000783200000000, 0.0012790700000000 ] - [ 0.0003417800000000, 0.0006700500000000, -0.0007078200000000 ] - [ -0.0014251800000000, -0.0002078300000000, 0.0011005700000000 ] - [ -0.0127859900000000, 0.0000280800000000, 0.0005974300000000 ] - [ -0.0000686800000000, -0.0012223100000000, 0.0024011900000000 ] - [ 0.0005182700000000, -0.0011129200000000, 0.0018676200000000 ] - [ 0.0008649200000000, -0.0011713100000000, 0.0023184900000000 ] - [ -0.0037087700000000, 0.0017366200000000, 0.0018008000000000 ] - [ 0.0004526400000000, 0.0005722700000000, 0.0025188600000000 ] - [ -0.0021923900000000, 0.0014634800000000, 0.0014169500000000 ] - [ 0.0006773600000000, 0.0008096600000000, 0.0023019900000000 ] - [ 0.0015927000000000, 0.0020223300000000, -0.0024633500000000 ] - [ -0.0004407500000000, 0.0001332400000000, -0.0016910900000000 ] - [ 0.0002235000000000, 0.0019372400000000, 0.0017197200000000 ] - [ -0.0002428700000000, -0.0003997600000000, 0.0003954000000000 ] - [ 0.1493273000000000, 0.0188220900000000, 0.0140091700000000 ] - [ -0.0001339900000000, -0.0014310900000000, -0.0007762900000000 ] - [ -0.0002389600000000, -0.0001395600000000, -0.0006517700000000 ] - [ -0.0007613300000000, -0.0012064300000000, -0.0009028800000000 ] - [ -0.0072488900000000, 0.0006895800000000, -0.0004062500000000 ] - [ -0.0002264700000000, 0.0006681800000000, 0.0009595800000000 ] - [ 0.0005846400000000, 0.0016820100000000, 0.0004411100000000 ] - [ 0.0007558500000000, 0.0006275500000000, 0.0007223600000000 ] - [ -0.0003116000000000, -0.0008644500000000, 0.0008539300000000 ] - [ -0.0015692600000000, -0.0017025500000000, -0.0001071400000000 ] - [ -0.0001953700000000, -0.0014078500000000, 0.0008302000000000 ] - [ 0.0000903800000000, -0.0010511500000000, 0.0006585500000000 ] - [ 0.0201309300000000, -0.0108314900000000, 0.0026291100000000 ] - [ 0.0001792600000000, 0.0026889200000000, 0.0002863200000000 ] - [ 0.0001687700000000, 0.0009905700000000, 0.0002439100000000 ] - [ 0.0000363600000000, 0.0015187100000000, 0.0002271300000000 ] - [ 0.0012593200000000, 0.0017800100000000, -0.0000702500000000 ] - [ 0.0005166000000000, -0.0020968500000000, 0.0000899700000000 ] - [ 0.0004790600000000, -0.0002454700000000, 0.0024001600000000 ] - [ 0.0003511500000000, -0.0009679600000000, 0.0021763700000000 ] - [ 0.0112242000000000, 0.0195229400000000, -0.0156147500000000 ] - [ -0.0015961600000000, -0.0000452200000000, -0.0003825400000000 ] - [ -0.0019244100000000, -0.0001683000000000, 0.0004063000000000 ] - [ -0.0011917300000000, 0.0002392900000000, 0.0000609000000000 ] - [ -0.0001765100000000, -0.0024659300000000, 0.0016704600000000 ] - [ 0.0000973100000000, -0.0009799100000000, 0.0003959300000000 ] - [ 0.0012361900000000, -0.0022383400000000, -0.0009010300000000 ] - [ 0.0003453800000000, -0.0005660200000000, -0.0000099100000000 ] - [ -0.2313327500000000, -0.0492645600000000, -0.0195228000000000 ] - [ 0.0011350000000000, -0.0000216800000000, 0.0000585000000000 ] - [ 0.0007678800000000, -0.0004787800000000, 0.0000660800000000 ] - [ 0.0015414300000000, -0.0001204500000000, 0.0001650800000000 ] - [ -0.0018911100000000, -0.0004616200000000, 0.0007054500000000 ] - [ -0.0027142300000000, 0.0017595100000000, -0.0001166800000000 ] - [ 0.0008753100000000, -0.0004146200000000, 0.0010621600000000 ] - [ 0.0008209300000000, 0.0001699100000000, 0.0012243000000000 ] - [ 0.0076507500000000, 0.0128905300000000, 0.0113707600000000 ] - [ 0.0004195600000000, 0.0003922100000000, 0.0023037000000000 ] - [ 0.0008210200000000, 0.0001065300000000, 0.0004539000000000 ] - [ 0.0006568600000000, 0.0009202900000000, 0.0017267900000000 ] - [ -0.0027495500000000, 0.0012883800000000, 0.0011964200000000 ] - [ -0.0027896900000000, -0.0012117700000000, 0.0010602300000000 ] - [ -0.0014061700000000, 0.0001856100000000, -0.0008023200000000 ] - [ -0.0013800500000000, -0.0003088200000000, -0.0005242600000000 ] - [ -0.0004978200000000, 0.0010986100000000, -0.0010480200000000 ] - [ 0.0009806000000000, 0.0003713900000000, 0.0001564200000000 ] - [ -0.0005847700000000, -0.0000699500000000, -0.0000412500000000 ] - [ 0.0010098000000000, 0.0005217700000000, -0.0000906500000000 ] - [ -0.0020050200000000, -0.0020132300000000, -0.0001410600000000 ] - [ 0.0007795700000000, 0.0008035600000000, 0.0009139800000000 ] - [ -0.0017442600000000, -0.0000781100000000, 0.0009350300000000 ] - [ 0.0006235400000000, 0.0004921000000000, 0.0013489600000000 ] - [ 0.0015362800000000, -0.0016410400000000, 0.0082504100000000 ] - [ -0.0011906500000000, 0.0003745600000000, -0.0013674400000000 ] - [ 0.0009847800000000, -0.0003191400000000, -0.0061849000000000 ] - [ -0.0010949500000000, 0.0000559400000000, -0.0013316000000000 ] - [ -0.0006912200000000, -0.0012055200000000, 0.0004602700000000 ] - [ -0.0008290200000000, 0.0033436500000000, 0.0030468200000000 ] - [ -0.0012850800000000, -0.0005367600000000, -0.0003861600000000 ] - [ -0.0012397600000000, 0.0000537700000000, -0.0005425200000000 ] - [ 0.0043609200000000, 0.0003625300000000, 0.0003408100000000 ] - [ 0.0014087500000000, 0.0000635500000000, -0.0001245500000000 ] - [ 0.0013428800000000, 0.0003627700000000, 0.0002732800000000 ] - [ 0.0011753800000000, 0.0003014500000000, 0.0000850500000000 ] - [ 0.0026743300000000, -0.0003893400000000, -0.0017305300000000 ] - [ -0.0003041000000000, -0.0006099200000000, -0.0019307500000000 ] - [ -0.0002104700000000, -0.0009955700000000, -0.0015163000000000 ] - [ -0.0005784500000000, -0.0006520000000000, -0.0017350500000000 ] - [ 0.0148411900000000, 0.0135750400000000, -0.0071805200000000 ] - [ -0.0011355200000000, -0.0003276600000000, -0.0012744900000000 ] - [ -0.0012370200000000, 0.0002931900000000, -0.0012745600000000 ] - [ -0.0012618200000000, 0.0002245900000000, -0.0013504800000000 ] - [ 0.0074574300000000, -0.0086458300000000, -0.0018719200000000 ] - [ -0.0013530200000000, 0.0010727800000000, -0.0001570200000000 ] - [ -0.0017219600000000, -0.0001737000000000, -0.0002760600000000 ] - [ -0.0016163200000000, 0.0004443700000000, -0.0000996200000000 ] - [ 0.0014170000000000, 0.0010653600000000, -0.0001318500000000 ] - [ 0.0009503400000000, 0.0019910100000000, -0.0001056500000000 ] - [ 0.0013515700000000, 0.0015653900000000, 0.0007554500000000 ] - [ 0.0002317300000000, 0.0014661600000000, -0.0000651400000000 ] - [ 0.0048919300000000, -0.0000865100000000, 0.0001979700000000 ] - [ 0.0013002500000000, -0.0000192200000000, -0.0000922800000000 ] - [ 0.0014781900000000, -0.0005789200000000, 0.0010093000000000 ] - [ 0.0010462500000000, 0.0000197600000000, 0.0000465600000000 ] - [ 0.0009720400000000, 0.0005336000000000, -0.0011315400000000 ] - [ -0.0003260600000000, 0.0009643200000000, -0.0017810500000000 ] - [ -0.0000117500000000, 0.0006399500000000, -0.0011828800000000 ] - [ -0.0003203200000000, 0.0007632200000000, -0.0017887300000000 ] - [ 0.0041442300000000, -0.0017203000000000, 0.0001310800000000 ] - [ 0.0015447300000000, -0.0019450800000000, -0.0000212000000000 ] - [ 0.0003351000000000, -0.0015756300000000, -0.0000519700000000 ] - [ 0.0000998800000000, -0.0011038100000000, -0.0000721600000000 ]- atom: 65 displacement: [ -0.0099846139444728, 0.0000000000000000, -0.0005545127409173 ] forces: - [ -0.0043658400000000, 0.0001499900000000, 0.0044178900000000 ] - [ -0.0012947300000000, -0.0011253700000000, -0.0020284400000000 ] - [ 0.0017223300000000, -0.0009821700000000, -0.0097694800000000 ] - [ -0.0007372200000000, -0.0012425400000000, -0.0029765400000000 ] - [ -0.0009130200000000, 0.0099313200000000, -0.0023544600000000 ] - [ -0.0035254000000000, -0.0065935400000000, -0.0026473400000000 ] - [ -0.0008977300000000, 0.0012359800000000, -0.0025975800000000 ] - [ -0.0010347200000000, 0.0010791800000000, -0.0024501800000000 ] - [ -0.0127602500000000, -0.0061435200000000, 0.0002955200000000 ] - [ 0.0006448300000000, 0.0012007400000000, -0.0014924700000000 ] - [ 0.0007520000000000, -0.0016446500000000, -0.0021373800000000 ] - [ 0.0015543000000000, 0.0000659600000000, -0.0012268400000000 ] - [ -0.0130407600000000, 0.0010497800000000, -0.0003196000000000 ] - [ -0.0023721500000000, -0.0004751400000000, 0.0010050500000000 ] - [ -0.0019833300000000, 0.0005808000000000, 0.0002369100000000 ] - [ -0.0017624200000000, -0.0003913700000000, 0.0011253900000000 ] - [ -0.0010447900000000, -0.0018706000000000, -0.0022517100000000 ] - [ -0.0016226300000000, 0.0039767200000000, -0.0037271700000000 ] - [ 0.0009285400000000, 0.0000710800000000, -0.0013552100000000 ] - [ 0.0005955500000000, 0.0004193600000000, -0.0006738500000000 ] - [ -0.0033332100000000, -0.0019939100000000, -0.0110835000000000 ] - [ -0.0018110900000000, 0.0007899400000000, 0.0009601800000000 ] - [ -0.0037400200000000, 0.0000331500000000, 0.0029325500000000 ] - [ -0.0019666400000000, 0.0009186000000000, 0.0011358300000000 ] - [ 0.0147185400000000, -0.0021634600000000, 0.0043682000000000 ] - [ 0.0020390800000000, -0.0009197000000000, 0.0025629500000000 ] - [ 0.0014571600000000, -0.0010249400000000, 0.0030841800000000 ] - [ 0.0011160900000000, -0.0009652900000000, 0.0026298800000000 ] - [ 0.0056692900000000, 0.0004008300000000, 0.0031628600000000 ] - [ 0.0015267700000000, 0.0015738400000000, 0.0024364000000000 ] - [ 0.0041676200000000, 0.0006710600000000, 0.0035251100000000 ] - [ 0.0012949700000000, 0.0013270500000000, 0.0026585600000000 ] - [ -0.0033652200000000, -0.0000862700000000, 0.0005236900000000 ] - [ -0.0013454800000000, 0.0018029200000000, -0.0002432000000000 ] - [ -0.0019894900000000, 0.0000081000000000, -0.0036494200000000 ] - [ -0.0015491700000000, 0.0023358500000000, -0.0023308500000000 ] - [ -0.1412352500000000, -0.0189359200000000, -0.0147694100000000 ] - [ -0.0016516300000000, -0.0005081000000000, -0.0011616800000000 ] - [ -0.0015480000000000, -0.0018008400000000, -0.0012852000000000 ] - [ -0.0010284600000000, -0.0007279900000000, -0.0010363300000000 ] - [ 0.0090396700000000, 0.0012400000000000, 0.0023413200000000 ] - [ 0.0020077600000000, 0.0012701800000000, 0.0009801800000000 ] - [ 0.0012059800000000, 0.0002487700000000, 0.0014913700000000 ] - [ 0.0010299500000000, 0.0013114100000000, 0.0012138000000000 ] - [ 0.0020803400000000, -0.0010691000000000, 0.0010829100000000 ] - [ 0.0033554800000000, -0.0002460400000000, 0.0020463500000000 ] - [ 0.0019830800000000, -0.0005285300000000, 0.0011061300000000 ] - [ 0.0016958600000000, -0.0008876700000000, 0.0012671400000000 ] - [ -0.0197883600000000, 0.0132117400000000, -0.0021809700000000 ] - [ -0.0002037900000000, -0.0000539700000000, 0.0001148600000000 ] - [ -0.0001713000000000, 0.0015988400000000, 0.0001603100000000 ] - [ -0.0000533200000000, 0.0011007300000000, 0.0001732800000000 ] - [ -0.0000193800000000, -0.0033271900000000, 0.0037565200000000 ] - [ 0.0007436100000000, 0.0004645700000000, 0.0036594500000000 ] - [ 0.0007646200000000, -0.0013142300000000, 0.0013055700000000 ] - [ 0.0009007900000000, -0.0006299000000000, 0.0015577400000000 ] - [ -0.0131001100000000, -0.0188678900000000, 0.0154355300000000 ] - [ -0.0004076700000000, 0.0003757600000000, 0.0004770700000000 ] - [ -0.0000787200000000, 0.0005275500000000, -0.0003423800000000 ] - [ -0.0008131400000000, 0.0000991400000000, 0.0000266500000000 ] - [ 0.0001647500000000, -0.0001415000000000, -0.0012671800000000 ] - [ -0.0001256600000000, -0.0016511500000000, 0.0000048000000000 ] - [ -0.0012290600000000, -0.0003404400000000, 0.0013074300000000 ] - [ -0.0003798600000000, -0.0020718100000000, 0.0004127900000000 ] - [ 0.2246315700000000, 0.0469514400000000, 0.0188029100000000 ] - [ 0.0021561400000000, -0.0004508000000000, 0.0003595400000000 ] - [ 0.0024944500000000, 0.0000001300000000, 0.0003475700000000 ] - [ 0.0017522500000000, -0.0003534400000000, 0.0002477000000000 ] - [ 0.0042705200000000, 0.0001406000000000, 0.0019978600000000 ] - [ 0.0051046500000000, -0.0020240100000000, 0.0028372100000000 ] - [ 0.0015159000000000, 0.0001215100000000, 0.0016477600000000 ] - [ 0.0015720200000000, -0.0004728500000000, 0.0014902300000000 ] - [ -0.0062976000000000, -0.0111284400000000, -0.0075209800000000 ] - [ 0.0008308600000000, 0.0011781500000000, 0.0014138600000000 ] - [ 0.0004368100000000, 0.0014984000000000, 0.0032923600000000 ] - [ 0.0005816200000000, 0.0006574300000000, 0.0019781800000000 ] - [ 0.0007456100000000, -0.0016094600000000, -0.0010988500000000 ] - [ 0.0007836300000000, 0.0008574100000000, -0.0009809900000000 ] - [ -0.0006018700000000, -0.0005044800000000, 0.0009111300000000 ] - [ -0.0006161100000000, -0.0000654400000000, 0.0005690800000000 ] - [ 0.0037703100000000, -0.0006167000000000, 0.0014484100000000 ] - [ 0.0023124100000000, 0.0001068600000000, 0.0002665600000000 ] - [ 0.0038129800000000, 0.0005677500000000, 0.0004732000000000 ] - [ 