# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5c0290df-5633-4284-8c7e-b0d959f7c0a4/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 Sm2TeO6 / P2_12_12_1 (19) / materials id 772900](https://mdr.nims.go.jp/datasets/4d0952e2-854b-4ed7-abd5-520f64365650) ## 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_12_12_1" number: 19 Hall_symbol: "P 2ac 2ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.363774140000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.206726809999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.069854400000001 ] # c points: - symbol: Sm # 1 coordinates: [ 0.025029260000000, 0.896446740000000, 0.038387510000000 ] mass: 150.360000 - symbol: Sm # 2 coordinates: [ 0.036370220000000, 0.782602170000000, 0.635109730000000 ] mass: 150.360000 - symbol: Sm # 3 coordinates: [ 0.463629780000000, 0.217397830000000, 0.135109730000000 ] mass: 150.360000 - symbol: Sm # 4 coordinates: [ 0.474970740000000, 0.103553260000000, 0.538387510000000 ] mass: 150.360000 - symbol: Sm # 5 coordinates: [ 0.525029260000000, 0.603553260000000, 0.961612490000000 ] mass: 150.360000 - symbol: Sm # 6 coordinates: [ 0.536370220000000, 0.717397830000000, 0.364890270000000 ] mass: 150.360000 - symbol: Sm # 7 coordinates: [ 0.963629780000000, 0.282602170000000, 0.864890270000000 ] mass: 150.360000 - symbol: Sm # 8 coordinates: [ 0.974970740000000, 0.396446740000000, 0.461612490000000 ] mass: 150.360000 - symbol: Te # 9 coordinates: [ 0.041900230000000, 0.504890050000000, 0.146030670000000 ] mass: 127.600000 - symbol: Te # 10 coordinates: [ 0.458099770000000, 0.495109950000000, 0.646030670000000 ] mass: 127.600000 - symbol: Te # 11 coordinates: [ 0.541900230000000, 0.995109950000000, 0.853969330000000 ] mass: 127.600000 - symbol: Te # 12 coordinates: [ 0.958099770000000, 0.004890050000000, 0.353969330000000 ] mass: 127.600000 - symbol: O # 13 coordinates: [ 0.073633720000000, 0.152071730000000, 0.476090270000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.167392730000000, 0.053224860000000, 0.206945210000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.182906960000000, 0.360558750000000, 0.260883330000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.184887950000000, 0.360130510000000, 0.677599690000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.226192250000000, 0.887881130000000, 0.433841840000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.248712480000000, 0.412343940000000, 0.007947490000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.251287520000000, 0.587656060000000, 0.507947490000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.273807750000000, 0.112118870000000, 0.933841840000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.315112050000000, 0.639869490000000, 0.177599690000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.317093040000000, 0.639441250000000, 0.760883330000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.332607270000000, 0.946775140000000, 0.706945210000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.426366280000000, 0.847928270000000, 0.976090270000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.573633720000000, 0.347928270000000, 0.523909730000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.667392730000000, 0.446775140000000, 0.793054790000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.682906960000000, 0.139441250000000, 0.739116670000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.684887950000000, 0.139869490000000, 0.322400310000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.726192250000000, 0.612118870000000, 0.566158160000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.748712480000000, 0.087656060000000, 0.992052510000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.751287520000000, 0.912343940000000, 0.492052510000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.773807750000000, 0.387881130000000, 0.066158160000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.815112050000000, 0.860130510000000, 0.822400310000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.817093040000000, 0.860558750000000, 0.239116670000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.832607270000000, 0.553224860000000, 0.293054790000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.926366280000000, 0.652071730000000, 0.023909730000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.186435888965302, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.108616234698507, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.099306301787243 ] # c*unit_cell: lattice: - [ 5.363774140000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.206726809999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.069854400000001 ] # c points: - symbol: Sm # 1 coordinates: [ 0.025029260000000, 0.896446740000000, 0.038387510000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 2 coordinates: [ 0.036370220000000, 0.782602170000000, 0.635109730000000 ] mass: 150.360000 reduced_to: 2 - symbol: Sm # 3 coordinates: [ 0.463629780000000, 0.217397830000000, 0.135109730000000 ] mass: 150.360000 reduced_to: 3 - symbol: Sm # 4 coordinates: [ 0.474970740000000, 0.103553260000000, 0.538387510000000 ] mass: 150.360000 reduced_to: 4 - symbol: Sm # 5 coordinates: [ 0.525029260000000, 0.603553260000000, 0.961612490000000 ] mass: 150.360000 reduced_to: 5 - symbol: Sm # 6 coordinates: [ 0.536370220000000, 0.717397830000000, 0.364890270000000 ] mass: 150.360000 reduced_to: 6 - symbol: Sm # 7 coordinates: [ 0.963629780000000, 0.282602170000000, 0.864890270000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 8 coordinates: [ 0.974970740000000, 0.396446740000000, 0.461612490000000 ] mass: 150.360000 reduced_to: 8 - symbol: Te # 9 coordinates: [ 0.041900230000000, 0.504890050000000, 0.146030670000000 ] mass: 127.600000 reduced_to: 9 - symbol: Te # 10 coordinates: [ 0.458099770000000, 0.495109950000000, 0.646030670000000 ] mass: 127.600000 reduced_to: 10 - symbol: Te # 11 coordinates: [ 0.541900230000000, 0.995109950000000, 0.853969330000000 ] mass: 127.600000 reduced_to: 11 - symbol: Te # 12 coordinates: [ 0.958099770000000, 0.004890050000000, 0.353969330000000 ] mass: 127.600000 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.073633720000000, 0.152071730000000, 0.476090270000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.167392730000000, 0.053224860000000, 0.206945210000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.182906960000000, 0.360558750000000, 0.260883330000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.184887950000000, 0.360130510000000, 0.677599690000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.226192250000000, 0.887881130000000, 0.433841840000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.248712480000000, 0.412343940000000, 0.007947490000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.251287520000000, 0.587656060000000, 0.507947490000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.273807750000000, 0.112118870000000, 0.933841840000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.315112050000000, 0.639869490000000, 0.177599690000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.317093040000000, 0.639441250000000, 0.760883330000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.332607270000000, 0.946775140000000, 0.706945210000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.426366280000000, 0.847928270000000, 0.976090270000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.573633720000000, 0.347928270000000, 0.523909730000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.667392730000000, 0.446775140000000, 0.793054790000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.682906960000000, 0.139441250000000, 0.739116670000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.684887950000000, 0.139869490000000, 0.322400310000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.726192250000000, 0.612118870000000, 0.566158160000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.748712480000000, 0.087656060000000, 0.992052510000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.751287520000000, 0.912343940000000, 0.492052510000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.773807750000000, 0.387881130000000, 0.066158160000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.815112050000000, 0.860130510000000, 0.822400310000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.817093040000000, 0.860558750000000, 0.239116670000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.832607270000000, 0.553224860000000, 0.293054790000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.926366280000000, 