0.0023057400000000, -0.0000565200000000, 0.0005151400000000 ] - [ 0.0043996300000000, 0.0022990900000000, 0.0028354800000000 ] - [ 0.0016117000000000, -0.0005062200000000, 0.0018006000000000 ] - [ 0.0041229700000000, 0.0003755000000000, 0.0017896900000000 ] - [ 0.0017671900000000, -0.0001974400000000, 0.0013689400000000 ] - [ -0.0038859400000000, 0.0013469100000000, -0.0110055500000000 ] - [ -0.0012006900000000, -0.0006722900000000, -0.0013461700000000 ] - [ -0.0033872600000000, 0.0000258800000000, 0.0034972400000000 ] - [ -0.0012950200000000, -0.0003523000000000, -0.0013829600000000 ] - [ -0.0025897100000000, 0.0007048800000000, -0.0008544400000000 ] - [ -0.0024438000000000, -0.0038378400000000, -0.0034747700000000 ] - [ -0.0019905600000000, 0.0000608000000000, -0.0000288100000000 ] - [ -0.0020122000000000, -0.0005447000000000, 0.0001279000000000 ] - [ -0.0023177200000000, -0.0000158600000000, -0.0004097300000000 ] - [ 0.0006000400000000, 0.0002528300000000, 0.0000186400000000 ] - [ 0.0006583600000000, 0.0000002900000000, -0.0003390500000000 ] - [ 0.0008330200000000, 0.0000481500000000, -0.0001653900000000 ] - [ -0.0039147000000000, -0.0011805400000000, -0.0019869000000000 ] - [ -0.0009391400000000, -0.0009619300000000, -0.0017743500000000 ] - [ -0.0010193900000000, -0.0005450500000000, -0.0021643800000000 ] - [ -0.0006747700000000, -0.0009552500000000, -0.0020101700000000 ] - [ -0.0173416600000000, -0.0134707200000000, 0.0045497200000000 ] - [ -0.0012557800000000, 0.0006271400000000, -0.0014421400000000 ] - [ -0.0011484900000000, 0.0000069500000000, -0.0014356700000000 ] - [ -0.0011316900000000, 0.0000701500000000, -0.0013600300000000 ] - [ -0.0107887100000000, 0.0092312200000000, 0.0014760300000000 ] - [ -0.0019419300000000, -0.0006010000000000, -0.0002606700000000 ] - [ -0.0016017300000000, 0.0006387800000000, -0.0001476100000000 ] - [ -0.0016381300000000, 0.0000314700000000, -0.0003140300000000 ] - [ -0.0013803900000000, 0.0015773700000000, -0.0002737100000000 ] - [ -0.0009399200000000, 0.0006081900000000, -0.0002910700000000 ] - [ -0.0013353400000000, 0.0010435800000000, -0.0011539700000000 ] - [ -0.0002260500000000, 0.0011298900000000, -0.0003465000000000 ] - [ -0.0028826900000000, -0.0002497200000000, -0.0002814100000000 ] - [ 0.0007050900000000, -0.0003164300000000, -0.0000007400000000 ] - [ 0.0005287300000000, 0.0002711200000000, -0.0011220500000000 ] - [ 0.0009526600000000, -0.0003800700000000, -0.0001074100000000 ] - [ -0.0022247400000000, 0.0010705100000000, -0.0026080400000000 ] - [ -0.0009249900000000, 0.0006245600000000, -0.0019449200000000 ] - [ -0.0012392400000000, 0.0009591300000000, -0.0025508900000000 ] - [ -0.0009099400000000, 0.0007989300000000, -0.0019035000000000 ] - [ -0.0041230200000000, -0.0008960300000000, -0.0005301600000000 ] - [ -0.0015132300000000, -0.0007002400000000, -0.0003837800000000 ] - [ -0.0002890900000000, -0.0010793700000000, -0.0003504800000000 ] - [ -0.0001035900000000, -0.0014840700000000, -0.0003346500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009055800000000, -0.0006708400000000, -0.0067704000000000 ] - [ -0.0006788800000000, -0.0026656400000000, -0.0015138900000000 ] - [ -0.0034833800000000, -0.0001499400000000, 0.0016654800000000 ] - [ -0.0007865900000000, -0.0025822900000000, -0.0033264000000000 ] - [ -0.0031052500000000, -0.0044415200000000, -0.0031019800000000 ] - [ 0.0027157000000000, -0.0032435400000000, -0.0019621500000000 ] - [ -0.0012357000000000, 0.0007595000000000, -0.0023174700000000 ] - [ -0.0008355800000000, 0.0011044900000000, -0.0024900500000000 ] - [ 0.0070769900000000, 0.0071042800000000, 0.0052361200000000 ] - [ 0.0014035400000000, -0.0051162100000000, -0.0028583500000000 ] - [ 0.0021604700000000, 0.0003757400000000, -0.0019805400000000 ] - [ 0.0016008600000000, -0.0012376300000000, -0.0006667400000000 ] - [ -0.0029594500000000, 0.0147273100000000, 0.0024032900000000 ] - [ -0.0009730200000000, -0.0042847400000000, 0.0018197000000000 ] - [ -0.0020083400000000, 0.0007939900000000, 0.0016538800000000 ] - [ -0.0016267000000000, -0.0013593600000000, 0.0010495900000000 ] - [ 0.0028275300000000, -0.0029867700000000, -0.0038521500000000 ] - [ 0.0004208100000000, -0.0048723300000000, 0.0041492100000000 ] - [ 0.0016341300000000, -0.0007608700000000, 0.0005671700000000 ] - [ 0.0021245200000000, 0.0001528800000000, -0.0027912300000000 ] - [ -0.0007143900000000, 0.0120751800000000, 0.0013908800000000 ] - [ -0.0018112100000000, -0.0020141100000000, 0.0011598300000000 ] - [ -0.0012171300000000, 0.0034407900000000, 0.0011902000000000 ] - [ -0.0016887200000000, -0.0014351200000000, 0.0008130900000000 ] - [ -0.0004303400000000, 0.0015619900000000, 0.0032667400000000 ] - [ 0.0011101600000000, -0.0033747900000000, 0.0022942200000000 ] - [ 0.0008566900000000, -0.0001934100000000, 0.0019831700000000 ] - [ 0.0010280200000000, -0.0019160500000000, 0.0028022200000000 ] - [ 0.0006212800000000, 0.0041974500000000, 0.0020131100000000 ] - [ 0.0008037000000000, -0.0010258700000000, 0.0022441500000000 ] - [ 0.0010062900000000, 0.0031197000000000, 0.0024480800000000 ] - [ 0.0008577400000000, -0.0001971800000000, 0.0025659800000000 ] - [ 0.0002977100000000, 0.0026080500000000, 0.0020462000000000 ] - [ -0.0010021700000000, -0.0007458200000000, -0.0018730200000000 ] - [ 0.0009681800000000, 0.0025842100000000, -0.0025836500000000 ] - [ -0.0009961300000000, -0.0009528200000000, -0.0001957600000000 ] - [ 0.0212406400000000, 0.0304529500000000, 0.0016557500000000 ] - [ -0.0006473700000000, -0.0037463400000000, -0.0007900100000000 ] - [ -0.0008311500000000, 0.0006222000000000, -0.0008356000000000 ] - [ -0.0008469700000000, -0.0020705600000000, -0.0009406500000000 ] - [ 0.0035770100000000, 0.0050651100000000, 0.0014555000000000 ] - [ 0.0003059600000000, -0.0014066900000000, 0.0010285300000000 ] - [ 0.0010901900000000, 0.0017806700000000, 0.0009890300000000 ] - [ 0.0007295000000000, 0.0002357200000000, 0.0007780500000000 ] - [ 0.0030723500000000, -0.0016151400000000, 0.0014170300000000 ] - [ -0.0011609100000000, -0.0019423800000000, -0.0015210900000000 ] - [ 0.0009737500000000, -0.0017055200000000, 0.0005861100000000 ] - [ 0.0005113400000000, -0.0012731600000000, 0.0019295900000000 ] - [ -0.0090199100000000, -0.0006430000000000, -0.0007425400000000 ] - [ -0.0001787100000000, 0.0034605700000000, 0.0002308200000000 ] - [ 0.0002423900000000, 0.0004335000000000, 0.0002390100000000 ] - [ -0.0001521900000000, 0.0020287600000000, 0.0001454400000000 ] - [ 0.0010817700000000, 0.0008457000000000, 0.0006661300000000 ] - [ 0.0001279100000000, -0.0005678200000000, 0.0032111900000000 ] - [ 0.0006587600000000, -0.0002496100000000, 0.0023499400000000 ] - [ 0.0004540800000000, -0.0007773300000000, 0.0009576600000000 ] - [ 0.0154619500000000, 0.0059329700000000, -0.0105472900000000 ] - [ -0.0015430400000000, 0.0017212000000000, 0.0001423300000000 ] - [ -0.0011294400000000, -0.0004871800000000, 0.0005991300000000 ] - [ -0.0009856300000000, 0.0006259900000000, -0.0002820600000000 ] - [ -0.0005685100000000, -0.0034966700000000, 0.0000959900000000 ] - [ 0.0002294100000000, -0.0000648700000000, 0.0002782500000000 ] - [ -0.0000706200000000, -0.0036548900000000, 0.0001101100000000 ] - [ 0.0002843500000000, 0.0001933600000000, 0.0002062600000000 ] - [ -0.0458736800000000, -0.0761152100000000, -0.0033224600000000 ] - [ 0.0018299500000000, 0.0014569800000000, 0.0002022100000000 ] - [ 0.0014086500000000, -0.0010554800000000, 0.0001289200000000 ] - [ 0.0017489100000000, 0.0003552900000000, 0.0002200300000000 ] - [ 0.0008082400000000, 0.0045101200000000, 0.0016086700000000 ] - [ 0.0007188400000000, 0.0092111000000000, 0.0016691400000000 ] - [ 0.0011612800000000, 0.0000583100000000, 0.0010765600000000 ] - [ 0.0011900600000000, -0.0001727900000000, 0.0015562900000000 ] - [ 0.0084181000000000, 0.0030019600000000, 0.0076891100000000 ] - [ 0.0005066800000000, 0.0023367400000000, 0.0015898700000000 ] - [ 0.0009776600000000, -0.0001570300000000, 0.0008259500000000 ] - [ 0.0005475400000000, 0.0013409600000000, 0.0021329900000000 ] - [ -0.0010442400000000, 0.0010390800000000, 0.0014002600000000 ] - [ -0.0018966800000000, 0.0008105200000000, -0.0022244700000000 ] - [ -0.0009576000000000, 0.0004112000000000, -0.0004846300000000 ] - [ -0.0013759500000000, -0.0000248700000000, 0.0006195200000000 ] - [ 0.0021082400000000, -0.0007375300000000, -0.0018021400000000 ] - [ 0.0013341700000000, 0.0012506200000000, 0.0004803200000000 ] - [ 0.0006264300000000, -0.0007350700000000, 0.0030769000000000 ] - [ 0.0015296500000000, 0.0012461800000000, -0.0002169200000000 ] - [ -0.0000045900000000, -0.0002630100000000, 0.0038605600000000 ] - [ 0.0013793900000000, 0.0017510200000000, 0.0005710300000000 ] - [ 0.0018508200000000, -0.0009155800000000, -0.0025534800000000 ] - [ 0.0009181000000000, 0.0010462900000000, 0.0021760100000000 ] - [ -0.0023271700000000, -0.0074778700000000, -0.0009369600000000 ] - [ -0.0006093100000000, 0.0022883500000000, -0.0012035800000000 ] - [ -0.0015515100000000, -0.0011386200000000, -0.0007889700000000 ] - [ -0.0010865000000000, 0.0006297300000000, -0.0014690400000000 ] - [ -0.0050652400000000, 0.0030838400000000, -0.0031067800000000 ] - [ -0.0008665800000000, 0.0030569300000000, 0.0032823100000000 ] - [ -0.0019760500000000, 0.0000437200000000, 0.0002893800000000 ] - [ -0.0012704000000000, 0.0000351800000000, -0.0010958200000000 ] - [ 0.0057895400000000, -0.0003092100000000, 0.0015219000000000 ] - [ 0.0004885700000000, 0.0013035400000000, 0.0000868700000000 ] - [ 0.0010642000000000, -0.0002993200000000, -0.0003718300000000 ] - [ 0.0009454600000000, 0.0006975100000000, 0.0001246100000000 ] - [ -0.0007385700000000, -0.0037437100000000, -0.0020672800000000 ] - [ -0.0005204300000000, 0.0005666100000000, -0.0016420300000000 ] - [ -0.0006400400000000, -0.0014190600000000, -0.0018370200000000 ] - [ -0.0005927400000000, -0.0002496100000000, -0.0018215500000000 ] - [ 0.0110642200000000, 0.0035226500000000, -0.0068720800000000 ] - [ -0.0016440500000000, 0.0018713100000000, -0.0010484100000000 ] - [ -0.0010728400000000, -0.0006844100000000, -0.0011927300000000 ] - [ -0.0013739500000000, 0.0010181400000000, -0.0015748200000000 ] - [ -0.0107141000000000, 0.0025663700000000, 0.0012878600000000 ] - [ -0.0007845600000000, 0.0019430800000000, -0.0004351700000000 ] - [ -0.0020409900000000, -0.0001967400000000, -0.0003530400000000 ] - [ -0.0014209700000000, 0.0006870300000000, -0.0000003900000000 ] - [ 0.0002203500000000, 0.0005034800000000, -0.0003661900000000 ] - [ 0.0005804500000000, 0.0025589600000000, 0.0001647100000000 ] - [ 0.0007077400000000, 0.0012380200000000, 0.0004719600000000 ] - [ -0.0000274600000000, 0.0018678600000000, -0.0004266600000000 ] - [ 0.0009235500000000, -0.0028304200000000, 0.0003291900000000 ] - [ 0.0011883100000000, 0.0010150800000000, -0.0003629400000000 ] - [ 0.0009247200000000, -0.0008392900000000, 0.0001298400000000 ] - [ 0.0010600400000000, 0.0004403400000000, 0.0000245800000000 ] - [ -0.0002566600000000, 0.0004836000000000, -0.0031901100000000 ] - [ -0.0005924100000000, 0.0015002800000000, -0.0015958800000000 ] - [ -0.0003742300000000, -0.0001564500000000, -0.0006196300000000 ] - [ -0.0010265500000000, 0.0018516500000000, -0.0024011900000000 ] - [ 0.0000621200000000, -0.0005525600000000, -0.0003013600000000 ] - [ -0.0003824800000000, -0.0000739400000000, -0.0004389700000000 ] - [ 0.0001417800000000, -0.0014082400000000, -0.0002448000000000 ] - [ -0.0000779000000000, -0.0011198400000000, -0.0001193600000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010714800000000, -0.0014587200000000, 0.0018557500000000 ] - [ -0.0012961600000000, 0.0005185300000000, -0.0034523100000000 ] - [ 0.0015244500000000, -0.0020256500000000, -0.0066458500000000 ] - [ -0.0011866000000000, 0.0004421200000000, -0.0016238000000000 ] - [ 0.0011095400000000, 0.0066267800000000, -0.0018574600000000 ] - [ -0.0047210000000000, 0.0053739900000000, -0.0030136700000000 ] - [ -0.0007304200000000, 0.0013847400000000, -0.0026403900000000 ] - [ -0.0011513700000000, 0.0010512900000000, -0.0024477000000000 ] - [ -0.0038001300000000, -0.0073133100000000, -0.0079366000000000 ] - [ 0.0019759100000000, 0.0044409600000000, 0.0006245600000000 ] - [ 0.0012293800000000, -0.0010741000000000, -0.0002568500000000 ] - [ 0.0017849100000000, 0.0005302300000000, -0.0015781700000000 ] - [ -0.0008408600000000, -0.0159725400000000, -0.0007809900000000 ] - [ -0.0024081200000000, 0.0035665900000000, 0.0004227800000000 ] - [ -0.0013742800000000, -0.0015080000000000, 0.0006061200000000 ] - [ -0.0017659000000000, 0.0006541100000000, 0.0011842700000000 ] - [ 0.0005660400000000, 0.0036901600000000, 0.0015928000000000 ] - [ 0.0029905300000000, 0.0055763900000000, -0.0064245100000000 ] - [ 0.0017409300000000, 0.0014564000000000, -0.0027975700000000 ] - [ 0.0012571600000000, 0.0005527900000000, 0.0005591900000000 ] - [ -0.0027393300000000, -0.0113618000000000, 0.0008927300000000 ] - [ -0.0015729200000000, 0.0027243400000000, 0.0010838500000000 ] - [ -0.0021729900000000, -0.0027411200000000, 0.0010591600000000 ] - [ -0.0017022400000000, 0.0021506400000000, 0.0014343300000000 ] - [ 0.0024422000000000, -0.0037350700000000, 0.0016822800000000 ] - [ 0.0008662700000000, 0.0012329800000000, 0.0026676700000000 ] - [ 0.0011180200000000, -0.0019503400000000, 0.0029807500000000 ] - [ 0.0009516900000000, -0.0002320900000000, 0.0021569900000000 ] - [ 0.0013525400000000, -0.0020549000000000, 0.0029328900000000 ] - [ 0.0011722900000000, 0.0031833900000000, 0.0027277200000000 ] - [ 0.0009606800000000, -0.0009621900000000, 0.0025184200000000 ] - [ 0.0011245700000000, 0.0023447500000000, 0.0023712400000000 ] - [ -0.0020813900000000, -0.0006893000000000, -0.0039844800000000 ] - [ -0.0007849200000000, 0.0026900300000000, -0.0000674000000000 ] - [ -0.0027634000000000, -0.0006497500000000, 0.0006348300000000 ] - [ -0.0008005000000000, 0.0028999600000000, -0.0017484500000000 ] - [ -0.0232592100000000, -0.0326961900000000, -0.0036707500000000 ] - [ -0.0011442100000000, 0.0018055900000000, -0.0011572100000000 ] - [ -0.0009558200000000, -0.0025625700000000, -0.0011035800000000 ] - [ -0.0009413700000000, 0.0001323200000000, -0.0010001400000000 ] - [ -0.0017818700000000, -0.0031175100000000, 0.0004753500000000 ] - [ 0.0014880000000000, 0.0033463300000000, 0.0009103200000000 ] - [ 0.0007010300000000, 0.0001584700000000, 0.0009586200000000 ] - [ 0.0010586100000000, 0.0017044100000000, 0.0011672100000000 ] - [ -0.0012667800000000, -0.0003261300000000, 0.0005257300000000 ] - [ 0.0029636500000000, 0.0000046100000000, 0.0034710400000000 ] - [ 0.0008173900000000, -0.0002248700000000, 0.0013564500000000 ] - [ 0.0012775900000000, -0.0006721600000000, 0.0000182100000000 ] - [ 0.0089910700000000, 0.0032991600000000, 0.0011749700000000 ] - [ 0.0001850800000000, -0.0008811000000000, 0.0001878700000000 ] - [ -0.0002576400000000, 0.0021755700000000, 0.0001595500000000 ] - [ 0.0001240600000000, 0.0006108900000000, 0.0002572500000000 ] - [ 0.0001400100000000, -0.0024026000000000, 0.0030243400000000 ] - [ 0.0011213000000000, -0.0010338900000000, 0.0005197000000000 ] - [ 0.0005754500000000, -0.0013059900000000, 0.0013293800000000 ] - [ 0.0007629700000000, -0.0007457500000000, 0.0026884800000000 ] - [ -0.0173309700000000, -0.0056108600000000, 0.0105377200000000 ] - [ -0.0004540500000000, -0.0013552200000000, -0.0000844300000000 ] - [ -0.0008689400000000, 0.0008419900000000, -0.0005425000000000 ] - [ -0.0010163400000000, -0.0002935200000000, 0.0003594200000000 ] - [ 0.0005143500000000, 0.0008196100000000, 0.0002978600000000 ] - [ -0.0002620300000000, -0.0025775100000000, 0.0001255600000000 ] - [ 0.0000638000000000, 0.0010553500000000, 0.0003042300000000 ] - [ -0.0003209600000000, -0.0028460400000000, 0.0002041900000000 ] - [ 0.0499580400000000, 0.0760053300000000, 0.0049281100000000 ] - [ 0.0013974000000000, -0.0019427700000000, 0.0002105600000000 ] - [ 0.0018556800000000, 0.0005812700000000, 0.0002810500000000 ] - [ 0.0015408200000000, -0.0008278500000000, 0.0001953300000000 ] - [ 0.0015988900000000, -0.0047595600000000, 0.0011156500000000 ] - [ 0.0016803500000000, -0.0096514400000000, 0.0010470800000000 ] - [ 0.0012323700000000, -0.0003590400000000, 0.0016341400000000 ] - [ 0.0012085800000000, -0.0001224700000000, 0.0011566700000000 ] - [ -0.0071309400000000, -0.0014528100000000, -0.0039522300000000 ] - [ 0.0007465300000000, -0.0007258100000000, 0.0021553700000000 ] - [ 0.0002679100000000, 0.0017451400000000, 0.0028878000000000 ] - [ 0.0006908400000000, 0.0002229900000000, 0.0015538800000000 ] - [ -0.0009466700000000, -0.0013767100000000, -0.0013220600000000 ] - [ -0.0001022700000000, -0.0011080600000000, 0.0023684400000000 ] - [ -0.0010554700000000, -0.0007336500000000, 0.0005908200000000 ] - [ -0.0006204700000000, -0.0003408900000000, -0.0005653500000000 ] - [ 0.0012208700000000, 0.0012087700000000, 0.0022191800000000 ] - [ 0.0019643400000000, -0.0007772200000000, -0.0000564300000000 ] - [ 0.0026276900000000, 0.0012150600000000, -0.0026641400000000 ] - [ 0.0017842700000000, -0.0007805600000000, 0.0006401400000000 ] - [ 0.0023953900000000, 0.0005498900000000, -0.0011368700000000 ] - [ 0.0010175800000000, -0.0014522500000000, 0.0021512700000000 ] - [ 0.0005660400000000, 0.0012162000000000, 0.0052556100000000 ] - [ 0.0014789000000000, -0.0007497000000000, 0.0005415600000000 ] - [ -0.0000540100000000, 0.0071783800000000, -0.0017867700000000 ] - [ -0.0017951400000000, -0.0025920400000000, -0.0015196400000000 ] - [ -0.0008362000000000, 0.0008430400000000, -0.0019541000000000 ] - [ -0.0013117300000000, -0.0009269300000000, -0.0012566500000000 ] - [ 0.0018040200000000, -0.0035320800000000, 0.0026728900000000 ] - [ -0.0023891000000000, -0.0035578200000000, -0.0037177900000000 ] - [ -0.0012821300000000, -0.0005219400000000, -0.0007069400000000 ] - [ -0.0019698400000000, -0.0005202700000000, 0.0006809200000000 ] - [ -0.0038397500000000, 0.0006570200000000, -0.0015823200000000 ] - [ 0.0015082100000000, -0.0009158000000000, -0.0001102600000000 ] - [ 0.0009355800000000, 0.0006760900000000, 0.0003230800000000 ] - [ 0.0010586500000000, -0.0003334500000000, -0.0001855500000000 ] - [ -0.0005017800000000, 0.0021736300000000, -0.0016039200000000 ] - [ -0.0007272900000000, -0.0021791400000000, -0.0020888000000000 ] - [ -0.0005798400000000, -0.0001340600000000, -0.0018524800000000 ] - [ -0.0006436900000000, -0.0013279400000000, -0.0018814900000000 ] - [ -0.0135677200000000, -0.0032202100000000, 0.0042021500000000 ] - [ -0.0007591800000000, -0.0015716600000000, -0.0016684000000000 ] - [ -0.0013194200000000, 0.0009859900000000, -0.0015355100000000 ] - [ -0.0010228600000000, -0.0007221100000000, -0.0011489600000000 ] - [ 0.0073640600000000, -0.0020906400000000, -0.0016934300000000 ] - [ -0.0024657000000000, -0.0014632000000000, 0.0000231900000000 ] - [ -0.0012658200000000, 0.0006594700000000, -0.0000740600000000 ] - [ -0.0018507900000000, -0.0002178500000000, -0.0004173900000000 ] - [ -0.0002400800000000, 0.0020589800000000, -0.0000414600000000 ] - [ -0.0005777000000000, 0.0000370400000000, -0.0005723200000000 ] - [ -0.0007045100000000, 0.0013494000000000, -0.0008858100000000 ] - [ 0.0000284800000000, 0.0007230200000000, 0.0000152500000000 ] - [ 0.0010887200000000, 0.0024874500000000, -0.0004112900000000 ] - [ 0.0008010100000000, -0.0014025400000000, 0.0003286600000000 ] - [ 0.0010779900000000, 0.0005121100000000, -0.0002331800000000 ] - [ 0.0009464900000000, -0.0007792900000000, -0.0001131000000000 ] - [ -0.0010070700000000, 0.0011204100000000, -0.0005502700000000 ] - [ -0.0006534000000000, 0.0001152000000000, -0.0021384900000000 ] - [ -0.0008715100000000, 0.0017590400000000, -0.0031065400000000 ] - [ -0.0002272400000000, -0.0002233300000000, -0.0013441100000000 ] - [ -0.0000434000000000, -0.0020788300000000, -0.0000972100000000 ] - [ 0.0003912700000000, -0.0025236100000000, 0.0000321400000000 ] - [ -0.0000995500000000, -0.0012487900000000, -0.0001703700000000 ] - [ 0.0000979900000000, -0.0015013200000000, -0.0002922100000000 ]- atom: 65 displacement: [ -0.0019782548681478, 0.0000000000000000, 0.0098023725534510 ] forces: - [ -0.0023816800000000, -0.0037268900000000, -0.0069426900000000 ] - [ -0.0011247700000000, -0.0000145100000000, -0.0025806300000000 ] - [ 0.0018164900000000, -0.0000247100000000, -0.0069671900000000 ] - [ -0.0010481300000000, -0.0015719000000000, -0.0026374500000000 ] - [ -0.0003936800000000, 0.0010777900000000, 0.0041587900000000 ] - [ -0.0010187000000000, 0.0011491200000000, 0.0002070100000000 ] - [ -0.0009320000000000, 0.0009782600000000, -0.0043276500000000 ] - [ -0.0008095700000000, 0.0012609400000000, -0.0043970800000000 ] - [ -0.0042292200000000, 0.0070150800000000, 0.0067938900000000 ] - [ 0.0018974700000000, -0.0013601100000000, -0.0001408100000000 ] - [ 0.0018762000000000, -0.0021156300000000, -0.0052273100000000 ] - [ 0.0018099900000000, 0.0000644200000000, -0.0020446800000000 ] - [ -0.0045198300000000, 0.0000877400000000, 0.0164467200000000 ] - [ -0.0019818700000000, 0.0005867100000000, 0.0025504700000000 ] - [ -0.0010316500000000, 0.0013704700000000, -0.0025362900000000 ] - [ -0.0015943500000000, -0.0007500500000000, -0.0000097700000000 ] - [ 0.0019893400000000, -0.0038036900000000, 0.0011111000000000 ] - [ 0.0019494500000000, 0.0053470900000000, -0.0000492700000000 ] - [ 0.0018452600000000, 0.0016131200000000, -0.0035688300000000 ] - [ 0.0018517600000000, -0.0008147900000000, -0.0034551600000000 ] - [ 0.0092591700000000, -0.0003451300000000, -0.0024197400000000 ] - [ -0.0016092200000000, 0.0003843300000000, 0.0017116900000000 ] - [ -0.0014467400000000, 0.0002525200000000, -0.0043230800000000 ] - [ -0.0017068600000000, 0.0003415500000000, 0.0004117300000000 ] - [ 0.0027357700000000, -0.0003302400000000, 0.0059610200000000 ] - [ 0.0009449800000000, -0.0017072900000000, 0.0036729300000000 ] - [ 0.0009270500000000, -0.0010878400000000, 0.0002771800000000 ] - [ 0.0010240300000000, -0.0010020300000000, 0.0012223400000000 ] - [ -0.0019566600000000, 0.0010355400000000, 0.0024398200000000 ] - [ 0.0010273600000000, 0.0011274400000000, 0.0027707700000000 ] - [ 0.0018723300000000, 0.0017040700000000, 0.0010533200000000 ] - [ 0.0008866400000000, 0.0010038400000000, 0.0022029600000000 ] - [ -0.0038081100000000, 0.0041469200000000, -0.0037378400000000 ] - [ -0.0009440800000000, 0.0002820100000000, -0.0012376700000000 ] - [ 0.0019186300000000, -0.0014136800000000, -0.0017678800000000 ] - [ -0.0009987100000000, 0.0016379700000000, -0.0014833300000000 ] - [ -0.0221819700000000, -0.0029636500000000, 0.0273686300000000 ] - [ -0.0007431400000000, -0.0009673300000000, -0.0001010700000000 ] - [ -0.0010283500000000, -0.0009585300000000, -0.0032618400000000 ] - [ -0.0009487100000000, -0.0008852300000000, -0.0017485800000000 ] - [ 0.0021028000000000, 0.0008248200000000, 0.0045128100000000 ] - [ 0.0010485100000000, 0.0011472200000000, 0.0017335400000000 ] - [ 0.0008672200000000, 0.0011127900000000, -0.0011335000000000 ] - [ 0.0007274000000000, 0.0009882300000000, 0.0002189400000000 ] - [ -0.0009049100000000, 0.0001549000000000, 0.0014054500000000 ] - [ -0.0003184300000000, -0.0019375900000000, 0.0001131400000000 ] - [ 0.0009688700000000, -0.0024449400000000, 0.0006255100000000 ] - [ 0.0011157600000000, -0.0003628400000000, 0.0005837100000000 ] - [ -0.0004891700000000, 0.0013389100000000, -0.0048280200000000 ] - [ -0.0001022400000000, 0.0012308600000000, -0.0001754600000000 ] - [ 0.0001251300000000, 0.0012442000000000, 0.0010121800000000 ] - [ 0.0000403000000000, 0.0013358200000000, 0.0005959000000000 ] - [ 0.0004246400000000, -0.0025178200000000, 0.0017029800000000 ] - [ 0.0003077000000000, 0.0000429500000000, 0.0009619000000000 ] - [ 0.0005788100000000, -0.0000904000000000, 0.0026652700000000 ] - [ 0.0009243200000000, -0.0019341600000000, 0.0030798700000000 ] - [ -0.0175533300000000, -0.0146921300000000, 0.0013495000000000 ] - [ -0.0011206400000000, 0.0003676900000000, -0.0004860000000000 ] - [ -0.0008737400000000, -0.0000879000000000, 0.0020944000000000 ] - [ -0.0010481800000000, -0.0000772400000000, 0.0006464300000000 ] - [ 0.0010617500000000, -0.0018031900000000, 0.0014002700000000 ] - [ 0.0001530400000000, -0.0011424100000000, 0.0002531900000000 ] - [ -0.0005079600000000, -0.0006955600000000, 0.0006538000000000 ] - [ -0.0001687900000000, -0.0017253600000000, 0.0002700100000000 ] - [ 0.0316340300000000, 0.0050989200000000, -0.0527663300000000 ] - [ 0.0016224700000000, -0.0002820800000000, -0.0003870600000000 ] - [ 0.0015593700000000, -0.0002627600000000, 0.0020455800000000 ] - [ 0.0015926800000000, -0.0002428500000000, 0.0006940700000000 ] - [ 0.0013863100000000, -0.0019403600000000, -0.0023434200000000 ] - [ 0.0005989900000000, 0.0016291300000000, -0.0021072800000000 ] - [ 0.0011033300000000, 0.0004515300000000, 0.0027927300000000 ] - [ 0.0012400400000000, -0.0006754100000000, 0.0027832900000000 ] - [ 0.0086854700000000, 0.0073649200000000, 0.0004345200000000 ] - [ 0.0006578600000000, 0.0004887500000000, 0.0010672100000000 ] - [ 0.0003630700000000, 0.0012674400000000, 0.0039973800000000 ] - [ 0.0005753000000000, 0.0008785900000000, 0.0025116200000000 ] - [ -0.0007561400000000, 0.0010239200000000, -0.0007357800000000 ] - [ 0.0001310700000000, -0.0022682900000000, -0.0004230300000000 ] - [ -0.0011640200000000, -0.0006057400000000, 