0.652071730000000, 0.023909730000000 ] mass: 15.999400 reduced_to: 36supercell: lattice: - [ 10.727548280000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 18.413453619999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.069854400000001 ] # c points: - symbol: Sm # 1 coordinates: [ 0.012514630000000, 0.448223370000000, 0.038387510000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 2 coordinates: [ 0.512514630000000, 0.448223370000000, 0.038387510000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 3 coordinates: [ 0.012514630000000, 0.948223370000000, 0.038387510000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 4 coordinates: [ 0.512514630000000, 0.948223370000000, 0.038387510000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 5 coordinates: [ 0.018185110000000, 0.391301085000000, 0.635109730000000 ] mass: 150.360000 reduced_to: 5 - symbol: Sm # 6 coordinates: [ 0.518185110000000, 0.391301085000000, 0.635109730000000 ] mass: 150.360000 reduced_to: 5 - symbol: Sm # 7 coordinates: [ 0.018185110000000, 0.891301085000000, 0.635109730000000 ] mass: 150.360000 reduced_to: 5 - symbol: Sm # 8 coordinates: [ 0.518185110000000, 0.891301085000000, 0.635109730000000 ] mass: 150.360000 reduced_to: 5 - symbol: Sm # 9 coordinates: [ 0.231814890000000, 0.108698915000000, 0.135109730000000 ] mass: 150.360000 reduced_to: 9 - symbol: Sm # 10 coordinates: [ 0.731814890000000, 0.108698915000000, 0.135109730000000 ] mass: 150.360000 reduced_to: 9 - symbol: Sm # 11 coordinates: [ 0.231814890000000, 0.608698915000000, 0.135109730000000 ] mass: 150.360000 reduced_to: 9 - symbol: Sm # 12 coordinates: [ 0.731814890000000, 0.608698915000000, 0.135109730000000 ] mass: 150.360000 reduced_to: 9 - symbol: Sm # 13 coordinates: [ 0.237485370000000, 0.051776630000000, 0.538387510000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 14 coordinates: [ 0.737485370000000, 0.051776630000000, 0.538387510000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 15 coordinates: [ 0.237485370000000, 0.551776630000000, 0.538387510000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 16 coordinates: [ 0.737485370000000, 0.551776630000000, 0.538387510000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 17 coordinates: [ 0.262514630000000, 0.301776630000000, 0.961612490000000 ] mass: 150.360000 reduced_to: 17 - symbol: Sm # 18 coordinates: [ 0.762514630000000, 0.301776630000000, 0.961612490000000 ] mass: 150.360000 reduced_to: 17 - symbol: Sm # 19 coordinates: [ 0.262514630000000, 0.801776630000000, 0.961612490000000 ] mass: 150.360000 reduced_to: 17 - symbol: Sm # 20 coordinates: [ 0.762514630000000, 0.801776630000000, 0.961612490000000 ] mass: 150.360000 reduced_to: 17 - symbol: Sm # 21 coordinates: [ 0.268185110000000, 0.358698915000000, 0.364890270000000 ] mass: 150.360000 reduced_to: 21 - symbol: Sm # 22 coordinates: [ 0.768185110000000, 0.358698915000000, 0.364890270000000 ] mass: 150.360000 reduced_to: 21 - symbol: Sm # 23 coordinates: [ 0.268185110000000, 0.858698915000000, 0.364890270000000 ] mass: 150.360000 reduced_to: 21 - symbol: Sm # 24 coordinates: [ 0.768185110000000, 0.858698915000000, 0.364890270000000 ] mass: 150.360000 reduced_to: 21 - symbol: Sm # 25 coordinates: [ 0.481814890000000, 0.141301085000000, 0.864890270000000 ] mass: 150.360000 reduced_to: 25 - symbol: Sm # 26 coordinates: [ 0.981814890000000, 0.141301085000000, 0.864890270000000 ] mass: 150.360000 reduced_to: 25 - symbol: Sm # 27 coordinates: [ 0.481814890000000, 0.641301085000000, 0.864890270000000 ] mass: 150.360000 reduced_to: 25 - symbol: Sm # 28 coordinates: [ 0.981814890000000, 0.641301085000000, 0.864890270000000 ] mass: 150.360000 reduced_to: 25 - symbol: Sm # 29 coordinates: [ 0.487485370000000, 0.198223370000000, 0.461612490000000 ] mass: 150.360000 reduced_to: 29 - symbol: Sm # 30 coordinates: [ 0.987485370000000, 0.198223370000000, 0.461612490000000 ] mass: 150.360000 reduced_to: 29 - symbol: Sm # 31 coordinates: [ 0.487485370000000, 0.698223370000000, 0.461612490000000 ] mass: 150.360000 reduced_to: 29 - symbol: Sm # 32 coordinates: [ 0.987485370000000, 0.698223370000000, 0.461612490000000 ] mass: 150.360000 reduced_to: 29 - symbol: Te # 33 coordinates: [ 0.020950115000000, 0.252445025000000, 0.146030670000000 ] mass: 127.600000 reduced_to: 33 - symbol: Te # 34 coordinates: [ 0.520950115000000, 0.252445025000000, 0.146030670000000 ] mass: 127.600000 reduced_to: 33 - symbol: Te # 35 coordinates: [ 0.020950115000000, 0.752445025000000, 0.146030670000000 ] mass: 127.600000 reduced_to: 33 - symbol: Te # 36 coordinates: [ 0.520950115000000, 0.752445025000000, 0.146030670000000 ] mass: 127.600000 reduced_to: 33 - symbol: Te # 37 coordinates: [ 0.229049885000000, 0.247554975000000, 0.646030670000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 38 coordinates: [ 0.729049885000000, 0.247554975000000, 0.646030670000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 39 coordinates: [ 0.229049885000000, 0.747554975000000, 0.646030670000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 40 coordinates: [ 0.729049885000000, 0.747554975000000, 0.646030670000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 41 coordinates: [ 0.270950115000000, 0.497554975000000, 0.853969330000000 ] mass: 127.600000 reduced_to: 41 - symbol: Te # 42 coordinates: [ 0.770950115000000, 0.497554975000000, 0.853969330000000 ] mass: 127.600000 reduced_to: 41 - symbol: Te # 43 coordinates: [ 0.270950115000000, 0.997554975000000, 0.853969330000000 ] mass: 127.600000 reduced_to: 41 - symbol: Te # 44 coordinates: [ 0.770950115000000, 0.997554975000000, 0.853969330000000 ] mass: 127.600000 reduced_to: 41 - symbol: Te # 45 coordinates: [ 0.479049885000000, 0.002445025000000, 0.353969330000000 ] mass: 127.600000 reduced_to: 45 - symbol: Te # 46 coordinates: [ 0.979049885000000, 0.002445025000000, 0.353969330000000 ] mass: 127.600000 reduced_to: 45 - symbol: Te # 47 coordinates: [ 0.479049885000000, 0.502445025000000, 0.353969330000000 ] mass: 127.600000 reduced_to: 45 - symbol: Te # 48 coordinates: [ 0.979049885000000, 0.502445025000000, 0.353969330000000 ] mass: 127.600000 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.036816860000000, 0.076035865000000, 0.476090270000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.536816860000000, 0.076035865000000, 0.476090270000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.036816860000000, 0.576035865000000, 0.476090270000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.536816860000000, 0.576035865000000, 0.476090270000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.083696365000000, 0.026612430000000, 0.206945210000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.583696365000000, 0.026612430000000, 0.206945210000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.083696365000000, 0.526612430000000, 0.206945210000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.583696365000000, 0.526612430000000, 0.206945210000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.091453480000000, 0.180279375000000, 0.260883330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.591453480000000, 0.180279375000000, 0.260883330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.091453480000000, 0.680279375000000, 0.260883330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.591453480000000, 0.680279375000000, 0.260883330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.092443975000000, 0.180065255000000, 0.677599690000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.592443975000000, 0.180065255000000, 0.677599690000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.092443975000000, 0.680065255000000, 0.677599690000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.592443975000000, 0.680065255000000, 0.677599690000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.113096125000000, 0.443940565000000, 0.433841840000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.613096125000000, 0.443940565000000, 0.433841840000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.113096125000000, 0.943940565000000, 0.433841840000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.613096125000000, 0.943940565000000, 0.433841840000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.124356240000000, 0.206171970000000, 0.007947490000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.624356240000000, 0.206171970000000, 0.007947490000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.124356240000000, 0.706171970000000, 0.007947490000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.624356240000000, 0.706171970000000, 0.007947490000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.125643760000000, 