0.0009092200000000 ] - [ -0.0016715200000000, 0.0008071600000000, 0.0010924200000000 ] - [ 0.0015921200000000, -0.0027934800000000, 0.0040741000000000 ] - [ 0.0014630000000000, 0.0006267100000000, 0.0003127000000000 ] - [ 0.0006297700000000, 0.0022861900000000, 0.0038453600000000 ] - [ 0.0017154000000000, -0.0000937900000000, 0.0003651100000000 ] - [ 0.0009737800000000, 0.0049066500000000, 0.0055219600000000 ] - [ 0.0010606900000000, -0.0005668400000000, 0.0015357700000000 ] - [ 0.0005771000000000, -0.0008034600000000, 0.0043116200000000 ] - [ 0.0010896300000000, 0.0005390200000000, 0.0014834700000000 ] - [ 0.0058381100000000, -0.0002661700000000, 0.0067382900000000 ] - [ -0.0011902400000000, -0.0001295300000000, -0.0015058300000000 ] - [ -0.0035790000000000, -0.0003720100000000, 0.0051200000000000 ] - [ -0.0012255400000000, -0.0001578700000000, -0.0011875100000000 ] - [ 0.0012409700000000, -0.0034958000000000, 0.0019478300000000 ] - [ -0.0012657700000000, 0.0019211100000000, 0.0014464900000000 ] - [ -0.0020868400000000, 0.0007188700000000, 0.0001193400000000 ] - [ -0.0019111900000000, -0.0007929100000000, 0.0001560900000000 ] - [ 0.0048979100000000, 0.0003315900000000, -0.0008935100000000 ] - [ 0.0014512300000000, -0.0003471300000000, -0.0010715000000000 ] - [ 0.0006895800000000, -0.0001751700000000, 0.0008283400000000 ] - [ 0.0008641900000000, 0.0006843600000000, 0.0006480300000000 ] - [ -0.0006429300000000, -0.0013433300000000, -0.0046135200000000 ] - [ -0.0006047100000000, -0.0008533500000000, -0.0025026300000000 ] - [ -0.0008696200000000, -0.0004587500000000, 0.0000316400000000 ] - [ -0.0006027800000000, -0.0007097500000000, -0.0012612100000000 ] - [ -0.0086731400000000, -0.0070224400000000, -0.0065230400000000 ] - [ -0.0012554800000000, 0.0007666200000000, -0.0023683600000000 ] - [ -0.0011656300000000, 0.0005555200000000, 0.0007517000000000 ] - [ -0.0010993300000000, -0.0001575800000000, -0.0004498400000000 ] - [ -0.0048825900000000, 0.0034851500000000, -0.0040089700000000 ] - [ -0.0016181500000000, -0.0001636700000000, -0.0009990700000000 ] - [ -0.0017879300000000, 0.0001775400000000, 0.0014193000000000 ] - [ -0.0015706700000000, 0.0003914000000000, 0.0004665900000000 ] - [ -0.0000182300000000, 0.0009015400000000, -0.0003116300000000 ] - [ 0.0003933700000000, 0.0019047800000000, -0.0001343200000000 ] - [ 0.0006776500000000, 0.0022171300000000, 0.0005141800000000 ] - [ -0.0000287500000000, 0.0008856300000000, -0.0001388100000000 ] - [ -0.0020242000000000, 0.0003874300000000, -0.0020773700000000 ] - [ 0.0009775000000000, -0.0000780300000000, -0.0003520300000000 ] - [ 0.0015849800000000, -0.0005629300000000, 0.0020094900000000 ] - [ 0.0010362800000000, -0.0002313500000000, 0.0003612500000000 ] - [ -0.0007749400000000, 0.0002513600000000, -0.0021361800000000 ] - [ -0.0005546700000000, 0.0013189000000000, -0.0021241300000000 ] - [ -0.0005548800000000, 0.0010163700000000, -0.0008361600000000 ] - [ -0.0003070200000000, 0.0000937700000000, -0.0012067500000000 ] - [ -0.0006351100000000, -0.0001690800000000, -0.0014075500000000 ] - [ -0.0001905200000000, -0.0015593400000000, -0.0007757800000000 ] - [ 0.0001260400000000, -0.0013788000000000, 0.0003849100000000 ] - [ 0.0001294900000000, -0.0013185400000000, 0.0002766500000000 ]- atom: 65 displacement: [ 0.0019782548681478, 0.0000000000000000, -0.0098023725534510 ] forces: - [ 0.0003791600000000, 0.0015763300000000, 0.0020197300000000 ] - [ -0.0008463300000000, -0.0021224800000000, -0.0023681100000000 ] - [ -0.0037696100000000, -0.0021271200000000, 0.0019876100000000 ] - [ -0.0009227300000000, -0.0005561000000000, -0.0023244400000000 ] - [ -0.0015613400000000, 0.0011013600000000, -0.0091049700000000 ] - [ -0.0009544200000000, 0.0009361000000000, -0.0051564000000000 ] - [ -0.0010380800000000, 0.0011605600000000, -0.0006359100000000 ] - [ -0.0011704500000000, 0.0008691100000000, -0.0005534800000000 ] - [ 0.0075094000000000, -0.0073695300000000, -0.0093657200000000 ] - [ 0.0014890500000000, 0.0006516600000000, -0.0020943600000000 ] - [ 0.0015176500000000, 0.0014012400000000, 0.0029643100000000 ] - [ 0.0015828300000000, -0.0007673400000000, -0.0001948700000000 ] - [ 0.0008999100000000, -0.0010993600000000, -0.0143922400000000 ] - [ -0.0014148800000000, -0.0012973400000000, -0.0003205400000000 ] - [ -0.0023563300000000, -0.0020693700000000, 0.0047543100000000 ] - [ -0.0017989300000000, 0.0000374700000000, 0.0022416200000000 ] - [ 0.0013896800000000, 0.0044833600000000, -0.0033212400000000 ] - [ 0.0014429300000000, -0.0046194900000000, -0.0021692200000000 ] - [ 0.0015406400000000, -0.0009076700000000, 0.0013281200000000 ] - [ 0.0015447800000000, 0.0015375800000000, 0.0012200100000000 ] - [ -0.0129545400000000, 0.0011100400000000, 0.0050864700000000 ] - [ -0.0017841900000000, 0.0003288300000000, 0.0005268600000000 ] - [ -0.0019451400000000, 0.0004391100000000, 0.0065704100000000 ] - [ -0.0016825900000000, 0.0003632700000000, 0.0018170000000000 ] - [ -0.0007091600000000, -0.0018075800000000, -0.0009924700000000 ] - [ 0.0010260700000000, -0.0004296600000000, 0.0012864500000000 ] - [ 0.0010542600000000, -0.0010469100000000, 0.0046651400000000 ] - [ 0.0009475400000000, -0.0011338100000000, 0.0037271600000000 ] - [ 0.0039352100000000, 0.0011059800000000, 0.0025119700000000 ] - [ 0.0009384600000000, 0.0010026800000000, 0.0021867000000000 ] - [ 0.0001108300000000, 0.0004363700000000, 0.0039051800000000 ] - [ 0.0010856700000000, 0.0011271800000000, 0.0027422600000000 ] - [ 0.0019777300000000, -0.0021769500000000, 0.0017847200000000 ] - [ -0.0008440800000000, 0.0016639500000000, -0.0006987600000000 ] - [ -0.0037342700000000, 0.0033644100000000, -0.0001839500000000 ] - [ -0.0007939600000000, 0.0003101800000000, -0.0004676100000000 ] - [ 0.0198288000000000, 0.0009592300000000, -0.0291074400000000 ] - [ -0.0010464200000000, -0.0009751100000000, -0.0018360900000000 ] - [ -0.0007670600000000, -0.0009866900000000, 0.0013147900000000 ] - [ -0.0008385200000000, -0.0010522000000000, -0.0001911100000000 ] - [ -0.0003023700000000, 0.0010979200000000, -0.0025574100000000 ] - [ 0.0007456400000000, 0.0007844400000000, 0.0002129500000000 ] - [ 0.0009254600000000, 0.0008260300000000, 0.0030708400000000 ] - [ 0.0010648900000000, 0.0009589000000000, 0.0017208400000000 ] - [ 0.0027016900000000, -0.0020881800000000, 0.0005332400000000 ] - [ 0.0021098500000000, 0.0000017200000000, 0.0018228900000000 ] - [ 0.0008255600000000, 0.0005094600000000, 0.0013168100000000 ] - [ 0.0006824600000000, -0.0015750900000000, 0.0013677100000000 ] - [ 0.0003561100000000, 0.0013361400000000, 0.0052145700000000 ] - [ 0.0000656500000000, 0.0014112100000000, 0.0005837100000000 ] - [ -0.0001264500000000, 0.0013377600000000, -0.0005993600000000 ] - [ -0.0000866500000000, 0.0013363400000000, -0.0001992600000000 ] - [ 0.0008160900000000, 0.0009076700000000, 0.0020314500000000 ] - [ 0.0009282500000000, -0.0015932000000000, 0.0027433200000000 ] - [ 0.0006664200000000, -0.0014739500000000, 0.0010352000000000 ] - [ 0.0003296900000000, 0.0003195600000000, 0.0006423700000000 ] - [ 0.0156316200000000, 0.0151228100000000, -0.0011704400000000 ] - [ -0.0008881900000000, -0.0000368100000000, 0.0006023000000000 ] - [ -0.0011274700000000, 0.0004703600000000, -0.0020432100000000 ] - [ -0.0009545000000000, 0.0003935700000000, -0.0005410500000000 ] - [ -0.0010410400000000, -0.0007754300000000, -0.0009953200000000 ] - [ -0.0001698400000000, -0.0014658500000000, 0.0001467200000000 ] - [ 0.0004685600000000, -0.0019528500000000, -0.0002367900000000 ] - [ 0.0001701900000000, -0.0008631500000000, 0.0001401700000000 ] - [ -0.0269832000000000, -0.0057813800000000, 0.0531260700000000 ] - [ 0.0016668400000000, -0.0001893300000000, 0.0007985900000000 ] - [ 0.0016886100000000, -0.0002146600000000, -0.0016299800000000 ] - [ 0.0017204500000000, -0.0002240700000000, -0.0002755200000000 ] - [ 0.0010141500000000, 0.0016344900000000, 0.0050665400000000 ] - [ 0.0018091700000000, -0.0019015100000000, 0.0048337200000000 ] - [ 0.0012933700000000, -0.0007421400000000, -0.0000764500000000 ] - [ 0.0011543700000000, 0.0003667500000000, -0.0000614300000000 ] - [ -0.0074279900000000, -0.0058037300000000, 0.0032102800000000 ] - [ 0.0005732200000000, 0.0010724700000000, 0.0026116500000000 ] - [ 0.0008792000000000, 0.0003434700000000, -0.0002622800000000 ] - [ 0.0006475500000000, 0.0006506100000000, 0.0011621700000000 ] - [ -0.0012444600000000, -0.0013806700000000, 0.0007981000000000 ] - [ -0.0021150700000000, 0.0018850700000000, 0.0004742200000000 ] - [ -0.0008424900000000, 0.0002517400000000, -0.0008266700000000 ] - [ -0.0003295500000000, -0.0011536000000000, -0.0010005800000000 ] - [ 0.0016501300000000, 0.0032380300000000, -0.0036240000000000 ] - [ 0.0018031700000000, -0.0001501200000000, 0.0000992400000000 ] - [ 0.0026635800000000, -0.0018304500000000, -0.0034576100000000 ] - [ 0.0015430400000000, 0.0005721400000000, 0.0000546100000000 ] - [ 0.0014236100000000, -0.0045525500000000, -0.0027740500000000 ] - [ 0.0013415200000000, 0.0008609000000000, 0.0011778500000000 ] - [ 0.0018242700000000, 0.0011109400000000, -0.0015766900000000 ] - [ 0.0013020000000000, -0.0002436200000000, 0.0012381900000000 ] - [ -0.0083095600000000, -0.0000174700000000, -0.0095015900000000 ] - [ -0.0012033600000000, -0.0001712800000000, -0.0012126100000000 ] - [ 0.0011654700000000, 0.0000737400000000, -0.0077840500000000 ] - [ -0.0011712700000000, -0.0001376000000000, -0.0015358800000000 ] - [ -0.0045336700000000, 0.0030424100000000, -0.0023724400000000 ] - [ -0.0020051800000000, -0.0023963400000000, -0.0018550900000000 ] - [ -0.0012107300000000, -0.0011780900000000, -0.0005417800000000 ] - [ -0.0013705700000000, 0.0003111800000000, -0.0005743900000000 ] - [ -0.0029151800000000, 0.0000163100000000, 0.0008091600000000 ] - [ 0.0005638700000000, 0.0007031400000000, 0.0009933000000000 ] - [ 0.0013170900000000, 0.0005274100000000, -0.0009080700000000 ] - [ 0.0011442200000000, -0.0003309000000000, -0.0007385900000000 ] - [ -0.0006003200000000, -0.0002280400000000, 0.0009269700000000 ] - [ -0.0006428400000000, -0.0007393900000000, -0.0012181800000000 ] - [ -0.0003663400000000, -0.0011070400000000, -0.0037263000000000 ] - [ -0.0006421100000000, -0.0008883200000000, -0.0024613700000000 ] - [ 0.0062470500000000, 0.0072832800000000, 0.0037518400000000 ] - [ -0.0011402200000000, -0.0004675800000000, -0.0003529100000000 ] - [ -0.0012276400000000, -0.0002606300000000, -0.0034647500000000 ] - [ -0.0012999300000000, 0.0004604500000000, -0.0022640700000000 ] - [ 0.0016105800000000, -0.0030041400000000, 0.0035609300000000 ] - [ -0.0016452000000000, 0.0006420500000000, 0.0005815800000000 ] - [ -0.0014959300000000, 0.0002999800000000, -0.0018337400000000 ] - [ -0.0016876100000000, 0.0000788500000000, -0.0008750200000000 ] - [ 0.0000228500000000, 0.0017046300000000, -0.0000918500000000 ] - [ -0.0003770000000000, 0.0007055200000000, -0.0002656000000000 ] - [ -0.0006583700000000, 0.0004094800000000, -0.0009288100000000 ] - [ 0.0000465500000000, 0.0017318100000000, -0.0002734900000000 ] - [ 0.0039867600000000, -0.0007179700000000, 0.0019453000000000 ] - [ 0.0010256400000000, -0.0002960900000000, 0.0002988500000000 ] - [ 0.0004179600000000, 0.0002193000000000, -0.0020951100000000 ] - [ 0.0009726900000000, -0.0001173900000000, -0.0004441300000000 ] - [ -0.0004625100000000, 0.0013109900000000, -0.0015826700000000 ] - [ -0.0006854400000000, 0.0002681900000000, -0.0015830200000000 ] - [ -0.0006918100000000, 0.0005710500000000, -0.0028764600000000 ] - [ -0.0009249500000000, 0.0015012800000000, -0.0024973300000000 ] - [ 0.0006543200000000, -0.0024541700000000, 0.0010039900000000 ] - [ 0.0002009400000000, -0.0010522200000000, 0.0003736500000000 ] - [ -0.0000970100000000, -0.0012461200000000, -0.0007913300000000 ] - [ -0.0001258700000000, -0.0012796800000000, -0.0006850600000000 ]- atom: 69 displacement: [ 0.0099846139444728, 0.0000000000000000, 0.0005545127409173 ] forces: - [ 0.0006733200000000, 0.0006874100000000, -0.0062833800000000 ] - [ -0.0005029800000000, -0.0014148400000000, -0.0028393300000000 ] - [ -0.0026307000000000, 0.0014747200000000, 0.0026239900000000 ] - [ -0.0009607500000000, -0.0013877400000000, -0.0021672500000000 ] - [ 0.0317687600000000, 0.0010185600000000, 0.0057281300000000 ] - [ -0.0007864300000000, 0.0016585100000000, -0.0023787000000000 ] - [ -0.0010918500000000, 0.0009950600000000, -0.0025602000000000 ] - [ -0.0010199500000000, 0.0012120100000000, -0.0025292400000000 ] - [ 0.0162722700000000, 0.0037142000000000, 0.0052703400000000 ] - [ 0.0036966400000000, 0.0017712100000000, 0.0004149400000000 ] - [ 0.0021955500000000, -0.0006705500000000, -0.0003396600000000 ] - [ 0.0018403400000000, -0.0001539500000000, -0.0009550100000000 ] - [ -0.0009654300000000, -0.0003316300000000, 0.0017225400000000 ] - [ 0.0201826800000000, -0.0113639200000000, 0.0063047900000000 ] - [ -0.0016239500000000, -0.0003362500000000, 0.0011867600000000 ] - [ -0.0014790900000000, -0.0002334900000000, 0.0014424300000000 ] - [ 0.0208052200000000, -0.0025142200000000, -0.0006752100000000 ] - [ 0.0020305200000000, 0.0007281500000000, -0.0010422400000000 ] - [ 0.0042168800000000, 0.0004536000000000, -0.0016587600000000 ] - [ 0.0019740300000000, 0.0007792600000000, -0.0012125500000000 ] - [ -0.0005163800000000, -0.0019642000000000, 0.0023768800000000 ] - [ -0.0004010000000000, 0.0034424800000000, 0.0035844600000000 ] - [ -0.0011160900000000, -0.0000243200000000, 0.0007975300000000 ] - [ -0.0000726300000000, -0.0000464300000000, -0.0006219000000000 ] - [ -0.0003707000000000, -0.0009491300000000, 0.0022141600000000 ] - [ -0.0079938900000000, -0.0033718600000000, 0.0020747900000000 ] - [ 0.0007939500000000, -0.0009730500000000, 0.0023149600000000 ] - [ 0.0005752000000000, -0.0012054100000000, 0.0015984400000000 ] - [ -0.0004271400000000, 0.0007645000000000, 0.0024359400000000 ] - [ -0.0026271200000000, 0.0015272400000000, 0.0016975600000000 ] - [ -0.0000230900000000, 0.0014124300000000, 0.0022474300000000 ] - [ -0.0000894500000000, 0.0007677000000000, 0.0022488200000000 ] - [ -0.0001580100000000, 0.0015967600000000, -0.0011768500000000 ] - [ 0.0018007300000000, -0.0031059700000000, -0.0047232000000000 ] - [ -0.0004361600000000, 0.0018169900000000, -0.0004408500000000 ] - [ 0.0006673600000000, -0.0044733000000000, 0.0052264500000000 ] - [ 0.0012935500000000, 0.0057446200000000, -0.0020640700000000 ] - [ 0.0027064000000000, -0.0059536500000000, -0.0007873600000000 ] - [ -0.0006290100000000, -0.0005469100000000, -0.0008031000000000 ] - [ -0.0005790800000000, -0.0011142700000000, -0.0008597300000000 ] - [ -0.0096723700000000, 0.0053939900000000, -0.0005113100000000 ] - [ 0.0001958000000000, 0.0015988000000000, 0.0008895000000000 ] - [ 0.0005321800000000, 0.0008003900000000, 0.0005230700000000 ] - [ 0.0007943700000000, 0.0013418400000000, 0.0004411800000000 ] - [ -0.0051052600000000, -0.0017924000000000, -0.0004487500000000 ] - [ 0.0005767500000000, -0.0004671200000000, 0.0009491000000000 ] - [ -0.0012782400000000, -0.0011919500000000, -0.0000454000000000 ] - [ 0.0007105800000000, -0.0008047500000000, 0.0008660900000000 ] - [ 0.0008357300000000, -0.0009688000000000, 0.0004584600000000 ] - [ 0.0029744100000000, 0.0085944200000000, 0.0011979400000000 ] - [ 0.0000901500000000, 0.0010737800000000, 0.0002094100000000 ] - [ 0.0001563700000000, 0.0016235100000000, 0.0003238000000000 ] - [ 0.0074802400000000, 0.0020198500000000, -0.0081137100000000 ] - [ 0.0006304100000000, -0.0010623500000000, 0.0016181600000000 ] - [ 0.0003824800000000, -0.0007384400000000, 0.0044371700000000 ] - [ 0.0005206400000000, -0.0009640300000000, 0.0020047600000000 ] - [ 0.0008964800000000, -0.0106115900000000, -0.0046892400000000 ] - [ -0.0019210000000000, 0.0008058700000000, -0.0004212800000000 ] - [ -0.0016610800000000, -0.0000833200000000, 0.0002128700000000 ] - [ -0.0012350000000000, 0.0001488000000000, 0.0001039600000000 ] - [ -0.0000806200000000, -0.0022609800000000, 0.0008044400000000 ] - [ 0.0001453200000000, -0.0001728000000000, 0.0008820400000000 ] - [ 0.0006678600000000, -0.0023154000000000, -0.0003134800000000 ] - [ 0.0010306800000000, 0.0005112100000000, -0.0004029900000000 ] - [ -0.0014783700000000, -0.0006175800000000, -0.0004428900000000 ] - [ -0.0022824500000000, -0.0007343300000000, -0.0013914400000000 ] - [ 0.0012948600000000, -0.0002960400000000, 0.0001288100000000 ] - [ 0.0012677200000000, -0.0002337500000000, 0.0002544200000000 ] - [ -0.1301361200000000, 0.0188354400000000, -0.0258489000000000 ] - [ 0.0007101000000000, -0.0005904900000000, 0.0009854900000000 ] - [ 0.0005363500000000, -0.0000839600000000, 0.0011909000000000 ] - [ 0.0010664600000000, -0.0002359400000000, 0.0013301400000000 ] - [ 0.0004867800000000, -0.0053474500000000, 0.0059198200000000 ] - [ 0.0001222500000000, 0.0016733400000000, 0.0021979200000000 ] - [ 0.0007934400000000, 0.0004388000000000, 0.0011007900000000 ] - [ 0.0006131900000000, 0.0008556900000000, 0.0017113300000000 ] - [ -0.0039367600000000, 0.0029959900000000, 0.0144754600000000 ] - [ -0.0013856300000000, -0.0002837500000000, 0.0001686800000000 ] - [ -0.0019155200000000, -0.0001022100000000, -0.0023245400000000 ] - [ -0.0011593700000000, -0.0003777400000000, -0.0001548500000000 ] - [ 0.0010711000000000, 0.0004835500000000, -0.0000076600000000 ] - [ -0.0012840900000000, -0.0001747300000000, -0.0008461500000000 ] - [ 0.0012034800000000, 0.0001086200000000, -0.0000107600000000 ] - [ -0.0016428300000000, 0.0013046800000000, -0.0004300300000000 ] - [ -0.0012375700000000, 0.0021813600000000, -0.0001809100000000 ] - [ 0.0004469200000000, -0.0006731500000000, 0.0008947600000000 ] - [ -0.0013356300000000, -0.0000940800000000, 0.0015831500000000 ] - [ 0.0004155400000000, -0.0002893900000000, 0.0014502000000000 ] - [ 0.0003383800000000, 0.0013261200000000, -0.0007723800000000 ] - [ -0.0000446400000000, -0.0091323800000000, 0.0052408300000000 ] - [ -0.0009587300000000, -0.0000040200000000, -0.0015603700000000 ] - [ -0.0009546100000000, -0.0001643200000000, -0.0017331300000000 ] - [ 0.0011526500000000, 0.0008661900000000, 0.0080030400000000 ] - [ -0.0016269400000000, -0.0008428800000000, -0.0002059800000000 ] - [ 0.0003710000000000, 0.0000887500000000, -0.0018682300000000 ] - [ -0.0015288300000000, -0.0003534800000000, -0.0002083600000000 ] - [ 0.0012125900000000, 0.0000405100000000, -0.0001922800000000 ] - [ 0.0055067500000000, 0.0004881800000000, 0.0006381500000000 ] - [ 0.0010698600000000, 0.0001462400000000, 0.0000633600000000 ] - [ 0.0014328700000000, 0.0000988200000000, 0.0001897000000000 ] - [ 0.0013306900000000, -0.0010495300000000, -0.0015982800000000 ] - [ 0.0005580000000000, -0.0008560800000000, -0.0022891100000000 ] - [ -0.0004730800000000, -0.0008172100000000, -0.0016692500000000 ] - [ -0.0004982200000000, -0.0007905900000000, -0.0014781900000000 ] - [ -0.0011416500000000, 0.0002935200000000, -0.0011961500000000 ] - [ 0.0082581100000000, -0.0089927400000000, -0.0075503200000000 ] - [ -0.0011932000000000, 0.0000902800000000, -0.0013264300000000 ] - [ -0.0013865700000000, 0.0002907800000000, -0.0010455300000000 ] - [ 0.0143565800000000, 0.0121484100000000, -0.0048249800000000 ] - [ -0.0015629200000000, -0.0001814800000000, -0.0003151800000000 ] - [ -0.0016938600000000, 0.0003736500000000, -0.0000667900000000 ] - [ -0.0016928000000000, 0.0000593500000000, -0.0000685300000000 ] - [ 0.0026685900000000, 0.0019687800000000, -0.0002239800000000 ] - [ 0.0004264500000000, 0.0009147700000000, -0.0001543500000000 ] - [ 0.0010814100000000, 0.0014935300000000, 0.0004914600000000 ] - [ 0.0001730200000000, 0.0012945400000000, -0.0001808400000000 ] - [ 0.0039376900000000, 0.0008783000000000, -0.0010838400000000 ] - [ 0.0020824000000000, -0.0007218200000000, -0.0001857700000000 ] - [ 0.0011894400000000, -0.0000495900000000, 0.0001395200000000 ] - [ 0.0012654200000000, -0.0003437500000000, 0.0009111300000000 ] - [ -0.0004066200000000, 0.0007243300000000, -0.0017597400000000 ] - [ 0.0007808700000000, 0.0013726200000000, -0.0013963200000000 ] - [ -0.0004449100000000, 0.0006324300000000, -0.0017825600000000 ] - [ 0.0005631900000000, 0.0003625300000000, -0.0008350100000000 ] - [ 0.0179644500000000, -0.0058925900000000, 0.0019499400000000 ] - [ 0.0004309100000000, -0.0017120200000000, -0.0001669500000000 ] - [ 0.0004114200000000, -0.0012042400000000, 0.0000927900000000 ] - [ 0.0001515900000000, -0.0014956600000000, -0.0001034200000000 ]- atom: 69 displacement: [ -0.0099846139444728, 0.0000000000000000, -0.0005545127409173 ] forces: - [ -0.0026299100000000, -0.0028327500000000, 0.0012997800000000 ] - [ -0.0014954400000000, -0.0007151600000000, -0.0021151100000000 ] - [ 0.0006708900000000, -0.0035973600000000, -0.0075529000000000 ] - [ -0.0010167600000000, -0.0007511900000000, -0.0027908200000000 ] - [ -0.0307337800000000, 0.0009000100000000, -0.0098142700000000 ] - [ -0.0011805200000000, 0.0004936200000000, -0.0025815100000000 ] - [ -0.0008898500000000, 0.0011403000000000, -0.0023880400000000 ] - [ -0.0009746600000000, 0.0009334800000000, -0.0024231700000000 ] - [ -0.0128439500000000, -0.0045544800000000, -0.0076056100000000 ] - [ -0.0003103400000000, -0.0024731400000000, -0.0026564400000000 ] - [ 0.0011991500000000, -0.0000423100000000, -0.0019070000000000 ] - [ 0.0015498800000000, -0.0005588400000000, -0.0012924500000000 ] - [ -0.0024152700000000, -0.0003935500000000, 0.0005398900000000 ] - [ -0.0238497200000000, 0.0114397300000000, -0.0045204100000000 ] - [ -0.0017594600000000, -0.0003706800000000, 0.0010563700000000 ] - [ -0.0019138200000000, -0.0004675500000000, 0.0007923500000000 ] - [ -0.0176001900000000, 0.0032281200000000, -0.0010746100000000 ] - [ 0.0013614800000000, -0.0000253900000000, -0.0011979700000000 ] - [ -0.0008239000000000, 0.0002626100000000, -0.0005916000000000 ] - [ 0.0014176700000000, -0.0000692200000000, -0.0010380500000000 ] - [ -0.0028910600000000, 0.0026697900000000, -0.0001400700000000 ] - [ -0.0030003400000000, -0.0027334800000000, -0.0013316300000000 ] - [ -0.0022681100000000, 0.0007201100000000, 0.0014250200000000 ] - [ -0.0033159800000000, 0.0007566100000000, 0.0028580400000000 ] - [ 0.0023320200000000, -0.0011772100000000, 0.0027453100000000 ] - [ 0.0099332600000000, 0.0011712100000000, 0.0028869500000000 ] - [ 0.0011856900000000, -0.0011598800000000, 0.0026345600000000 ] - [ 0.0014036800000000, -0.0009329900000000, 0.0033598400000000 ] - [ 0.0023575400000000, 0.0013906900000000, 0.0025324400000000 ] - [ 0.0045926900000000, 0.0006047300000000, 0.0032738000000000 ] - [ 0.0020050300000000, 0.0007418900000000, 0.0026858000000000 ] - [ 0.0020836000000000, 0.0013514800000000, 0.0026830700000000 ] - [ -0.0016325000000000, 0.0003477400000000, -0.0007680000000000 ] - [ -0.0035866300000000, 0.0050490700000000, 0.0027815600000000 ] - [ -0.0013485600000000, 0.0001087300000000, -0.0015004700000000 ] - [ -0.0024147900000000, 0.0063852200000000, -0.0071279700000000 ] - [ -0.0030397300000000, -0.0076667500000000, 0.0001474100000000 ] - [ -0.0044344200000000, 0.0039838200000000, -0.0011510000000000 ] - [ -0.0011568400000000, -0.0013940100000000, -0.0011436900000000 ] - [ -0.0012098400000000, -0.0008328200000000, -0.0010809000000000 ] - [ 0.0114109200000000, -0.0033776000000000, 0.0024493600000000 ] - [ 0.0015849700000000, 0.0003319000000000, 0.0010584100000000 ] - [ 0.0012548500000000, 0.0011358100000000, 0.0014104300000000 ] - [ 0.0009991200000000, 0.0005953700000000, 0.0014962700000000 ] - [ 0.0068598900000000, -0.0001491900000000, 0.0024031400000000 ] - [ 0.0012121300000000, -0.0014797400000000, 0.0009906000000000 ] - [ 0.0030470400000000, -0.0007317800000000, 0.0019605900000000 ] - [ 0.0010786000000000, -0.0011339400000000, 0.0010766800000000 ] - [ -0.0008011700000000, 0.0034913000000000, -0.0000440500000000 ] - [ -0.0030036100000000, -0.0058660000000000, -0.0007806300000000 ] - [ -0.0001005100000000, 0.0015190500000000, 0.0001998200000000 ] - [ -0.0001639100000000, 0.0009844300000000, 0.0000724600000000 ] - [ -0.0061792100000000, -0.0035797600000000, 0.0117088900000000 ] - [ 0.0006295100000000, -0.0005655200000000, 0.0021397300000000 ] - [ 0.0008714100000000, -0.0008441700000000, -0.0007016200000000 ] - [ 0.0007266800000000, -0.0006079300000000, 0.0017016700000000 ] - [ -0.0029254000000000, 0.0109149800000000, 0.0046435800000000 ] - [ -0.0000753300000000, -0.0004576300000000, 0.0004840800000000 ] - [ -0.0003304700000000, 0.0004479600000000, -0.0001635400000000 ] - [ -0.0007588600000000, 0.0002166400000000, -0.0000642900000000 ] - [ 0.0000490400000000, -0.0003767700000000, -0.0003912000000000 ] - [ -0.0001559500000000, -0.0024232500000000, -0.0004769800000000 ] - [ -0.0006571700000000, -0.0002606200000000, 0.0007279400000000 ] - [ -0.0010471700000000, -0.0031054100000000, 0.0008103400000000 ] - [ 0.0046370600000000, 0.0001439900000000, 0.0008433200000000 ] - [ 0.0055410200000000, 0.0001998000000000, 0.0018158900000000 ] - [ 0.0019501000000000, -0.0001919400000000, 0.0002956200000000 ] - [ 0.0019768500000000, -0.0002517300000000, 0.0001666500000000 ] - [ 0.1298575900000000, -0.0194849000000000, 0.0276683200000000 ] - [ 0.0016814600000000, 0.0002992600000000, 0.0017336500000000 ] - [ 0.0018631200000000, -0.0002035800000000, 0.0015276300000000 ] - [ 0.0013337000000000, -0.0000603100000000, 