0.293828030000000, 0.507947490000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.625643760000000, 0.293828030000000, 0.507947490000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.125643760000000, 0.793828030000000, 0.507947490000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.625643760000000, 0.793828030000000, 0.507947490000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.136903875000000, 0.056059435000000, 0.933841840000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.636903875000000, 0.056059435000000, 0.933841840000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.136903875000000, 0.556059435000000, 0.933841840000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.636903875000000, 0.556059435000000, 0.933841840000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.157556025000000, 0.319934745000000, 0.177599690000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.657556025000000, 0.319934745000000, 0.177599690000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.157556025000000, 0.819934745000000, 0.177599690000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.657556025000000, 0.819934745000000, 0.177599690000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.158546520000000, 0.319720625000000, 0.760883330000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.658546520000000, 0.319720625000000, 0.760883330000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.158546520000000, 0.819720625000000, 0.760883330000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.658546520000000, 0.819720625000000, 0.760883330000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.166303635000000, 0.473387570000000, 0.706945210000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.666303635000000, 0.473387570000000, 0.706945210000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.166303635000000, 0.973387570000000, 0.706945210000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.666303635000000, 0.973387570000000, 0.706945210000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.213183140000000, 0.423964135000000, 0.976090270000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.713183140000000, 0.423964135000000, 0.976090270000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.213183140000000, 0.923964135000000, 0.976090270000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.713183140000000, 0.923964135000000, 0.976090270000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.286816860000000, 0.173964135000000, 0.523909730000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.786816860000000, 0.173964135000000, 0.523909730000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.286816860000000, 0.673964135000000, 0.523909730000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.786816860000000, 0.673964135000000, 0.523909730000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.333696365000000, 0.223387570000000, 0.793054790000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.833696365000000, 0.223387570000000, 0.793054790000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.333696365000000, 0.723387570000000, 0.793054790000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.833696365000000, 0.723387570000000, 0.793054790000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.341453480000000, 0.069720625000000, 0.739116670000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.841453480000000, 0.069720625000000, 0.739116670000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.341453480000000, 0.569720625000000, 0.739116670000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.841453480000000, 0.569720625000000, 0.739116670000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.342443975000000, 0.069934745000000, 0.322400310000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.842443975000000, 0.069934745000000, 0.322400310000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.342443975000000, 0.569934745000000, 0.322400310000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.842443975000000, 0.569934745000000, 0.322400310000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.363096125000000, 0.306059435000000, 0.566158160000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.863096125000000, 0.306059435000000, 0.566158160000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.363096125000000, 0.806059435000000, 0.566158160000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 116 coordinates: [ 0.863096125000000, 0.806059435000000, 0.566158160000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 117 coordinates: [ 0.374356240000000, 0.043828030000000, 0.992052510000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.874356240000000, 0.043828030000000, 0.992052510000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.374356240000000, 0.543828030000000, 0.992052510000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 120 coordinates: [ 0.874356240000000, 0.543828030000000, 0.992052510000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 121 coordinates: [ 0.375643760000000, 0.456171970000000, 0.492052510000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.875643760000000, 0.456171970000000, 0.492052510000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.375643760000000, 0.956171970000000, 0.492052510000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.875643760000000, 0.956171970000000, 0.492052510000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.386903875000000, 0.193940565000000, 0.066158160000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.886903875000000, 0.193940565000000, 0.066158160000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.386903875000000, 0.693940565000000, 0.066158160000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 128 coordinates: [ 0.886903875000000, 0.693940565000000, 0.066158160000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 129 coordinates: [ 0.407556025000000, 0.430065255000000, 0.822400310000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.907556025000000, 0.430065255000000, 0.822400310000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 131 coordinates: [ 0.407556025000000, 0.930065255000000, 0.822400310000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 132 coordinates: [ 0.907556025000000, 0.930065255000000, 0.822400310000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 133 coordinates: [ 0.408546520000000, 0.430279375000000, 0.239116670000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.908546520000000, 0.430279375000000, 0.239116670000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.408546520000000, 0.930279375000000, 0.239116670000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 136 coordinates: [ 0.908546520000000, 0.930279375000000, 0.239116670000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 137 coordinates: [ 0.416303635000000, 0.276612430000000, 0.293054790000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.916303635000000, 0.276612430000000, 0.293054790000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 139 coordinates: [ 0.416303635000000, 0.776612430000000, 0.293054790000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 140 coordinates: [ 0.916303635000000, 0.776612430000000, 0.293054790000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 141 coordinates: [ 0.463183140000000, 0.326035865000000, 0.023909730000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.963183140000000, 0.326035865000000, 0.023909730000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 143 coordinates: [ 0.463183140000000, 0.826035865000000, 0.023909730000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 144 coordinates: [ 0.963183140000000, 0.826035865000000, 0.023909730000000 ] mass: 15.999400 reduced_to: 141displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1563569800000000, 0.0062792800000000, 0.0103032200000000 ] - [ 0.0156692800000000, -0.0008717500000000, -0.0007396300000000 ] - [ -0.0002747000000000, -0.0002277900000000, -0.0002790900000000 ] - [ 0.0003438700000000, -0.0002232400000000, -0.0001572900000000 ] - [ -0.0107529800000000, 0.0003716400000000, 0.0009638600000000 ] - [ 0.0057721400000000, -0.0001128500000000, -0.0015156800000000 ] - [ -0.0004320200000000, -0.0000355800000000, -0.0002087800000000 ] - [ 0.0003847300000000, -0.0000552000000000, -0.0002033600000000 ] - [ -0.0000191500000000, -0.0009554200000000, -0.0002099700000000 ] - [ 0.0004446900000000, 0.0008755700000000, -0.0004864800000000 ] - [ 0.0042729400000000, 0.0114028600000000, 0.0055690800000000 ] - [ 0.0075936100000000, -0.0079919000000000, -0.0050998000000000 ] - [ -0.0000607300000000, -0.0000979600000000, -0.0002761800000000 ] - [ 0.0000045100000000, 0.0005838600000000, -0.0001498000000000 ] - [ 0.0003238100000000, 0.0019871800000000, -0.0027532000000000 ] - [ 0.0023707100000000, -0.0014764900000000, 0.0016499000000000 ] - [ 0.0066227600000000, -0.0180973300000000, -0.0021609800000000 ] - [ 0.0066462600000000, 0.0136332200000000, 0.0026911000000000 ] - [ 0.0001490000000000, 0.0009765000000000, 0.0001936100000000 ] - [ 0.0001520500000000, -0.0005155200000000, 0.0001973400000000 ] - [ 0.0021314300000000, -0.0012088700000000, 0.0051790200000000 ] - [ 0.0048867200000000, 0.0046654300000000, -0.0046485500000000 ] - [ 0.0001307100000000, 0.0002232000000000, 0.0002560600000000 ] - [ -0.0001049400000000, -0.0001958200000000, 0.0002057200000000 ] - [ 0.0016203700000000, -0.0005247900000000, 0.0001032000000000 ] - [ -0.0016751800000000, 0.0006225000000000, 0.0005992900000000 ] - [ 0.0055345300000000, 0.0010089200000000, 0.0000870000000000 ] - [ -0.0122744300000000, -0.0020573500000000, 0.0012314800000000 ] - [ 0.0012394200000000, -0.0003828500000000, 0.0002554600000000 ] - [ -0.0017876800000000, 0.0004783500000000, 0.0001544100000000 ] - [ 0.0012378800000000, -0.0000893300000000, -0.0000173400000000 ] - [ -0.0017837100000000, -0.0002180200000000, 0.0004676300000000 ] - [ -0.0134081200000000, 0.0008194200000000, -0.0046271000000000 ] - [ 0.0050416400000000, 0.0000549800000000, 0.0012169700000000 ] - [ -0.0031611200000000, 0.0001930600000000, -0.0004626100000000 ] - [ 0.0023253300000000, -0.0004056200000000, 0.0007987900000000 ] - [ -0.0002971600000000, -0.0019607900000000, -0.0025342900000000 ] - [ 0.0009352800000000, 0.0021088500000000, 0.0013975300000000 ] - [ -0.0004637600000000, 0.0010905200000000, -0.0001617400000000 ] - [ 0.0006346400000000, -0.0011560100000000, 0.0002097400000000 ] - [ 0.0296323300000000, 0.0204460300000000, -0.0300655800000000 ] - [ 0.0294097600000000, -0.0115087200000000, 0.0299754400000000 ] - [ -0.0000189100000000, 0.0000003000000000, -0.0001308900000000 ] - [ 0.0000963600000000, 0.0002524100000000, -0.0001083500000000 ] - [ 0.0004022800000000, -0.0001342600000000, -0.0001463800000000 ] - [ -0.0005038200000000, -0.0001671800000000, -0.0000964200000000 ] - [ 0.0058426600000000, 0.0008492300000000, 0.0005210800000000 ] - [ -0.0224119300000000, -0.0149283800000000, -0.0047925400000000 ] - [ 0.0000950800000000, -0.0002114800000000, -0.0001796400000000 ] - [ -0.0003233800000000, -0.0002460400000000, -0.0001917300000000 ] - [ 0.0023836600000000, -0.0007902200000000, -0.0014566400000000 ] - [ -0.0021774600000000, -0.0000520800000000, -0.0005049700000000 ] - [ -0.0000230800000000, 0.0000234500000000, -0.0001451600000000 ] - [ -0.0004703400000000, -0.0003530100000000, -0.0000440500000000 ] - [ 0.0158316700000000, 0.0084411200000000, 0.0008912800000000 ] - [ -0.0037208500000000, -0.0010462800000000, 0.0011503700000000 ] - [ 0.0015912300000000, 0.0017787900000000, -0.0008085800000000 ] - [ -0.0004714500000000, 0.0000104900000000, 0.0002132600000000 ] - [ 0.0017781100000000, -0.0012797300000000, -0.0006134600000000 ] - [ -0.0015928500000000, 0.0016698200000000, 0.0006397200000000 ] - [ 0.0008549200000000, 0.0009318300000000, 0.0000825100000000 ] - [ -0.0010747700000000, -0.0008069500000000, -0.0000751100000000 ] - [ 0.0009458200000000, -0.0004698000000000, -0.0006891400000000 ] - [ -0.0011427000000000, 0.0001034200000000, 0.0002100300000000 ] - [ 0.0042665700000000, 0.0016505000000000, -0.0004818600000000 ] - [ -0.0024481700000000, 0.0003003100000000, -0.0001804200000000 ] - [ 0.0000880300000000, 0.0002106500000000, -0.0001694800000000 ] - [ -0.0001141600000000, 0.0002284000000000, -0.0001508100000000 ] - [ 0.0033566400000000, 0.0006046100000000, 0.0003300900000000 ] - [ -0.0018920200000000, -0.0009635800000000, 0.0004179500000000 ] - [ 0.0015765700000000, -0.0016924800000000, 0.0001500700000000 ] - [ -0.0013152200000000, 0.0009814600000000, -0.0001605200000000 ] - [ 0.0012995400000000, -0.0003173500000000, 0.0005011100000000 ] - [ -0.0013070300000000, -0.0005107500000000, 0.0005535400000000 ] - [ 0.0002247700000000, -0.0001345200000000, 0.0001774400000000 ] - [ -0.0001733400000000, 0.0001913100000000, 0.0000984400000000 ] - [ 0.0002413500000000, -0.0002241600000000, -0.0000981500000000 ] - [ -0.0002343900000000, -0.0002138600000000, -0.0002178400000000 ] - [ 0.0071902100000000, -0.0103494100000000, 0.0025676400000000 ] - [ -0.0068232300000000, 0.0030340200000000, -0.0005301000000000 ] - [ 0.0047391200000000, 0.0096090500000000, -0.0030891600000000 ] - [ -0.0031064400000000, -0.0018842700000000, -0.0001490200000000 ] - [ 0.0002126400000000, -0.0003769400000000, -0.0002649500000000 ] - [ 0.0001008800000000, 0.0003293200000000, -0.0000376700000000 ] - [ 0.0010976700000000, 0.0016745600000000, 0.0034227500000000 ] - [ -0.0015679300000000, -0.0011316600000000, -0.0015799600000000 ] - [ -0.0000772800000000, -0.0005120600000000, 0.0000486600000000 ] - [ -0.0003492200000000, -0.0002166100000000, -0.0001253500000000 ] - [ 0.0030967900000000, -0.0001198500000000, 0.0090904800000000 ] - [ -0.0032751200000000, -0.0000514600000000, -0.0031589500000000 ] - [ 0.0003211100000000, 0.0002504700000000, -0.0000910500000000 ] - [ 0.0001472200000000, 0.0001358800000000, -0.0001331800000000 ] - [ 0.0503036800000000, -0.0102492600000000, -0.0086917600000000 ] - [ -0.0153117400000000, -0.0015370500000000, -0.0042361400000000 ] - [ 0.0002058800000000, 0.0000812500000000, -0.0001555000000000 ] - [ 0.0000545500000000, 0.0003401300000000, -0.0001503300000000 ] - [ -0.0002175200000000, 0.0005691900000000, 0.0005016600000000 ] - [ -0.0000847800000000, -0.0003244200000000, -0.0000993200000000 ] - [ -0.0002426700000000, -0.0007700700000000, 0.0001105000000000 ] - [ -0.0000581400000000, 0.0015506000000000, 0.0001265900000000 ] - [ -0.0012139300000000, 0.0018331200000000, 0.0014909600000000 ] - [ 0.0000853600000000, -0.0011242600000000, -0.0007855000000000 ] - [ -0.0004952300000000, -0.0002800100000000, 0.0001132200000000 ] - [ 0.0001120500000000, 0.0006829600000000, 0.0004217500000000 ] - [ 0.0001725100000000, -0.0001725900000000, 0.0000316200000000 ] - [ 0.0002877200000000, -0.0004720400000000, 0.0000565800000000 ] - [ -0.0021599700000000, -0.0021230000000000, 0.0020510300000000 ] - [ -0.0000392200000000, 0.0031637600000000, -0.0054947300000000 ] - [ -0.0004190100000000, 0.0002259900000000, 0.0000227700000000 ] - [ 0.0000334900000000, -0.0000969400000000, 0.0002043100000000 ] - [ -0.0025517500000000, 0.0003230600000000, -0.0010405100000000 ] - [ 0.0018176200000000, 0.0028885900000000, 0.0019967000000000 ] - [ -0.0009019500000000, 0.0000322500000000, 0.0004878900000000 ] - [ 0.0006181100000000, -0.0010494500000000, 0.0001798200000000 ] - [ -0.0002492000000000, -0.0004769100000000, 0.0002508000000000 ] - [ 0.0002475500000000, 0.0001052500000000, 0.0000692900000000 ] - [ -0.0001173800000000, 0.0001567600000000, -0.0000788900000000 ] - [ 0.0000213100000000, -0.0002197400000000, -0.0002150600000000 ] - [ -0.0076433000000000, -0.0042803200000000, -0.0006642000000000 ] - [ 0.0178569400000000, -0.0119121900000000, 0.0004581200000000 ] - [ -0.0012602900000000, -0.0000151600000000, -0.0001685100000000 ] - [ 0.0003680200000000, 0.0007776200000000, 0.0038233000000000 ] - [ -0.0000880200000000, 0.0000067600000000, -0.0001423900000000 ] - [ 0.0001719900000000, -0.0000017400000000, -0.0001351700000000 ] - [ -0.0014360300000000, 0.0014329900000000, -0.0004395500000000 ] - [ 0.0003681000000000, -0.0019535000000000, 0.0003329800000000 ] - [ -0.0016382900000000, -0.0014371900000000, 0.0000600500000000 ] - [ 0.0019311900000000, 0.0027440800000000, 0.0006739900000000 ] - [ -0.0090702200000000, 0.0014629200000000, 0.0042275300000000 ] - [ 0.0115534100000000, -0.0017181800000000, 0.0013585500000000 ] - [ 0.0000776800000000, -0.0000197300000000, 0.0001486300000000 ] - [ 0.0003258100000000, -0.0001257100000000, 0.0000735700000000 ] - [ -0.0035890400000000, -0.0006189600000000, -0.0008645000000000 ] - [ 0.0188619000000000, 0.0065483100000000, -0.0070173400000000 ] - [ -0.0003532800000000, 0.0003034500000000, 0.0000653500000000 ] - [ -0.0000887900000000, 0.0003732100000000, 0.0000128600000000 ] - [ -0.0012782900000000, 0.0003625700000000, 0.0000345900000000 ] - [ 0.0023607300000000, -0.0025758800000000, 0.0008334200000000 ] - [ -0.0002868600000000, -0.0000731200000000, 0.0000035500000000 ] - [ 0.0008225800000000, -0.0002207100000000, 0.0003187800000000 ] - [ -0.0041319000000000, 0.0005318500000000, -0.0010835700000000 ] - [ 0.0120332300000000, 0.0062107300000000, 0.0032313600000000 ] - [ -0.0003549400000000, -0.0004264300000000, 0.0001276700000000 ] - [ 0.0007668000000000, 0.0000379700000000, 0.0001498400000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1543272100000000, -0.0070871500000000, -0.0091433600000000 ] - [ -0.0155625900000000, 0.0003968200000000, 0.0003468000000000 ] - [ 0.0003643700000000, -0.0002367900000000, -0.0001360200000000 ] - [ -0.0002511500000000, -0.0002416600000000, -0.0002576100000000 ] - [ 0.0106622300000000, -0.0004310100000000, -0.0013271900000000 ] - [ -0.0057801600000000, 0.0000324900000000, 0.0011044100000000 ] - [ 0.0003998400000000, -0.0000226500000000, -0.0001778000000000 ] - [ -0.0004122500000000, -0.0000020100000000, -0.0001831800000000 ] - [ 0.0000388400000000, 0.0010205500000000, -0.0001776700000000 ] - [ -0.0003978400000000, -0.0008031200000000, 0.0000957700000000 ] - [ -0.0042759900000000, -0.0112528400000000, -0.0058907400000000 ] - [ -0.0075450400000000, 0.0080881300000000, 0.0047214000000000 ] - [ -0.0000325500000000, 0.0005680600000000, -0.0001406600000000 ] - [ -0.0000932300000000, -0.0001102900000000, -0.0002658200000000 ] - [ -0.0004306300000000, -0.0015083500000000, 0.0023107100000000 ] - [ -0.0024367100000000, 0.0019368900000000, -0.0020739900000000 ] - [ -0.0065120800000000, 0.0183871400000000, 0.0025582900000000 ] - [ -0.0064882000000000, -0.0132761100000000, -0.0022804400000000 ] - [ -0.0000603400000000, -0.0004996700000000, 0.0002228600000000 ] - [ -0.0000574600000000, 0.0009878300000000, 0.0002184100000000 ] - [ -0.0021862700000000, 0.0012515400000000, -0.0047646600000000 ] - [ -0.0048506200000000, -0.0045851800000000, 0.0050234500000000 ] - [ -0.0001627500000000, -0.0001565200000000, 0.0001298300000000 ] - [ 0.0000772700000000, 0.0002610800000000, 0.0001805700000000 ] - [ -0.0015834300000000, 0.0004567600000000, 0.0002805700000000 ] - [ 0.0016992300000000, -0.0006662200000000, -0.0001970400000000 ] - [ -0.0054899800000000, -0.0010424600000000, 0.0002838600000000 ] - [ 0.0122738300000000, 0.0019733900000000, -0.0008324500000000 ] - [ -0.0013246200000000, -0.0000890400000000, 0.0001623900000000 ] - [ 0.0016858600000000, -0.0009359400000000, 0.0002503000000000 ] - [ -0.0013261500000000, -0.0003747300000000, 0.0004324600000000 ] - [ 0.0016898300000000, -0.0002604600000000, -0.0000562200000000 ] - [ 0.0133541900000000, -0.0009255200000000, 0.0047910100000000 ] - [ -0.0049638000000000, -0.0003277400000000, -0.0009250800000000 ] - [ 0.0032136400000000, -0.0004396900000000, 0.0007460200000000 ] - [ -0.0022590200000000, 0.0001690200000000, -0.0005172500000000 ] - [ 0.0002265700000000, 0.0021956600000000, 0.0027942200000000 ] - [ -0.0009762900000000, -0.0018601000000000, -0.0011241600000000 ] - [ 0.0003982100000000, -0.0008360300000000, 0.0004339100000000 ] - [ -0.0006864300000000, 0.0014051800000000, 0.0000632300000000 ] - [ -0.0292891700000000, -0.0199137900000000, 0.0293849400000000 ] - [ -0.0294368900000000, 0.0119267600000000, -0.0306086100000000 ] - [ 0.0000741300000000, 0.0002502100000000, -0.0001439500000000 ] - [ -0.0000329600000000, 0.0000009400000000, -0.0001667900000000 ] - [ -0.0004603300000000, -0.0001096700000000, -0.0001311800000000 ] - [ 0.0004423100000000, -0.0000732800000000, -0.0001810400000000 ] - [ -0.0058850800000000, -0.0010804500000000, -0.0007590400000000 ] - [ 0.0223415400000000, 0.0145708600000000, 0.0043387000000000 ] - [ -0.0003578500000000, -0.0002295300000000, -0.0001384300000000 ] - [ 0.0000579000000000, -0.0001912900000000, -0.0001268700000000 ] - [ -0.0026383200000000, 0.0003656000000000, 0.0011574800000000 ] - [ 0.0019050900000000, -0.0003869300000000, 0.0001823600000000 ] - [ -0.0004368600000000, -0.0004043400000000, -0.0000902700000000 ] - [ 0.0000061400000000, -0.0000290600000000, -0.0001895500000000 ] - [ -0.0162330300000000, -0.0087372900000000, -0.0010914800000000 ] - [ 0.0032525500000000, 0.0006546900000000, -0.0014024700000000 ] - [ -0.0011382500000000, -0.0010969600000000, 0.0007227900000000 ] - [ 0.0009091000000000, 0.0006737800000000, -0.0003005700000000 ] - [ -0.0013270400000000, 0.0019618100000000, 0.0005234100000000 ] - [ 0.0020321200000000, -0.0009906000000000, -0.0007274000000000 ] - [ -0.0012546900000000, -0.0010688600000000, -0.0003018700000000 ] - [ 0.0006607400000000, 0.0006625200000000, -0.0001431200000000 ] - [ -0.0013501800000000, 0.0003260500000000, 0.0004713300000000 ] - [ 0.0007271300000000, -0.0002503100000000, -0.0004231700000000 ] - [ -0.0042559400000000, -0.0012247600000000, 0.0002015500000000 ] - [ 0.0024032800000000, 0.0001433400000000, -0.0001302000000000 ] - [ -0.0001111100000000, 0.0002225800000000, -0.0001376200000000 ] - [ 0.0000895700000000, 0.0002052400000000, -0.0001561800000000 ] - [ -0.0033996800000000, -0.0006185000000000, -0.0000604900000000 ] - [ 0.0017985200000000, 0.0009687300000000, -0.0001410200000000 ] - [ -0.0016535900000000, 0.0016853200000000, 0.0001205300000000 ] - [ 0.0012267300000000, -0.0009833800000000, 0.0004326300000000 ] - [ -0.0012060100000000, 0.0003123900000000, -0.0002214700000000 ] - [ 0.0013748700000000, 0.0005053200000000, -0.0002660100000000 ] - [ -0.0001392400000000, 0.0001307300000000, 0.0000994200000000 ] - [ 0.0002548100000000, -0.0001962500000000, 0.0001777700000000 ] - [ -0.0002128700000000, -0.0002165900000000, -0.0002102600000000 ] - [ 0.0002558300000000, -0.0002222200000000, -0.0000906800000000 ] - [ -0.0069707200000000, 0.0099658900000000, -0.0029467000000000 ] - [ 0.0068171500000000, -0.0035005800000000, 0.0002297000000000 ] - [ -0.0042199100000000, -0.0094201600000000, 0.0028586300000000 ] - [ 0.0035020100000000, 0.0020361600000000, -0.0000824900000000 ] - [ 0.0001975500000000, 0.0005197900000000, 0.0000435300000000 ] - [ 0.0003049100000000, -0.0001894000000000, -0.0001832900000000 ] - [ -0.0015236700000000, -0.0023360700000000, -0.0034828500000000 ] - [ 0.0011099200000000, 0.0004652600000000, 0.0014953000000000 ] - [ -0.0003632200000000, -0.0001713700000000, -0.0001343100000000 ] - [ -0.0000939800000000, -0.0004663600000000, 0.0000387700000000 ] - [ -0.0026115000000000, 0.0004854100000000, -0.0092586700000000 ] - [ 0.0037115800000000, 0.0004264600000000, 0.0029399700000000 ] - [ 0.0001404500000000, 0.0001275900000000, -0.0001447500000000 ] - [ 0.0003120700000000, 0.0002407200000000, -0.0001023800000000 ] - [ -0.0472225200000000, 0.0100115900000000, 0.0074832300000000 ] - [ 0.0156820000000000, 0.0019839400000000, 0.0040182000000000 ] - [ 0.0000601600000000, 0.0003528800000000, -0.0001633100000000 ] - [ 0.0002087700000000, 0.0000941000000000, -0.0001674700000000 ] - [ -0.0000442900000000, -0.0001298400000000, -0.0001812200000000 ] - [ -0.0001832400000000, 0.0007574300000000, 0.0004178100000000 ] - [ -0.0000202400000000, 0.0012023800000000, 0.0002084200000000 ] - [ -0.0002096400000000, -0.0011098700000000, 0.0001949800000000 ] - [ 0.0007515100000000, -0.0014440700000000, -0.0012426200000000 ] - [ -0.0005565000000000, 0.0015017400000000, 0.0010149300000000 ] - [ 0.0000389700000000, 0.0006524300000000, 0.0001251000000000 ] - [ -0.0005709700000000, -0.0003050900000000, -0.0001841300000000 ] - [ 0.0002713300000000, -0.0005070200000000, 0.0000551500000000 ] - [ 0.0001531400000000, -0.0002112000000000, 0.0000283800000000 ] - [ 0.0026059200000000, 0.0014312300000000, -0.0019500100000000 ] - [ 0.0004816900000000, -0.0038362600000000, 0.0055769500000000 ] - [ 0.0000119700000000, -0.0000836200000000, 0.0001982600000000 ] - [ -0.0004408900000000, 0.0002362200000000, 0.0000171800000000 ] - [ 0.0021489600000000, -0.0001852400000000, 0.0012537900000000 ] - [ -0.0022553200000000, -0.0027148600000000, -0.0017803900000000 ] - [ 0.0008800100000000, -0.0004622700000000, -0.0001775200000000 ] - [ -0.0006436000000000, 0.0006088000000000, 0.0001330300000000 ] - [ 0.0002239200000000, 0.0000376500000000, 0.0000579600000000 ] - [ -0.0002728200000000, -0.0005417600000000, 0.0002391900000000 ] - [ 0.0000354500000000, -0.0001600000000000, -0.0001974600000000 ] - [ -0.0001053100000000, 0.0002112200000000, -0.0000615100000000 ] - [ 0.0075282700000000, 0.0042261500000000, 0.0004043500000000 ] - [ -0.0186522400000000, 0.0128563000000000, -0.0010004100000000 ] - [ 0.0013444700000000, 0.0000186400000000, -0.0001109300000000 ] - [ -0.0002941600000000, -0.0007598800000000, -0.0040482700000000 ] - [ 0.0001709200000000, -0.0000062500000000, -0.0001325200000000 ] - [ -0.0000884200000000, 0.0000016300000000, -0.0001397700000000 ] - [ 0.0014590500000000, -0.0009831300000000, 0.0007415400000000 ] - [ -0.0003664900000000, 0.0023360600000000, -0.0000225100000000 ] - [ 0.0016610800000000, 0.0018620000000000, 0.0002431500000000 ] - [ -0.0019048800000000, -0.0023077800000000, -0.0003677000000000 ] - [ 0.0094626200000000, -0.0016009500000000, -0.0039882000000000 ] - [ -0.0113292000000000, 0.0015199800000000, -0.0015019300000000 ] - [ 0.0003307900000000, -0.0001241700000000, 0.0000710100000000 ] - [ 0.0000834400000000, -0.0000202400000000, 0.0001451800000000 ] - [ 0.0031295200000000, 0.0012976000000000, 0.0009153000000000 ] - [ -0.0196248900000000, -0.0059966000000000, 0.0077758700000000 ] - [ -0.0000909500000000, 0.0003737900000000, 0.0000200700000000 ] - [ -0.0003542500000000, 0.0003050000000000, 0.0000731900000000 ] - [ 0.0017399100000000, -0.0007360100000000, 0.0001951800000000 ] - [ -0.0019015400000000, 0.0021776100000000, -0.0005670500000000 ] - [ 0.0007475600000000, -0.0003086500000000, 0.0002303900000000 ] - [ -0.0003621700000000, -0.0001578200000000, -0.0000832800000000 ] - [ 0.0043804000000000, -0.0009415100000000, 0.0013898800000000 ] - [ -0.0117855100000000, -0.0068148000000000, -0.0029409900000000 ] - [ 0.0006184400000000, -0.0000159400000000, 0.0001913200000000 ] - [ -0.0005016400000000, -0.0004769300000000, 0.0001674200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0073220100000000, -0.1504685700000000, -0.0094331700000000 ] - [ -0.0006024500000000, -0.0072800200000000, -0.0003773800000000 ] - [ 0.0000501600000000, 0.0036871900000000, -0.0000962800000000 ] - [ 0.0000547300000000, 0.0029666700000000, -0.0000889500000000 ] - [ -0.0011171500000000, -0.0065967400000000, 0.0039971700000000 ] - [ 0.0001980400000000, -0.0044374700000000, 0.0002381800000000 ] - [ -0.0001910100000000, 0.0034184900000000, -0.0001042000000000 ] - [ -0.0001042600000000, 0.0030138900000000, -0.0001433200000000 ] - [ -0.0021289000000000, 0.0049798400000000, -0.0009163900000000 ] - [ 0.0022345500000000, 0.0044000000000000, -0.0012772000000000 ] - [ 0.0125053700000000, 0.0098570700000000, 0.0037523300000000 ] - [ -0.0091476600000000, 0.0047677600000000, 0.0045007500000000 ] - [ -0.0003772200000000, 0.0028075300000000, -0.0004021700000000 ] - [ 0.0002998900000000, 0.0027575000000000, -0.0002841800000000 ] - [ 0.0016950200000000, -0.0019962600000000, 0.0000195800000000 ] - [ -0.0017473600000000, -0.0032021900000000, -0.0002688000000000 ] - [ -0.0133390200000000, 0.0028207500000000, 0.0056833400000000 ] - [ 0.0181986300000000, 0.0027876500000000, 0.0071416200000000 ] - [ 0.0007990100000000, 0.0039582600000000, 0.0000198700000000 ] - [ -0.0006944600000000, 0.0039601900000000, 0.0000330800000000 ] - [ -0.0039216300000000, -0.0077105900000000, -0.0064657500000000 ] - [ 0.0029005800000000, -0.0063371000000000, -0.0032061800000000 ] - [ 0.0004026500000000, 0.0033715000000000, 0.0006634200000000 ] - [ -0.0002346900000000, 0.0034359200000000, 0.0005683200000000 ] - [ 0.0000309800000000, 0.0023309100000000, 0.0006419500000000 ] - [ 0.0007031500000000, 0.0055964500000000, 0.0033216200000000 ] - [ 0.0001783500000000, 0.0014987800000000, -0.0004792200000000 ] - [ -0.0025254900000000, 0.0143533000000000, -0.0087800200000000 ] - [ -0.0001874200000000, 0.0006754800000000, -0.0002218700000000 ] - [ -0.0000658400000000, 0.0022633600000000, -0.0028748100000000 ] - [ 0.0001004500000000, 0.0006655800000000, 0.0004559900000000 ] - [ -0.0007528800000000, 0.0022559900000000, 0.0008484200000000 ] - [ -0.0033017400000000, 0.0335228700000000, -0.0172960800000000 ] - [ 0.0004696800000000, -0.0005870300000000, -0.0006116300000000 ] - [ 0.0000622500000000, 0.0064468200000000, 0.0012793100000000 ] - [ 0.0001599000000000, 0.0035612800000000, 0.0006906300000000 ] - [ -0.0017117100000000, 0.0010739200000000, 0.0027019400000000 ] - [ 0.0017296200000000, -0.0005080500000000, 0.0027248400000000 ] - [ 0.0014752800000000, 0.0037799500000000, -0.0008681300000000 ] - [ -0.0009957000000000, 0.0029955700000000, -0.0011381600000000 ] - [ 0.0161420900000000, -0.0241695600000000, -0.0051694400000000 ] - [ -0.0158477700000000, -0.0233642400000000, -0.0205503100000000 ] - [ -0.0005589500000000, 0.0043552800000000, 0.0002758900000000 ] - [ 0.0004295700000000, 0.0044352100000000, 0.0001344200000000 ] - [ -0.0002312100000000, 0.0034760100000000, -0.0005852000000000 ] - [ 0.0000080000000000, 0.0043190300000000, -0.0005499300000000 ] - [ 0.0010339500000000, -0.0064232700000000, 0.0012280100000000 ] - [ -0.0128870700000000, -0.0165331900000000, 0.0222127400000000 ] - [ -0.0000275300000000, -0.0024067100000000, -0.0002029400000000 ] - [ -0.0000897300000000, -0.0016317200000000, -0.0002295900000000 ] - [ -0.0000345800000000, -0.0001782600000000, -0.0032556000000000 ] - [ -0.0002779000000000, 0.0009882600000000, -0.0003773800000000 ] - [ -0.0009535600000000, -0.0022075200000000, 0.0000427800000000 ] - [ -0.0011733900000000, -0.0018709800000000, 0.0002491200000000 ] - [ 0.0098686100000000, 0.0218985200000000, 0.0075636100000000 ] - [ 0.0013931000000000, 0.0023933700000000, -0.0009117400000000 ] - [ 0.0007069200000000, -0.0031556700000000, 0.0018562900000000 ] - [ 0.0001100800000000, -0.0001835300000000, 0.0005285900000000 ] - [ 0.0008820800000000, -0.0023421300000000, -0.0011193200000000 ] - [ 0.0016346700000000, -0.0012061000000000, -0.0009720900000000 ] - [ 0.0003032100000000, -0.0005622900000000, -0.0005948900000000 ] - [ -0.0006900000000000, -0.0004485400000000, -0.0003853000000000 ] - [ -0.0018133900000000, -0.0022175300000000, 0.0020402600000000 ] - [ -0.0002076500000000, -0.0007477100000000, 0.0004499900000000 ] - [ -0.0008754400000000, 0.0065961100000000, -0.0030983500000000 ] - [ -0.0008047300000000, 0.0029857600000000, -0.0003804600000000 ] - [ 0.0004824400000000, -0.0016621100000000, 0.0000204500000000 ] - [ 0.0004075300000000, -0.0014397000000000, -0.0000166800000000 ] - [ 0.0035352500000000, -0.0063174400000000, -0.0013142800000000 ] - [ -0.0015824900000000, -0.0015245600000000, 0.0006358800000000 ] - [ -0.0005804600000000, -0.0034675900000000, -0.0004453800000000 ] - [ 0.0001920400000000, -0.0015627100000000, 0.0001963000000000 ] - [ 0.0002899900000000, 0.0011240000000000, 0.0001006900000000 ] - [ -0.0001785500000000, 0.0008994000000000, -0.0002662900000000 ] - [ -0.0003119000000000, -0.0017923700000000, 0.0003396700000000 ] - [ 0.0000591600000000, -0.0013237400000000, 0.0003141000000000 ] - [ 0.0008162800000000, -0.0028361200000000, -0.0005428500000000 ] - [ 0.0001476800000000, -0.0019203500000000, -0.0004275200000000 ] - [ -0.0105202500000000, 0.0075010600000000, 0.0068455200000000 ] - [ 0.0060153700000000, 0.0012454700000000, 0.0011939400000000 ] - [ 0.0113393800000000, -0.0056294100000000, 0.0089380400000000 ] - [ -0.0012502200000000, 0.0010292100000000, 0.0011548300000000 ] - [ -0.0006054700000000, -0.0020987700000000, -0.0007006100000000 ] - [ -0.0000402000000000, -0.0013080700000000, -0.0005445100000000 ] - [ 0.0008388600000000, -0.0003591300000000, -0.0036357000000000 ] - [ -0.0019060400000000, 0.0012695500000000, -0.0025823600000000 ] - [ 0.0001864800000000, -0.0020126900000000, 0.0000860000000000 ] - [ 0.0006150900000000, -0.0018632300000000, 0.0002030500000000 ] - [ 0.0004681900000000, 0.0056818100000000, 0.0014886300000000 ] - [ 0.0007027100000000, 0.0036579100000000, -0.0001384300000000 ] - [ -0.0002712800000000, -0.0013848900000000, -0.0003079400000000 ] - [ -0.0004312300000000, -0.0013504900000000, -0.0002400000000000 ] - [ -0.0086010600000000, 0.0186179500000000, -0.0033229500000000 ] - [ -0.0009956500000000, 0.0103937600000000, -0.0012528200000000 ] - [ 0.0002624800000000, -0.0022787200000000, 0.0001559000000000 ] - [ 0.0001217100000000, -0.0021650000000000, 0.0001155200000000 ] - [ 0.0002369900000000, -0.0005336700000000, -0.0000361300000000 ] - [ -0.0008693900000000, -0.0006443300000000, 0.0001334200000000 ] - [ -0.0007020600000000, -0.0003464700000000, 0.0003762700000000 ] - [ 0.0004508600000000, -0.0003948700000000, 0.0001997700000000 ] - [ 0.0007488700000000, -0.0008736100000000, -0.0008159600000000 ] - [ -0.0015825500000000, -0.0007164300000000, -0.0025141100000000 ] - [ -0.0000875200000000, -0.0010299200000000, 0.0005103900000000 ] - [ 0.0017413800000000, -0.0019790400000000, 0.0013909100000000 ] - [ -0.0001131200000000, -0.0016517200000000, -0.0000826000000000 ] - [ -0.0007287000000000, -0.0021339400000000, -0.0003233000000000 ] - [ -0.0022597100000000, 0.0006947700000000, 0.0023216500000000 ] - [ 0.0024923900000000, 0.0019521800000000, 0.0060900700000000 ] - [ 0.0006158300000000, -0.0014075200000000, 0.0009721800000000 ] - [ 0.0001197400000000, -0.0016559800000000, 0.0008345500000000 ] - [ -0.0032295900000000, 0.0021289600000000, -0.0019467300000000 ] - [ 0.0020278200000000, 0.0024177000000000, -0.0034002100000000 ] - [ 0.0012395900000000, 0.0007468800000000, -0.0000266700000000 ] - [ 0.0001284100000000, 0.0013082600000000, 0.0003340300000000 ] - [ -0.0005696000000000, -0.0016007500000000, 0.0003738400000000 ] - [ -0.0002380700000000, -0.0018329000000000, 0.0004055400000000 ] - [ 0.0004504200000000, -0.0018087700000000, -0.0005237300000000 ] - [ -0.0001228400000000, -0.0025048500000000, -0.0005198300000000 ] - [ -0.0038661000000000, 0.0044939400000000, -0.0004635300000000 ] - [ -0.0094239800000000, 0.0326484300000000, -0.0004926800000000 ] - [ -0.0003874100000000, 0.0033982200000000, -0.0000852900000000 ] - [ -0.0000164300000000, 0.0035142000000000, 0.0006182200000000 ] - [ 0.0002213600000000, -0.0016993300000000, 0.0000292600000000 ] - [ 0.0001595900000000, -0.0018314200000000, 0.0000731200000000 ] - [ 0.0008655500000000, -0.0003155600000000, 0.0001730800000000 ] - [ -0.0038055800000000, -0.0074661600000000, -0.0000966500000000 ] - [ -0.0014677500000000, -0.0017506500000000, 0.0002801500000000 ] - [ 0.0003107500000000, -0.0033826500000000, -0.0006961400000000 ] - [ 0.0013075300000000, 0.0027127300000000, -0.0005823800000000 ] - [ -0.0044242600000000, 0.0140868400000000, 0.0003289600000000 ] - [ 0.0005985400000000, -0.0015597900000000, -0.0002067000000000 ] - [ 0.0006975100000000, -0.0017845900000000, -0.0002828900000000 ] - [ 0.0009380800000000, 0.0035326900000000, 0.0001642000000000 ] - [ 0.0077834800000000, 0.0158645900000000, -0.0047298000000000 ] - [ -0.0008204100000000, -0.0012609000000000, 0.0000225600000000 ] - [ -0.0007973600000000, -0.0014102700000000, -0.0000045900000000 ] - [ 0.0010350400000000, 0.0001636500000000, 0.0009343500000000 ] - [ -0.0029331700000000, -0.0015028900000000, 0.0079067900000000 ] - [ 0.0007232500000000, -0.0015299100000000, -0.0002783100000000 ] - [ 0.0012152600000000, -0.0021600900000000, -0.0005839200000000 ] - [ 0.0014164800000000, 0.0022703900000000, 0.0003108500000000 ] - [ 0.0070853100000000, 0.0386559200000000, 0.0048408600000000 ] - [ -0.0000512100000000, -0.0023910300000000, 0.0003180400000000 ] - [ 0.0002178600000000, -0.0032383400000000, 0.0005512700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0060147000000000, 0.1508839700000000, 0.0090987300000000 ] - [ 0.0006664200000000, 0.0068201700000000, -0.0000543400000000 ] - [ 0.0000410600000000, -0.0041682600000000, -0.0003192700000000 ] - [ 0.0000363300000000, -0.0034460900000000, -0.0003264100000000 ] - [ 0.0010595600000000, 0.0066110000000000, -0.0043485200000000 ] - [ -0.0002317600000000, 0.0044083000000000, -0.0006066500000000 ] - [ 0.0001616400000000, -0.0034915800000000, -0.0002830700000000 ] - [ 0.0000749600000000, -0.0030859900000000, -0.0002443800000000 ] - [ 0.0021768200000000, -0.0049386600000000, 0.0005367400000000 ] - [ -0.0022213900000000, -0.0043557200000000, 0.0008981100000000 ] - [ -0.0123933400000000, -0.0097741200000000, -0.0041032800000000 ] - [ 0.0091290600000000, -0.0046995200000000, -0.0048637100000000 ] - [ 0.0002887600000000, -0.0023419000000000, -0.0000124100000000 ] - [ -0.0003943400000000, -0.0022921800000000, -0.0001313900000000 ] - [ -0.0018006100000000, 0.0024473900000000, -0.0004352000000000 ] - [ 0.0016661000000000, 0.0036461900000000, -0.0001466100000000 ] - [ 0.0135704000000000, -0.0022911200000000, -0.0053213300000000 ] - [ -0.0182860200000000, -0.0023241400000000, -0.0067969000000000 ] - [ -0.0007042500000000, -0.0034988000000000, 0.0003938700000000 ] - [ 0.0007818600000000, -0.0034968800000000, 0.0003801200000000 ] - [ 0.0039067300000000, 0.0078364900000000, 0.0068869200000000 ] - [ -0.0029147500000000, 0.0064936800000000, 0.0035925900000000 ] - [ -0.0004315500000000, -0.0033196300000000, -0.0002767700000000 ] - [ 0.0002025100000000, -0.0033834200000000, -0.0001814600000000 ] - [ -0.0000023700000000, -0.0023935200000000, -0.0002604300000000 ] - [ -0.0006787400000000, -0.0056891300000000, -0.0029616600000000 ] - [ -0.0001584500000000, -0.0015771300000000, 0.0008655700000000 ] - [ 0.0025529000000000, -0.0143079700000000, 0.0090728400000000 ] - [ 0.0000979100000000, -0.0011381500000000, 0.0006412100000000 ] - [ -0.0000233000000000, -0.0027388900000000, 0.0033166800000000 ] - [ -0.0001933200000000, -0.0011481000000000, -0.0000391200000000 ] - [ 0.0006613600000000, -0.0027462100000000, -0.0004299600000000 ] - [ 0.0034201500000000, -0.0342309900000000, 0.0178043900000000 ] - [ -0.0004160600000000, 0.0003588000000000, 0.0008885400000000 ] - [ 0.0000054400000000, -0.0066918100000000, -0.0009933600000000 ] - [ -0.0001044600000000, -0.0038216800000000, -0.0004144000000000 ] - [ 0.0016615600000000, -0.0008147100000000, -0.0024381500000000 ] - [ -0.0018017400000000, 0.0007846400000000, -0.0024747200000000 ] - [ -0.0015302100000000, -0.0035486700000000, 0.0011431500000000 ] - [ 0.0009329600000000, -0.0027641700000000, 0.0014080300000000 ] - [ -0.0161284200000000, 0.0242064800000000, 0.0049761300000000 ] - [ 0.0159528400000000, 0.0234152400000000, 0.0201886500000000 ] - [ 0.0006249000000000, -0.0041212000000000, -0.0005570200000000 ] - [ -0.0003744300000000, -0.0042011800000000, -0.0004131900000000 ] - [ 0.0001729300000000, -0.0037321400000000, 0.0003127400000000 ] - [ -0.0000684900000000, -0.0045800100000000, 0.0002781600000000 ] - [ -0.0010943700000000, 0.0061773800000000, -0.0015081100000000 ] - [ 0.0127939300000000, 0.0161198800000000, -0.0225662900000000 ] - [ -0.0002374400000000, 0.0019769800000000, -0.0001152600000000 ] - [ -0.0001745300000000, 0.0011962300000000, -0.0000886500000000 ] - [ -0.0002368800000000, -0.0002344700000000, 0.0029579900000000 ] - [ 0.0000121700000000, -0.0014200300000000, 0.0000594500000000 ] - [ 0.0004960900000000, 0.0018360000000000, -0.0002806800000000 ] - [ 0.0007173300000000, 0.0014972000000000, -0.0004874200000000 ] - [ -0.0099187500000000, -0.0217147400000000, -0.0070322200000000 ] - [ -0.0018505100000000, -0.0027654300000000, 0.0006742200000000 ] - [ -0.0002698000000000, 0.0038550800000000, -0.0019578400000000 ] - [ 0.0003357500000000, 0.0008612200000000, -0.0006185600000000 ] - [ -0.0004443600000000, 0.0030259700000000, 0.0010263400000000 ] - [ -0.0011894300000000, 0.0018893700000000, 0.0008820300000000 ] - [ -0.0007199000000000, 0.0004133700000000, 0.0003797500000000 ] - [ 0.0002839700000000, 0.0003008900000000, 0.0001694500000000 ] - [ 0.0014002900000000, 0.0020788300000000, -0.0022531800000000 ] - [ -0.0001975000000000, 0.0006120000000000, -0.0006708400000000 ] - [ 0.0008827200000000, -0.0061771200000000, 0.0027984900000000 ] - [ 0.0007784700000000, -0.0025541900000000, 0.0000718900000000 ] - [ -0.0005089000000000, 0.0021040600000000, -0.0003290600000000 ] - [ -0.0004322100000000, 0.0018793700000000, -0.0002915100000000 ] - [ -0.0036483600000000, 0.0063559300000000, 0.0015915300000000 ] - [ 0.0015142000000000, 0.0015320500000000, -0.0003682000000000 ] - [ 0.0004891600000000, 0.0034698100000000, 0.0007215100000000 ] - [ -0.0002705100000000, 0.0015704200000000, 0.0000795200000000 ] - [ -0.0002067900000000, -0.0011444600000000, 0.0001671400000000 ] - [ 0.0002556400000000, -0.0009178800000000, 0.0005490500000000 ] - [ 0.0003946000000000, 0.0017975100000000, -0.0000656700000000 ] - [ 0.0000244500000000, 0.0013287800000000, -0.0000398700000000 ] - [ -0.0007966800000000, 0.0024123000000000, 0.0002383600000000 ] - [ -0.0001219100000000, 0.0014885400000000, 0.0001215300000000 ] - [ 0.0107366300000000, -0.0073691800000000, -0.0073016200000000 ] - [ -0.0059901700000000, -0.0016819100000000, -0.0014915200000000 ] - [ -0.0110665000000000, 0.0057628900000000, -0.0092723400000000 ] - [ 0.0016662900000000, -0.0009001800000000, -0.0013900000000000 ] - [ 0.0010147400000000, 0.0022467100000000, 0.0004815100000000 ] - [ 0.0004507700000000, 0.0014555500000000, 0.0003253500000000 ] - [ -0.0012923900000000, -0.0003356300000000, 0.0035753200000000 ] - [ 0.0014743900000000, -0.0019698400000000, 0.0025186100000000 ] - [ -0.0006320000000000, 0.0013382800000000, -0.0001718000000000 ] - [ -0.0010583100000000, 0.0011875200000000, -0.0002876600000000 ] - [ -0.0000027500000000, -0.0052789500000000, -0.0017564000000000 ] - [ -0.0002622200000000, -0.0032705500000000, -0.0001071700000000 ] - [ 0.0007327600000000, 0.0017684100000000, 0.0000738400000000 ] - [ 0.0008947400000000, 0.0017339000000000, 0.0000053700000000 ] - [ 0.0089237300000000, -0.0180951200000000, 0.0029162500000000 ] - [ 0.0012298500000000, -0.0099851400000000, 0.0009482000000000 ] - [ 0.0000004600000000, 0.0027229400000000, -0.0004743100000000 ] - [ 0.0001436700000000, 0.0026067400000000, -0.0004334500000000 ] - [ -0.0005037300000000, 0.0009660600000000, 0.0003535400000000 ] - [ 0.0006104900000000, 0.0010760700000000, 0.0001828900000000 ] - [ 0.0004373200000000, 