0.0013953700000000 ] - [ 0.0007399100000000, 0.0069253300000000, -0.0021029200000000 ] - [ 0.0011126800000000, -0.0000977600000000, 0.0015106800000000 ] - [ 0.0004553200000000, 0.0011618700000000, 0.0026300000000000 ] - [ 0.0006287300000000, 0.0007417300000000, 0.0020343700000000 ] - [ 0.0018556600000000, -0.0033514700000000, -0.0143917300000000 ] - [ -0.0006006100000000, -0.0000575800000000, -0.0000972000000000 ] - [ -0.0000928500000000, -0.0002568700000000, 0.0023678300000000 ] - [ -0.0008294600000000, -0.0000220100000000, 0.0001684700000000 ] - [ 0.0022078300000000, 0.0000045000000000, 0.0004315400000000 ] - [ 0.0045178400000000, 0.0006713700000000, 0.0012685300000000 ] - [ 0.0019893500000000, 0.0003908400000000, 0.0004351200000000 ] - [ 0.0048813300000000, -0.0008297500000000, 0.0008771300000000 ] - [ 0.0036187500000000, -0.0018694600000000, 0.0028807100000000 ] - [ 0.0019586000000000, 0.0009627100000000, 0.0018238000000000 ] - [ 0.0037100000000000, 0.0003933900000000, 0.0011696700000000 ] - [ 0.0019832700000000, 0.0005776000000000, 0.0012750100000000 ] - [ -0.0026600300000000, -0.0015226700000000, -0.0018860700000000 ] - [ -0.0023745500000000, 0.0088551800000000, -0.0079767400000000 ] - [ -0.0014315800000000, -0.0002837300000000, -0.0011640300000000 ] - [ -0.0014450200000000, -0.0001255400000000, -0.0009897200000000 ] - [ -0.0043649900000000, -0.0013674500000000, -0.0084566300000000 ] - [ -0.0016592500000000, 0.0003648900000000, -0.0002157600000000 ] - [ -0.0036403000000000, -0.0005613700000000, 0.0014159600000000 ] - [ -0.0018107600000000, -0.0001286400000000, -0.0002265400000000 ] - [ 0.0007873200000000, 0.0002930900000000, 0.0001068900000000 ] - [ -0.0034827400000000, -0.0001163900000000, -0.0006972800000000 ] - [ 0.0009211100000000, 0.0001650600000000, -0.0001549400000000 ] - [ 0.0005633100000000, 0.0002361500000000, -0.0002714000000000 ] - [ -0.0025684300000000, -0.0005892500000000, -0.0021646500000000 ] - [ -0.0018129700000000, -0.0007677900000000, -0.0014797300000000 ] - [ -0.0007608600000000, -0.0007329200000000, -0.0020169700000000 ] - [ -0.0007425500000000, -0.0007740300000000, -0.0022287400000000 ] - [ -0.0012523900000000, 0.0000037100000000, -0.0015328700000000 ] - [ -0.0107035000000000, 0.0093932500000000, 0.0049052700000000 ] - [ -0.0012018700000000, 0.0002073700000000, -0.0013870000000000 ] - [ -0.0010117900000000, 0.0000015900000000, -0.0016697400000000 ] - [ -0.0176283900000000, -0.0118231200000000, 0.0044787800000000 ] - [ -0.0016566500000000, 0.0006780800000000, -0.0001087500000000 ] - [ -0.0016085000000000, 0.0001089000000000, -0.0003594000000000 ] - [ -0.0015831300000000, 0.0004235900000000, -0.0003598900000000 ] - [ -0.0026432400000000, 0.0006282900000000, -0.0001919600000000 ] - [ -0.0003860300000000, 0.0017359800000000, -0.0002515500000000 ] - [ -0.0010367600000000, 0.0011529500000000, -0.0008912200000000 ] - [ -0.0001062600000000, 0.0013940200000000, -0.0002249400000000 ] - [ -0.0019402000000000, -0.0012708800000000, 0.0010466800000000 ] - [ -0.0000979300000000, 0.0003388700000000, 0.0001784500000000 ] - [ 0.0008042400000000, -0.0002773200000000, -0.0002101000000000 ] - [ 0.0007271200000000, 0.0000060800000000, -0.0009800600000000 ] - [ -0.0008156400000000, 0.0007834100000000, -0.0019175100000000 ] - [ -0.0020174900000000, 0.0002040300000000, -0.0022938100000000 ] - [ -0.0007879800000000, 0.0009253400000000, -0.0019060900000000 ] - [ -0.0017957100000000, 0.0012369100000000, -0.0028937500000000 ] - [ -0.0177205100000000, 0.0032534000000000, -0.0023275700000000 ] - [ -0.0004295600000000, -0.0008688900000000, -0.0002376500000000 ] - [ -0.0003632100000000, -0.0014450200000000, -0.0005041600000000 ] - [ -0.0001211900000000, -0.0011384600000000, -0.0003024500000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010086400000000, 0.0012118800000000, -0.0000335600000000 ] - [ -0.0011510300000000, -0.0023925800000000, -0.0035525400000000 ] - [ 0.0028187800000000, 0.0022765300000000, -0.0057923800000000 ] - [ -0.0017046800000000, -0.0030115300000000, -0.0016658400000000 ] - [ -0.0013699000000000, 0.0171851000000000, -0.0028958200000000 ] - [ -0.0011624900000000, -0.0027637300000000, -0.0023326900000000 ] - [ -0.0009344300000000, 0.0024278400000000, -0.0026203500000000 ] - [ -0.0009138800000000, -0.0001007100000000, -0.0025349500000000 ] - [ -0.0001825100000000, 0.0293652100000000, 0.0074871200000000 ] - [ 0.0005510000000000, -0.0071298100000000, -0.0009831000000000 ] - [ 0.0016062400000000, 0.0007316700000000, -0.0008365400000000 ] - [ 0.0016720200000000, -0.0014370600000000, -0.0014947300000000 ] - [ -0.0017856700000000, -0.0067924600000000, 0.0021967300000000 ] - [ -0.0161815000000000, 0.0301394000000000, -0.0059696200000000 ] - [ -0.0016372300000000, -0.0014232000000000, 0.0011164200000000 ] - [ -0.0017006200000000, 0.0007462700000000, 0.0007861200000000 ] - [ 0.0005452700000000, 0.0192384000000000, -0.0037765900000000 ] - [ 0.0018010900000000, -0.0026458900000000, -0.0009139700000000 ] - [ 0.0013137000000000, 0.0048980700000000, -0.0015276300000000 ] - [ 0.0017334800000000, -0.0021003800000000, -0.0009544100000000 ] - [ -0.0023754000000000, -0.0016353900000000, 0.0048812400000000 ] - [ -0.0008514500000000, -0.0030230100000000, -0.0037524400000000 ] - [ -0.0013133900000000, -0.0010052700000000, -0.0031114100000000 ] - [ -0.0025260300000000, -0.0000610800000000, 0.0051653700000000 ] - [ 0.0012622100000000, -0.0037076300000000, 0.0031126600000000 ] - [ 0.0041659200000000, 0.0008697300000000, 0.0013067700000000 ] - [ 0.0007938600000000, -0.0020514200000000, 0.0019625100000000 ] - [ 0.0011197100000000, -0.0001218500000000, 0.0031548500000000 ] - [ -0.0021269000000000, 0.0007324900000000, 0.0005812100000000 ] - [ 0.0043677400000000, 0.0002338900000000, 0.0046285300000000 ] - [ 0.0006895200000000, 0.0008573600000000, 0.0037417400000000 ] - [ 0.0013399400000000, 0.0008881500000000, 0.0015463700000000 ] - [ -0.0007466200000000, -0.0004283500000000, -0.0006363800000000 ] - [ -0.0013642800000000, 0.0015154600000000, -0.0024596500000000 ] - [ -0.0003706400000000, -0.0017332700000000, -0.0013770000000000 ] - [ -0.0042945400000000, 0.0033178700000000, 0.0005102000000000 ] - [ 0.0023524200000000, -0.0067561800000000, 0.0034361200000000 ] - [ -0.0068966400000000, -0.0057902000000000, -0.0019919400000000 ] - [ -0.0005929000000000, -0.0011587200000000, -0.0013849700000000 ] - [ -0.0012161200000000, -0.0010632100000000, -0.0008151100000000 ] - [ -0.0040217600000000, 0.0024704100000000, 0.0004573200000000 ] - [ 0.0016194900000000, -0.0014100600000000, 0.0006473200000000 ] - [ 0.0005859800000000, 0.0022020400000000, 0.0003212700000000 ] - [ 0.0010962300000000, -0.0003164600000000, 0.0016970100000000 ] - [ 0.0001389700000000, 0.0041678400000000, 0.0036729600000000 ] - [ 0.0010217900000000, -0.0039769100000000, 0.0005600800000000 ] - [ 0.0009563000000000, 0.0011499000000000, 0.0005607700000000 ] - [ 0.0009218700000000, -0.0025082800000000, 0.0011557800000000 ] - [ -0.0012511300000000, 0.0043705200000000, -0.0004695600000000 ] - [ 0.0033746300000000, 0.0004180800000000, 0.0013361500000000 ] - [ -0.0000264500000000, 0.0017939000000000, 0.0003299500000000 ] - [ -0.0000462100000000, 0.0009082000000000, 0.0001228700000000 ] - [ 0.0016597300000000, -0.0047980900000000, 0.0018321000000000 ] - [ 0.0006296600000000, 0.0008453500000000, 0.0017101700000000 ] - [ 0.0006853800000000, -0.0018291200000000, 0.0025698200000000 ] - [ 0.0005802700000000, 0.0000187700000000, 0.0018002600000000 ] - [ -0.0119307000000000, 0.0074477700000000, 0.0028360100000000 ] - [ 0.0004424200000000, 0.0023238600000000, -0.0008304700000000 ] - [ -0.0010421800000000, -0.0001118300000000, -0.0000484400000000 ] - [ -0.0009354000000000, 0.0005378300000000, 0.0001497200000000 ] - [ 0.0002001600000000, -0.0008159500000000, -0.0002681800000000 ] - [ -0.0000085200000000, -0.0013911300000000, 0.0005961300000000 ] - [ 0.0000805100000000, -0.0000108600000000, 0.0011119200000000 ] - [ -0.0001294200000000, -0.0014661400000000, -0.0001934400000000 ] - [ 0.0014436200000000, 0.0043962600000000, -0.0016319400000000 ] - [ 0.0033815100000000, 0.0092414800000000, 0.0023860700000000 ] - [ 0.0013272100000000, -0.0000204500000000, 0.0007570300000000 ] - [ 0.0019746600000000, -0.0002549400000000, -0.0002517600000000 ] - [ 0.0217429500000000, -0.1157899400000000, -0.0056762900000000 ] - [ 0.0007494600000000, 0.0031962300000000, 0.0014469800000000 ] - [ 0.0012573400000000, -0.0010738600000000, 0.0014683300000000 ] - [ 0.0011128000000000, 0.0006734900000000, 0.0014070100000000 ] - [ -0.0019500000000000, 0.0005601800000000, -0.0016449600000000 ] - [ 0.0013736900000000, 0.0028501500000000, 0.0029368200000000 ] - [ 0.0002291800000000, 0.0005600000000000, 0.0026911700000000 ] - [ 0.0006976800000000, 0.0012440200000000, 0.0015686000000000 ] - [ 0.0011926200000000, -0.0047119200000000, 0.0033519000000000 ] - [ -0.0010008700000000, 0.0009365800000000, 0.0000568100000000 ] - [ -0.0006528400000000, -0.0023292300000000, -0.0004244100000000 ] - [ -0.0011204200000000, 0.0010522000000000, 0.0003598300000000 ] - [ 0.0013238600000000, 0.0011259900000000, -0.0002469500000000 ] - [ 0.0017696900000000, -0.0008395800000000, 0.0012118100000000 ] - [ 0.0009500400000000, 0.0018268400000000, 0.0008008800000000 ] - [ 0.0040549900000000, -0.0001843300000000, -0.0041268400000000 ] - [ 0.0015118900000000, -0.0018451700000000, 0.0000588100000000 ] - [ 0.0015886600000000, 0.0018120600000000, 0.0021847600000000 ] - [ -0.0011572900000000, -0.0018612500000000, 0.0076279900000000 ] - [ 0.0020803200000000, 0.0018222000000000, 0.0003608500000000 ] - [ 0.0073790400000000, 0.0118983400000000, 0.0055926000000000 ] - [ -0.0021346100000000, 0.0120158000000000, -0.0101242400000000 ] - [ -0.0011289400000000, -0.0000762300000000, -0.0022466000000000 ] - [ -0.0013962700000000, -0.0000819600000000, -0.0002738600000000 ] - [ -0.0001636800000000, -0.0075518400000000, 0.0002357800000000 ] - [ -0.0021317800000000, 0.0022073300000000, -0.0003394700000000 ] - [ -0.0014625400000000, -0.0012178400000000, 0.0000270300000000 ] - [ -0.0018582100000000, 0.0005482700000000, -0.0002496200000000 ] - [ 0.0016675600000000, 0.0019774500000000, 0.0002280800000000 ] - [ -0.0050129100000000, -0.0035214300000000, -0.0027349200000000 ] - [ 0.0009937700000000, 0.0007255000000000, 0.0000052000000000 ] - [ 0.0010257700000000, -0.0003821600000000, -0.0000064300000000 ] - [ 0.0000136800000000, -0.0001682200000000, -0.0016135500000000 ] - [ -0.0010307200000000, 0.0002673000000000, -0.0016112300000000 ] - [ -0.0005386500000000, -0.0009415900000000, -0.0017679300000000 ] - [ -0.0006990400000000, -0.0006549400000000, -0.0020532800000000 ] - [ -0.0010095100000000, 0.0019606800000000, -0.0021322200000000 ] - [ -0.0108946000000000, 0.0025126300000000, 0.0068909100000000 ] - [ -0.0012878300000000, 0.0014525700000000, -0.0008158600000000 ] - [ -0.0010315800000000, -0.0011764900000000, -0.0017689900000000 ] - [ 0.0121152900000000, 0.0036228300000000, -0.0047105100000000 ] - [ -0.0021341600000000, 0.0019465300000000, 0.0003199600000000 ] - [ -0.0014889100000000, -0.0005996300000000, 0.0002282100000000 ] - [ -0.0015378500000000, 0.0010986100000000, -0.0005145800000000 ] - [ -0.0007630100000000, -0.0012849200000000, -0.0003237800000000 ] - [ 0.0000679800000000, 0.0030974600000000, -0.0002974700000000 ] - [ -0.0003690500000000, 0.0001008300000000, -0.0005514400000000 ] - [ 0.0002487900000000, 0.0022612900000000, -0.0000173600000000 ] - [ 0.0025163500000000, 0.0015152200000000, -0.0016955000000000 ] - [ 0.0002776900000000, 0.0007576500000000, 0.0005351400000000 ] - [ 0.0015018600000000, -0.0006664600000000, 0.0013065400000000 ] - [ 0.0005215800000000, 0.0001691000000000, -0.0015685700000000 ] - [ -0.0005457400000000, 0.0018120200000000, -0.0024728100000000 ] - [ -0.0011480900000000, -0.0003793400000000, -0.0007800200000000 ] - [ -0.0005441600000000, 0.0021321800000000, -0.0014943200000000 ] - [ -0.0005215200000000, -0.0002962400000000, -0.0031364400000000 ] - [ 0.0007058400000000, -0.0038570500000000, 0.0001516400000000 ] - [ -0.0004098700000000, 0.0007489900000000, -0.0003057000000000 ] - [ 0.0002111200000000, -0.0023577200000000, -0.0001744000000000 ] - [ -0.0002109100000000, -0.0003235500000000, -0.0002703500000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009579800000000, -0.0033579100000000, -0.0049134000000000 ] - [ -0.0008268900000000, 0.0002673900000000, -0.0014135800000000 ] - [ -0.0048192300000000, -0.0044265800000000, 0.0008291800000000 ] - [ -0.0002788600000000, 0.0008872200000000, -0.0032988200000000 ] - [ -0.0005734200000000, -0.0150640600000000, -0.0021101600000000 ] - [ -0.0008187600000000, 0.0048767300000000, -0.0026304800000000 ] - [ -0.0010450800000000, -0.0002917200000000, -0.0023369100000000 ] - [ -0.0010580600000000, 0.0022128200000000, -0.0024227100000000 ] - [ 0.0031605100000000, -0.0316768100000000, -0.0111058600000000 ] - [ 0.0028384600000000, 0.0064029100000000, -0.0012356800000000 ] - [ 0.0017792400000000, -0.0014450000000000, -0.0013705900000000 ] - [ 0.0017229600000000, 0.0007377300000000, -0.0007264000000000 ] - [ -0.0016014900000000, 0.0061108300000000, 0.0000130000000000 ] - [ 0.0116572000000000, -0.0294709300000000, 0.0071298700000000 ] - [ -0.0017517400000000, 0.0007090500000000, 0.0011123300000000 ] - [ -0.0016879200000000, -0.0014420600000000, 0.0014619300000000 ] - [ 0.0027938300000000, -0.0185299000000000, 0.0015946400000000 ] - [ 0.0015870400000000, 0.0033547700000000, -0.0013308300000000 ] - [ 0.0020893800000000, -0.0042087000000000, -0.0006910700000000 ] - [ 0.0016515000000000, 0.0028050000000000, -0.0012615200000000 ] - [ -0.0010073800000000, 0.0023173700000000, -0.0026734800000000 ] - [ -0.0025325300000000, 0.0037431900000000, 0.0059501300000000 ] - [ -0.0020816300000000, 0.0017202600000000, 0.0053812600000000 ] - [ -0.0008777900000000, 0.0007758700000000, -0.0029193800000000 ] - [ 0.0007249300000000, 0.0015711500000000, 0.0018502600000000 ] - [ -0.0021756200000000, -0.0029638400000000, 0.0036317200000000 ] - [ 0.0011832800000000, -0.0000756900000000, 0.0030143200000000 ] - [ 0.0008491100000000, -0.0019926100000000, 0.0018242300000000 ] - [ 0.0041377200000000, 0.0013833500000000, 0.0043812700000000 ] - [ -0.0023562100000000, 0.0018860400000000, 0.0003457400000000 ] - [ 0.0012925500000000, 0.0012539000000000, 0.0012253100000000 ] - [ 0.0006292700000000, 0.0012440900000000, 0.0034204200000000 ] - [ -0.0010448900000000, 0.0023438200000000, -0.0013082800000000 ] - [ -0.0004185100000000, 0.0004594500000000, 0.0005651300000000 ] - [ -0.0014305600000000, 0.0036635100000000, -0.0005605900000000 ] - [ 0.0024916100000000, -0.0013421500000000, -0.0024784400000000 ] - [ -0.0041802900000000, 0.0048209100000000, -0.0054178700000000 ] - [ 0.0050493400000000, 0.0038628400000000, 0.0000407900000000 ] - [ -0.0011989700000000, -0.0007717800000000, -0.0005439700000000 ] - [ -0.0005711600000000, -0.0008519200000000, -0.0011168700000000 ] - [ 0.0057953600000000, -0.0005727100000000, 0.0014723600000000 ] - [ 0.0001767900000000, 0.0033513300000000, 0.0012866700000000 ] - [ 0.0012059500000000, -0.0002830200000000, 0.0016275500000000 ] - [ 0.0006967500000000, 0.0022557900000000, 0.0002536600000000 ] - [ 0.0016402900000000, -0.0060722800000000, -0.0017125700000000 ] - [ 0.0007773000000000, 0.0020475100000000, 0.0013821500000000 ] - [ 0.0008175600000000, -0.0030756200000000, 0.0013807800000000 ] - [ 0.0008737600000000, 0.0005763300000000, 0.0007829000000000 ] - [ 0.0012564400000000, -0.0017831700000000, 0.0008953900000000 ] - [ -0.0033503300000000, 0.0021119700000000, -0.0008927500000000 ] - [ 0.0000193000000000, 0.0007973400000000, 0.0000823600000000 ] - [ 0.0000524600000000, 0.0016745700000000, 0.0002797400000000 ] - [ -0.0004640600000000, 0.0031582400000000, 0.0019866400000000 ] - [ 0.0006121400000000, -0.0024498300000000, 0.0020291900000000 ] - [ 0.0005660500000000, 0.0001870900000000, 0.0011523300000000 ] - [ 0.0006656200000000, -0.0016235200000000, 0.0019330700000000 ] - [ 0.0100675100000000, -0.0071380100000000, -0.0027973000000000 ] - [ -0.0024500800000000, -0.0019382900000000, 0.0008709100000000 ] - [ -0.0009622800000000, 0.0004768400000000, 0.0000970100000000 ] - [ -0.0010801900000000, -0.0001514400000000, -0.0001197000000000 ] - [ -0.0002008000000000, -0.0017649400000000, 0.0006741600000000 ] - [ 0.0000230900000000, -0.0011896000000000, -0.0001809300000000 ] - [ -0.0000895100000000, -0.0025896300000000, -0.0006960600000000 ] - [ 0.0001281200000000, -0.0011260800000000, 0.0006149300000000 ] - [ 0.0018182600000000, -0.0048847000000000, 0.0020913900000000 ] - [ -0.0001289400000000, -0.0096139100000000, -0.0019269600000000 ] - [ 0.0019389500000000, -0.0004462000000000, -0.0003398300000000 ] - [ 0.0012683700000000, -0.0002120900000000, 0.0006618000000000 ] - [ -0.0175622600000000, 0.1157366500000000, 0.0109559000000000 ] - [ 0.0016553000000000, -0.0035042300000000, 0.0012751400000000 ] - [ 0.0011501500000000, 0.0007660700000000, 0.0012305900000000 ] - [ 0.0012895000000000, -0.0009758900000000, 0.0013049500000000 ] - [ 0.0032077200000000, 0.0010982100000000, 0.0054156400000000 ] - [ -0.0001206200000000, -0.0012250300000000, 0.0008285500000000 ] - [ 0.0010172500000000, 0.0010507300000000, 0.0010390400000000 ] - [ 0.0005449100000000, 0.0003800900000000, 0.0021734600000000 ] - [ -0.0032431100000000, 0.0042635800000000, -0.0034413100000000 ] - [ -0.0010081000000000, -0.0012899000000000, 0.0000232100000000 ] - [ -0.0013569500000000, 0.0019506000000000, 0.0004807900000000 ] - [ -0.0008869100000000, -0.0014086500000000, -0.0002940500000000 ] - [ 0.0019513700000000, -0.0006609500000000, 0.0006816600000000 ] - [ 0.0014295700000000, 0.0012880600000000, -0.0008173700000000 ] - [ 0.0023285300000000, -0.0013698600000000, -0.0003753400000000 ] - [ -0.0007910800000000, 0.0006392800000000, 0.0045426800000000 ] - [ 0.0008843900000000, 0.0022022100000000, 0.0026378200000000 ] - [ 0.0008120400000000, -0.0015190100000000, 0.0005360100000000 ] - [ 0.0035968800000000, 0.0021863000000000, -0.0049668700000000 ] - [ 0.0003262900000000, -0.0015116100000000, 0.0023564000000000 ] - [ -0.0098528300000000, -0.0123426700000000, -0.0083600800000000 ] - [ -0.0002598600000000, -0.0122222900000000, 0.0073619300000000 ] - [ -0.0012619800000000, -0.0002277500000000, -0.0004768500000000 ] - [ -0.0009966200000000, -0.0002265800000000, -0.0024476600000000 ] - [ -0.0030725100000000, 0.0070983700000000, -0.0006035600000000 ] - [ -0.0011228100000000, -0.0026743500000000, -0.0000902400000000 ] - [ -0.0017678700000000, 0.0007561000000000, -0.0004898000000000 ] - [ -0.0014135400000000, -0.0010164000000000, -0.0001802300000000 ] - [ 0.0003389300000000, -0.0016161300000000, -0.0002771000000000 ] - [ 0.0069617600000000, 0.0038395100000000, 0.0026660300000000 ] - [ 0.0010260000000000, -0.0003677900000000, -0.0000910200000000 ] - [ 0.0009891700000000, 0.0007293700000000, -0.0000851600000000 ] - [ -0.0012619600000000, -0.0014142400000000, -0.0020962200000000 ] - [ -0.0002186500000000, -0.0018704500000000, -0.0021089200000000 ] - [ -0.0007148300000000, -0.0006868400000000, -0.0020077000000000 ] - [ -0.0005444600000000, -0.0009556800000000, -0.0017001000000000 ] - [ -0.0013837600000000, -0.0016444200000000, -0.0005632600000000 ] - [ 0.0084332000000000, -0.0022486500000000, -0.0095229400000000 ] - [ -0.0011029800000000, -0.0011416500000000, -0.0019115000000000 ] - [ -0.0013650900000000, 0.0014769100000000, -0.0009584300000000 ] - [ -0.0154839900000000, -0.0031078500000000, 0.0043227800000000 ] - [ -0.0011384400000000, -0.0014790900000000, -0.0007364700000000 ] - [ -0.0017298000000000, 0.0010716000000000, -0.0006549000000000 ] - [ -0.0017304700000000, -0.0006301300000000, 0.0000813600000000 ] - [ 0.0007668300000000, 0.0039056200000000, -0.0000921700000000 ] - [ -0.0000744900000000, -0.0005010900000000, -0.0001133100000000 ] - [ 0.0003644900000000, 0.0024991300000000, 0.0001327500000000 ] - [ -0.0002459000000000, 0.0003380300000000, -0.0004036400000000 ] - [ -0.0005074800000000, -0.0018459900000000, 0.0016255900000000 ] - [ 0.0017324700000000, -0.0011266100000000, -0.0005937100000000 ] - [ 0.0005164500000000, 0.0002742100000000, -0.0013571500000000 ] - [ 0.0014921700000000, -0.0005323900000000, 0.0015031900000000 ] - [ -0.0006980700000000, -0.0001972700000000, -0.0012598600000000 ] - [ -0.0001132700000000, 0.0019808400000000, -0.0029656200000000 ] - [ -0.0007031000000000, -0.0005175700000000, -0.0022545200000000 ] - [ -0.0007150600000000, 0.0018943000000000, -0.0005906200000000 ] - [ -0.0007841600000000, 0.0012685800000000, -0.0005602300000000 ] - [ 0.0004161100000000, -0.0033645600000000, -0.0001055600000000 ] - [ -0.0002325700000000, -0.0002047100000000, -0.0002595300000000 ] - [ 0.0002172700000000, -0.0022865800000000, -0.0001559700000000 ]- atom: 69 displacement: [ -0.0019782548681478, 0.0000000000000000, 0.0098023725534510 ] forces: - [ -0.0034549700000000, 0.0029030800000000, -0.0054082600000000 ] - [ -0.0010084700000000, -0.0024613500000000, -0.0024698900000000 ] - [ 0.0013143200000000, -0.0032350700000000, -0.0049885800000000 ] - [ -0.0009399200000000, -0.0002357000000000, -0.0024511100000000 ] - [ -0.0037110100000000, 0.0018530000000000, 0.0155925800000000 ] - [ -0.0008980500000000, 0.0008048300000000, -0.0012784200000000 ] - [ -0.0004663000000000, 0.0012427800000000, -0.0067603500000000 ] - [ -0.0009473100000000, 0.0010205600000000, -0.0036769200000000 ] - [ -0.0013193800000000, 0.0087373000000000, 0.0176529100000000 ] - [ 0.0024677300000000, 0.0010307300000000, 0.0011368500000000 ] - [ 0.0021440500000000, 0.0010223900000000, -0.0060109800000000 ] - [ 0.0017878100000000, -0.0011582500000000, -0.0025668600000000 ] - [ -0.0014868600000000, -0.0024661000000000, 0.0040234900000000 ] - [ 0.0023314700000000, -0.0085219700000000, 0.0215848800000000 ] - [ -0.0015852200000000, 0.0002599100000000, -0.0004309100000000 ] - [ -0.0009501300000000, -0.0015261500000000, -0.0033142800000000 ] - [ -0.0028519200000000, 0.0030227200000000, 0.0165120500000000 ] - [ 0.0016033700000000, 0.0001666100000000, -0.0000543100000000 ] - [ 0.0025776000000000, 0.0008270200000000, -0.0074424400000000 ] - [ 0.0018313100000000, 0.0002955300000000, -0.0022076300000000 ] - [ -0.0008798600000000, 0.0049952100000000, 0.0024366500000000 ] - [ -0.0014143900000000, -0.0041788500000000, 0.0013765900000000 ] - [ -0.0013886300000000, -0.0015068300000000, -0.0027019000000000 ] - [ -0.0018613500000000, 0.0018473000000000, -0.0018790900000000 ] - [ 0.0011606200000000, -0.0003267200000000, 0.0039864700000000 ] - [ 0.0030436800000000, -0.0019866900000000, 0.0071488700000000 ] - [ 0.0008432200000000, -0.0011931500000000, 0.0010129700000000 ] - [ 0.0010236900000000, -0.0009007200000000, -0.0009000800000000 ] - [ -0.0012446700000000, -0.0003208300000000, 0.0030728800000000 ] - [ -0.0000923800000000, 0.0025424000000000, 0.0027675200000000 ] - [ 0.0011878600000000, 0.0024251900000000, 0.0013987200000000 ] - [ 0.0004592100000000, -0.0002809200000000, 0.0015359800000000 ] - [ -0.0009233100000000, 0.0020054800000000, -0.0009404900000000 ] - [ -0.0018065000000000, -0.0043295700000000, -0.0071653700000000 ] - [ -0.0006217800000000, -0.0001609100000000, -0.0010306900000000 ] - [ 0.0023243100000000, 0.0037605300000000, -0.0043183900000000 ] - [ -0.0008692400000000, -0.0005534500000000, 0.0054441200000000 ] - [ -0.0007345900000000, -0.0017438000000000, 0.0009966100000000 ] - [ -0.0008937000000000, -0.0006099300000000, -0.0031930700000000 ] - [ -0.0008348800000000, -0.0010378900000000, -0.0024816800000000 ] - [ 0.0047652900000000, 0.0022241000000000, 0.0038536400000000 ] - [ 0.0010498700000000, 0.0004373100000000, 0.0025610000000000 ] - [ 0.0006072700000000, 0.0011484400000000, -0.0012410300000000 ] - [ 0.0007014500000000, 0.0010557700000000, -0.0004646300000000 ] - [ -0.0044207700000000, 0.0005573000000000, 0.0011512700000000 ] - [ 0.0006949500000000, -0.0010544700000000, 0.0011210200000000 ] - [ 0.0037684600000000, -0.0022258300000000, 0.0006106800000000 ] - [ 0.0007957100000000, -0.0011855000000000, 0.0006732900000000 ] - [ -0.0003965000000000, 0.0015188400000000, -0.0008222600000000 ] - [ -0.0002707100000000, 0.0018771500000000, -0.0017880900000000 ] - [ 0.0001250900000000, 0.0012132400000000, 0.0007522800000000 ] - [ 0.0000930800000000, 0.0014331100000000, 0.0012391400000000 ] - [ -0.0058987400000000, -0.0012159000000000, 0.0026936400000000 ] - [ 0.0006355500000000, -0.0005299400000000, 0.0012669000000000 ] - [ 0.0006182500000000, -0.0016648100000000, 0.0069055100000000 ] - [ 0.0005723300000000, -0.0009403500000000, 0.0024300200000000 ] - [ -0.0061436400000000, 0.0058268700000000, -0.0036539500000000 ] - [ -0.0010820800000000, 0.0004085100000000, -0.0009283300000000 ] - [ -0.0008973200000000, -0.0005796200000000, 0.0024095000000000 ] - [ -0.0010926300000000, 0.0002739200000000, 0.0009075600000000 ] - [ 0.0001339200000000, -0.0026335700000000, 0.0003493500000000 ] - [ 0.0013632600000000, 0.0013809800000000, 0.0010622300000000 ] - [ -0.0000239700000000, -0.0002686500000000, 0.0003995500000000 ] - [ -0.0006856400000000, -0.0028944600000000, 0.0002860200000000 ] - [ 0.0018289300000000, 0.0000863700000000, -0.0034968300000000 ] - [ 0.0011456800000000, 0.0001430500000000, -0.0032429300000000 ] - [ 0.0013410600000000, -0.0005047800000000, 0.0016024400000000 ] - [ 0.0015078500000000, -0.0000347200000000, 0.0015994700000000 ] - [ 0.0069583100000000, -0.0119745000000000, -0.0976392800000000 ] - [ 0.0009852800000000, 0.0000237700000000, 0.0002000700000000 ] - [ 0.0010042100000000, -0.0000436100000000, 0.0042724200000000 ] - [ 0.0011437900000000, -0.0000847100000000, 0.0022068100000000 ] - [ 0.0026524200000000, -0.0019641600000000, -0.0006558400000000 ] - [ 0.0005406100000000, 0.0010059600000000, 0.0009395600000000 ] - [ 0.0003017000000000, 0.0011252700000000, 0.0039739300000000 ] - [ 0.0006108900000000, 0.0008223000000000, 0.0027458900000000 ] - [ 0.0105217100000000, 0.0037481500000000, 0.0162482400000000 ] - [ -0.0008905200000000, -0.0002478100000000, -0.0005588200000000 ] - [ -0.0018945300000000, 0.0003529700000000, 0.0024126700000000 ] - [ -0.0012064400000000, 0.0000905300000000, 0.0006271800000000 ] - [ 0.0017450000000000, -0.0006266800000000, 0.0003747000000000 ] - [ 0.0016446300000000, 0.0042161000000000, 0.0032875700000000 ] - [ 0.0012859300000000, 0.0010455300000000, 0.0003436300000000 ] - [ 0.0006058800000000, -0.0024424300000000, 0.0041876900000000 ] - [ 0.0016751300000000, -0.0065407200000000, 0.0055630400000000 ] - [ 0.0014245700000000, 0.0013013600000000, 0.0015713800000000 ] - [ -0.0000425300000000, 0.0014677000000000, 0.0052023200000000 ] - [ 0.0008834900000000, -0.0005841200000000, 0.0014735000000000 ] - [ 0.0048052400000000, 0.0082274900000000, 0.0032772500000000 ] - [ -0.0011323900000000, -0.0053155100000000, 0.0021077400000000 ] - [ -0.0016580900000000, -0.0012555600000000, -0.0005124300000000 ] - [ -0.0014888400000000, 0.0007359600000000, -0.0004818000000000 ] - [ 0.0067455100000000, -0.0008730300000000, 0.0081584300000000 ] - [ -0.0016238900000000, -0.0002799700000000, -0.0003517400000000 ] - [ -0.0071860400000000, -0.0008864400000000, 0.0056527200000000 ] - [ -0.0016289500000000, -0.0001139600000000, -0.0000331400000000 ] - [ 0.0015251700000000, 0.0005113200000000, -0.0009348800000000 ] - [ 0.0042518700000000, -0.0003509900000000, -0.0021593700000000 ] - [ 0.0009272300000000, 0.0000899600000000, 0.0006546900000000 ] - [ 0.0001282700000000, 0.0015726400000000, 0.0017788100000000 ] - [ -0.0012084000000000, -0.0018641100000000, -0.0042963100000000 ] - [ -0.0004105300000000, -0.0008718800000000, -0.0035990700000000 ] - [ -0.0005943300000000, -0.0007216300000000, -0.0003865700000000 ] - [ -0.0006424900000000, -0.0004269900000000, -0.0004341500000000 ] - [ -0.0009654400000000, -0.0006616000000000, -0.0027798100000000 ] - [ -0.0089028100000000, 0.0101369300000000, -0.0068854100000000 ] - [ -0.0012319300000000, 0.0007015600000000, -0.0001263200000000 ] - [ -0.0009991100000000, -0.0002808500000000, 0.0012458400000000 ] - [ -0.0103047600000000, -0.0076361100000000, -0.0056317800000000 ] - [ -0.0015039700000000, 0.0006259000000000, -0.0011843000000000 ] - [ -0.0016695100000000, 0.0003770300000000, 0.0018875900000000 ] - [ -0.0016768400000000, 0.0000629400000000, 0.0006744400000000 ] - [ 0.0010855500000000, 0.0027053000000000, -0.0001982100000000 ] - [ 0.0001445100000000, 0.0010008900000000, -0.0002759900000000 ] - [ -0.0000230000000000, 0.0004761000000000, 0.0001639500000000 ] - [ 0.0000685700000000, 0.0017222800000000, -0.0000637300000000 ] - [ -0.0001907400000000, -0.0015688800000000, 0.0001178100000000 ] - [ 0.0003805800000000, 0.0008784200000000, -0.0007520900000000 ] - [ 0.0014000600000000, -0.0002426300000000, 0.0014674400000000 ] - [ 0.0013593800000000, -0.0005666200000000, 0.0012294300000000 ] - [ -0.0005732600000000, 0.0004883400000000, -0.0021059000000000 ] - [ -0.0006675000000000, 0.0017000500000000, -0.0022382400000000 ] - [ -0.0005515500000000, 0.0011599500000000, -0.0013477900000000 ] - [ 0.0000825700000000, -0.0007266000000000, -0.0001844200000000 ] - [ -0.0001046400000000, -0.0011612500000000, -0.0009496500000000 ] - [ -0.0001415700000000, -0.0011738200000000, -0.0006531800000000 ] - [ 0.0003599100000000, -0.0014811200000000, 0.0009075900000000 ] - [ 0.0001152300000000, -0.0012844600000000, 0.0002209400000000 ]- atom: 69 displacement: [ 0.0019782548681478, 0.0000000000000000, -0.0098023725534510 ] forces: - [ 0.0014303600000000, -0.0050000900000000, 0.0004702500000000 ] - [ -0.0009767800000000, 0.0003228100000000, -0.0024729800000000 ] - [ -0.0033040300000000, 0.0011096900000000, 0.0000040400000000 ] - [ -0.0010395000000000, -0.0018894800000000, -0.0025049500000000 ] - [ 0.0016942400000000, 0.0002571000000000, -0.0205385000000000 ] - [ -0.0010852700000000, 0.0013221200000000, -0.0036711400000000 ] - [ -0.0015170400000000, 0.0008794500000000, 0.0017833400000000 ] - [ -0.0010351300000000, 0.0011140200000000, -0.0012856600000000 ] - [ 0.0044723900000000, -0.0102006800000000, -0.0201924400000000 ] - [ 0.0009312600000000, -0.0017173800000000, -0.0033720500000000 ] - [ 0.0012551900000000, -0.0017079800000000, 0.0037391300000000 ] - [ 0.0016087600000000, 0.0004403400000000, 0.0003256300000000 ] - [ -0.0019160100000000, 0.0017550300000000, -0.0017862900000000 ] - [ -0.0059934800000000, 0.0081637300000000, -0.0193802200000000 ] - [ -0.0018158800000000, -0.0009602100000000, 0.0026651600000000 ] - [ -0.0024428200000000, 0.0007963800000000, 0.0055206600000000 ] - [ 0.0051554700000000, -0.0022893900000000, -0.0167807700000000 ] - [ 0.0017899400000000, 0.0005418800000000, -0.0021748000000000 ] - [ 0.0008171700000000, -0.0001229100000000, 0.0051987200000000 ] - [ 0.0015632300000000, 0.0004140400000000, -0.0000384300000000 ] - [ -0.0025001100000000, -0.0042587000000000, -0.0001637000000000 ] - [ -0.0019824600000000, 0.0048603400000000, 0.0008863700000000 ] - [ -0.0020107900000000, 0.0022183600000000, 0.0049311900000000 ] - [ -0.0015253200000000, -0.0011486900000000, 0.0040917700000000 ] - [ 0.0008349800000000, -0.0018021900000000, 0.0009651700000000 ] - [ -0.0010266300000000, -0.0001191900000000, -0.0021702700000000 ] - [ 0.0011395100000000, -0.0009303500000000, 0.0039352200000000 ] - [ 0.0009673200000000, -0.0012355800000000, 0.0058377400000000 ] - [ 0.0032362100000000, 0.0024438300000000, 0.0018628600000000 ] - [ 0.0020657500000000, -0.0004070800000000, 0.0021731100000000 ] - [ 0.0008019800000000, -0.0002897300000000, 0.0035735400000000 ] - [ 0.0015227700000000, 0.0023954400000000, 0.0034182600000000 ] - [ -0.0008720900000000, -0.0000612000000000, -0.0010001100000000 ] - [ 0.0000006800000000, 0.0062429700000000, 0.0051990500000000 ] - [ -0.0011630300000000, 0.0020910800000000, -0.0009251200000000 ] - [ -0.0041316900000000, -0.0018128300000000, 0.0023498700000000 ] - [ -0.0009215300000000, -0.0014091000000000, -0.0073771200000000 ] - [ -0.0010517700000000, -0.0001558200000000, -0.0029308000000000 ] - [ -0.0008973400000000, -0.0013111800000000, 0.0012362000000000 ] - [ -0.0009618800000000, -0.0009020500000000, 0.0005274800000000 ] - [ -0.0029678800000000, -0.0003309400000000, -0.0019072800000000 ] - [ 0.0007402900000000, 0.0014920800000000, -0.0006087900000000 ] - [ 0.0011918300000000, 0.0007923600000000, 0.0031797200000000 ] - [ 0.0010870600000000, 0.0008798200000000, 0.0024026900000000 ] - [ 0.0062266900000000, -0.0025092700000000, 0.0007610700000000 ] - [ 0.0010950400000000, -0.0008685800000000, 0.0008191200000000 ] - [ -0.0019343700000000, 0.0002763700000000, 0.0013506000000000 ] - [ 0.0010006100000000, -0.0007502400000000, 0.0012758600000000 ] - [ 0.0003722600000000, 0.0011124500000000, 0.0012243100000000 ] - [ 0.0002271100000000, 0.0007082500000000, 0.0021792000000000 ] - [ -0.0001353600000000, 0.0013854200000000, -0.0003494300000000 ] - [ -0.0001199200000000, 0.0012037800000000, -0.0008368500000000 ] - [ 0.0071626100000000, -0.0003530200000000, 0.0010411200000000 ] - [ 0.0006010700000000, -0.0010555500000000, 0.0024399400000000 ] - [ 0.0006218000000000, 0.0000658000000000, -0.0031714700000000 ] - [ 0.0006562000000000, -0.0006087200000000, 0.0012447000000000 ] - [ 0.0041229600000000, -0.0054847800000000, 0.0038070800000000 ] - [ -0.0009274600000000, -0.0000796600000000, 0.0010230500000000 ] - [ -0.0011051100000000, 0.0009276800000000, -0.0023247500000000 ] - [ -0.0009126100000000, 0.0000542800000000, -0.0008114100000000 ] - [ -0.0001685800000000, -0.0000188900000000, 0.0000469000000000 ] - [ -0.0013581000000000, -0.0039582600000000, -0.0006566800000000 ] - [ 0.0000000500000000, -0.0023504400000000, 0.0000106500000000 ] - [ 0.0006699400000000, 0.0002778700000000, 0.0001219500000000 ] - [ 0.0014938200000000, -0.0005424100000000, 0.0039179800000000 ] - [ 0.0021416800000000, -0.0006532200000000, 0.0036481700000000 ] - [ 0.0019335400000000, 0.0000288000000000, -0.0011823400000000 ] - [ 0.0017957900000000, -0.0004284100000000, -0.0011734500000000 ] - [ -0.0029385900000000, 0.0120873100000000, 0.0986768700000000 ] - [ 0.0014105000000000, -0.0003278900000000, 0.0025058800000000 ] - [ 0.0013957900000000, -0.0002529400000000, -0.0015481500000000 ] - [ 0.0012537600000000, -0.0002166300000000, 0.0005105100000000 ] - [ -0.0014144800000000, 0.0035483500000000, 0.0042930600000000 ] - [ 0.0006943000000000, 0.0005599500000000, 0.0027468100000000 ] - [ 0.0009370700000000, 0.0004664600000000, -0.0002536000000000 ] - [ 0.0006223400000000, 0.0007441600000000, 0.0009484200000000 ] - [ -0.0123167200000000, -0.0040515300000000, -0.0159956600000000 ] - [ -0.0011171200000000, -0.0000686300000000, 0.0006683000000000 ] - [ -0.0001101400000000, -0.0006805000000000, -0.0023002400000000 ] - [ -0.0008000100000000, -0.0004303300000000, -0.0005375100000000 ] - [ 0.0015781400000000, 0.0010878500000000, 0.0000425700000000 ] - [ 0.0016437400000000, -0.0036904300000000, -0.0028490900000000 ] - [ 0.0019965300000000, -0.0005754600000000, 0.0000776900000000 ] - [ 0.0026977500000000, 0.0029350400000000, -0.0037758600000000 ] - [ 0.0007384500000000, 0.0067516500000000, -0.0028174700000000 ] - [ 0.0009726500000000, -0.0009982200000000, 0.0011289400000000 ] - [ 0.0024366800000000, -0.0011821000000000, -0.0024833500000000 ] - [ 0.0015100300000000, 0.0008812900000000, 0.0012454100000000 ] - [ -0.0072068000000000, -0.0085354900000000, -0.0060098300000000 ] - [ -0.0012519500000000, 0.0049459900000000, -0.0047784600000000 ] - [ -0.0007441800000000, 0.0009499400000000, -0.0022025900000000 ] - [ -0.0009113400000000, -0.0010263100000000, -0.0022363600000000 ] - [ -0.0101157500000000, 0.0004059700000000, -0.0086288600000000 ] - [ -0.0016272700000000, -0.0002000400000000, -0.0000600100000000 ] - [ 0.0037904100000000, 0.0004086300000000, -0.0059912200000000 ] - [ -0.0016648700000000, -0.0003601500000000, -0.0003897900000000 ] - [ 0.0004790900000000, -0.0001453400000000, 0.0008771100000000 ] - [ -0.0022337400000000, 0.0006991400000000, 0.0020880700000000 ] - [ 0.0010780500000000, 0.0002457400000000, -0.0007399400000000 ] - [ 0.0018645100000000, -0.0012254000000000, -0.0018674400000000 ] - [ -0.0000308400000000, 0.0002965600000000, 0.0006053000000000 ] - [ -0.0008326400000000, -0.0007301400000000, -0.0001194600000000 ] - [ -0.0006435300000000, -0.0008736300000000, -0.0033243000000000 ] - [ -0.0005930900000000, -0.0011462400000000, -0.0032622900000000 ] - [ -0.0014366200000000, 0.0009542800000000, 0.0000572300000000 ] - [ 0.0064733900000000, -0.0097761300000000, 0.0040740300000000 ] - [ -0.0011611100000000, -0.0004042200000000, -0.0025791700000000 ] - [ -0.0014018400000000, 0.0005837400000000, -0.0039468000000000 ] - [ 0.0069943600000000, 0.0080912700000000, 0.0051204900000000 ] - [ -0.0017649300000000, -0.0001580300000000, 0.0007610600000000 ] - [ -0.0015995300000000, 0.0000907600000000, -0.0022984700000000 ] - [ -0.0016069900000000, 0.0004100100000000, -0.0010869500000000 ] - [ -0.0010861800000000, -0.0001064800000000, -0.0001989900000000 ] - [ -0.0001429400000000, 0.0015848800000000, -0.0001252400000000 ] - [ 0.0000451900000000, 0.0021424300000000, -0.0005724300000000 ] - [ -0.0000464500000000, 0.0009012000000000, -0.0003420300000000 ] - [ 0.0021956900000000, 0.0012446300000000, -0.0002248900000000 ] - [ 0.0016224000000000, -0.0012333000000000, 0.0006755900000000 ] - [ 0.0006047000000000, -0.0001142100000000, -0.0015343000000000 ] - [ 0.0006463200000000, 0.0002290600000000, -0.0013064800000000 ] - [ -0.0006597000000000, 0.0010802200000000, -0.0015949800000000 ] - [ -0.0005695900000000, -0.0001219200000000, -0.0014734000000000 ] - [ -0.0006950500000000, 0.0004487500000000, -0.0023772800000000 ] - [ -0.0013238500000000, 0.0023272200000000, -0.0035225500000000 ] - [ 0.0000264200000000, -0.0014284400000000, 0.0005354000000000 ] - [ 0.0001603900000000, -0.0014423500000000, 0.0002510700000000 ] - [ -0.0003506600000000, -0.0011193200000000, -0.0013122800000000 ] - [ -0.0000977800000000, -0.0013300500000000, -0.0006231300000000 ]