0.0007950900000000, -0.0000562800000000 ] - [ -0.0007148500000000, 0.0008428000000000, 0.0001211600000000 ] - [ -0.0012115500000000, 0.0012493700000000, 0.0010560900000000 ] - [ 0.0011385200000000, 0.0010964800000000, 0.0027769100000000 ] - [ -0.0003753400000000, 0.0014164700000000, -0.0002739900000000 ] - [ -0.0021973500000000, 0.0023600100000000, -0.0011496400000000 ] - [ 0.0005558600000000, 0.0009736900000000, 0.0001704400000000 ] - [ 0.0011771400000000, 0.0014607500000000, 0.0004127400000000 ] - [ 0.0027087200000000, -0.0013630600000000, -0.0022381400000000 ] - [ -0.0020354300000000, -0.0026084400000000, -0.0059899200000000 ] - [ -0.0010287200000000, 0.0015549700000000, -0.0007580000000000 ] - [ -0.0005280200000000, 0.0018046700000000, -0.0006189900000000 ] - [ 0.0028289700000000, -0.0019830100000000, 0.0021645100000000 ] - [ -0.0024490400000000, -0.0022359900000000, 0.0036003800000000 ] - [ -0.0012725300000000, -0.0011929000000000, 0.0003330500000000 ] - [ -0.0001555300000000, -0.0017697600000000, -0.0000291700000000 ] - [ 0.0005463300000000, 0.0011719100000000, -0.0000664700000000 ] - [ 0.0002154700000000, 0.0014033300000000, -0.0000974200000000 ] - [ -0.0005366600000000, 0.0018115900000000, 0.0002513000000000 ] - [ 0.0000431500000000, 0.0025133500000000, 0.0002480600000000 ] - [ 0.0037911300000000, -0.0044599800000000, 0.0001945300000000 ] - [ 0.0083489600000000, -0.0315203300000000, -0.0000996700000000 ] - [ 0.0004693100000000, -0.0034074600000000, -0.0001921500000000 ] - [ 0.0000878800000000, -0.0035071400000000, -0.0008494800000000 ] - [ -0.0001398700000000, 0.0017053900000000, -0.0003044200000000 ] - [ -0.0000772200000000, 0.0018381000000000, -0.0003486900000000 ] - [ -0.0008461000000000, 0.0007433800000000, 0.0001370100000000 ] - [ 0.0038370200000000, 0.0079193400000000, 0.0004067900000000 ] - [ 0.0014947800000000, 0.0021958700000000, 0.0000295800000000 ] - [ -0.0002811500000000, 0.0038067700000000, 0.0010001200000000 ] - [ -0.0008439800000000, -0.0028650400000000, 0.0007671600000000 ] - [ 0.0047691600000000, -0.0142662100000000, -0.0001924100000000 ] - [ -0.0001921000000000, 0.0014217900000000, 0.0004282000000000 ] - [ -0.0002898900000000, 0.0016463300000000, 0.0005047900000000 ] - [ -0.0013799800000000, -0.0028617900000000, -0.0000676600000000 ] - [ -0.0082526200000000, -0.0151101500000000, 0.0048457200000000 ] - [ 0.0003789000000000, 0.0019448700000000, 0.0000624100000000 ] - [ 0.0003569800000000, 0.0020953100000000, 0.0000895000000000 ] - [ -0.0005798800000000, -0.0005485100000000, -0.0007030500000000 ] - [ 0.0034202700000000, 0.0011320600000000, -0.0077417000000000 ] - [ -0.0002648000000000, 0.0011567000000000, 0.0005142100000000 ] - [ -0.0007573500000000, 0.0017856800000000, 0.0008159200000000 ] - [ -0.0011528600000000, -0.0027317200000000, 0.0000101800000000 ] - [ -0.0075071300000000, -0.0417713400000000, -0.0046861900000000 ] - [ 0.0003159000000000, 0.0019625900000000, -0.0000016600000000 ] - [ 0.0000453000000000, 0.0028060000000000, -0.0002346400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0102886100000000, -0.0099407300000000, -0.1530933400000000 ] - [ -0.0005176400000000, -0.0003985700000000, -0.0041662600000000 ] - [ -0.0000260300000000, -0.0001201400000000, -0.0004056700000000 ] - [ 0.0000959300000000, -0.0001135700000000, -0.0003084900000000 ] - [ -0.0024907100000000, 0.0041922000000000, 0.0216575800000000 ] - [ 0.0005078300000000, 0.0012802300000000, 0.0034421900000000 ] - [ 0.0000112900000000, 0.0000541100000000, 0.0000635100000000 ] - [ 0.0000399900000000, -0.0000238300000000, -0.0000068700000000 ] - [ 0.0005465800000000, -0.0003750500000000, -0.0008389400000000 ] - [ -0.0000274200000000, 0.0000649500000000, -0.0007187900000000 ] - [ 0.0093463800000000, 0.0082465900000000, -0.0101927400000000 ] - [ -0.0025739500000000, 0.0017777800000000, -0.0073695800000000 ] - [ 0.0000221300000000, 0.0004296900000000, 0.0000429000000000 ] - [ -0.0001033900000000, 0.0003111100000000, -0.0000042800000000 ] - [ 0.0025030900000000, 0.0000277100000000, 0.0070183100000000 ] - [ -0.0019235200000000, 0.0003030300000000, 0.0076780100000000 ] - [ -0.0024620000000000, 0.0072450700000000, -0.0042320200000000 ] - [ 0.0024387300000000, 0.0057337000000000, -0.0042216200000000 ] - [ 0.0000559200000000, 0.0000620800000000, -0.0002358000000000 ] - [ 0.0000605600000000, 0.0000499600000000, -0.0002352700000000 ] - [ 0.0062751100000000, -0.0039915700000000, 0.0041201600000000 ] - [ -0.0097485500000000, -0.0085376400000000, 0.0083527900000000 ] - [ 0.0001945700000000, 0.0003194400000000, 0.0003666800000000 ] - [ -0.0003019800000000, 0.0003786300000000, 0.0002888600000000 ] - [ -0.0001665400000000, 0.0006515200000000, 0.0000480000000000 ] - [ -0.0001759700000000, 0.0006491300000000, -0.0002359500000000 ] - [ -0.0004022400000000, -0.0023986900000000, 0.0001060000000000 ] - [ 0.0010267000000000, -0.0098372500000000, 0.0008105100000000 ] - [ -0.0002706800000000, -0.0004856500000000, 0.0007808100000000 ] - [ 0.0002167200000000, -0.0008804300000000, 0.0022799300000000 ] - [ 0.0000001700000000, 0.0002011700000000, 0.0007820900000000 ] - [ -0.0000895000000000, 0.0028742900000000, 0.0022865700000000 ] - [ -0.0040299400000000, -0.0084765500000000, -0.0066636100000000 ] - [ -0.0005937100000000, -0.0004372600000000, -0.0022880000000000 ] - [ -0.0006689900000000, 0.0015264400000000, -0.0025892900000000 ] - [ 0.0003551100000000, 0.0000580200000000, -0.0001418400000000 ] - [ -0.0008681400000000, 0.0025315900000000, 0.0034284600000000 ] - [ 0.0004229400000000, 0.0012003800000000, 0.0029971500000000 ] - [ -0.0000231700000000, -0.0005048300000000, 0.0012306400000000 ] - [ -0.0001503600000000, -0.0002752100000000, 0.0017793600000000 ] - [ -0.0222944500000000, -0.0080642000000000, 0.0085284700000000 ] - [ 0.0330804700000000, -0.0177524200000000, 0.0030192200000000 ] - [ 0.0001019500000000, 0.0003420600000000, -0.0002318600000000 ] - [ -0.0000136000000000, 0.0003239200000000, -0.0001223200000000 ] - [ 0.0000120100000000, -0.0000589400000000, -0.0001281700000000 ] - [ -0.0000782100000000, -0.0001862600000000, -0.0000553100000000 ] - [ 0.0005362300000000, -0.0004622700000000, 0.0002740500000000 ] - [ -0.0055451800000000, 0.0198433100000000, 0.0559593400000000 ] - [ -0.0001839600000000, -0.0001100400000000, -0.0003116300000000 ] - [ -0.0001530300000000, -0.0002600300000000, -0.0002219300000000 ] - [ -0.0012083700000000, -0.0029139400000000, -0.0051638100000000 ] - [ -0.0003459700000000, -0.0004963700000000, -0.0009054800000000 ] - [ -0.0002383900000000, -0.0000750700000000, -0.0000472400000000 ] - [ -0.0002851500000000, -0.0002313700000000, -0.0000470100000000 ] - [ 0.0032509400000000, 0.0071855700000000, 0.0226422000000000 ] - [ 0.0005820200000000, -0.0001191600000000, 0.0013499800000000 ] - [ 0.0000719200000000, 0.0019442500000000, -0.0001495800000000 ] - [ 0.0001742500000000, 0.0006689600000000, 0.0001680100000000 ] - [ 0.0003943800000000, -0.0026764100000000, 0.0004601400000000 ] - [ 0.0000414200000000, 0.0003467000000000, 0.0004402400000000 ] - [ -0.0006628300000000, -0.0008103100000000, -0.0007450600000000 ] - [ -0.0002987400000000, -0.0002473700000000, -0.0006353700000000 ] - [ 0.0000782500000000, 0.0005733600000000, -0.0018624200000000 ] - [ 0.0000753400000000, 0.0003901600000000, -0.0009572000000000 ] - [ -0.0042301800000000, 0.0029420900000000, -0.0107536400000000 ] - [ 0.0016233500000000, -0.0003394700000000, -0.0015719100000000 ] - [ -0.0000142100000000, 0.0001718400000000, -0.0002054700000000 ] - [ 0.0000623100000000, 0.0001320900000000, -0.0001845300000000 ] - [ -0.0000464800000000, 0.0001879900000000, 0.0017481600000000 ] - [ -0.0004233900000000, -0.0004659000000000, 0.0007512000000000 ] - [ 0.0002254700000000, 0.0006756900000000, 0.0020805600000000 ] - [ -0.0000251300000000, 0.0001978200000000, 0.0007981200000000 ] - [ 0.0001467300000000, -0.0001532900000000, -0.0025791200000000 ] - [ 0.0012821500000000, 0.0010069600000000, -0.0023195000000000 ] - [ -0.0002870500000000, -0.0002118500000000, -0.0003167200000000 ] - [ 0.0001308000000000, -0.0000604500000000, -0.0000442300000000 ] - [ 0.0000839000000000, -0.0003132300000000, -0.0000384900000000 ] - [ 0.0001140400000000, -0.0003874700000000, -0.0001072900000000 ] - [ 0.0030819200000000, 0.0048685100000000, 0.0080886700000000 ] - [ -0.0014086200000000, 0.0012313300000000, 0.0008142200000000 ] - [ -0.0020408700000000, 0.0078077800000000, 0.0028814600000000 ] - [ 0.0018388700000000, 0.0011641900000000, 0.0024340900000000 ] - [ -0.0000585400000000, -0.0003916300000000, 0.0003359700000000 ] - [ 0.0002153400000000, 0.0000612000000000, 0.0000801600000000 ] - [ 0.0017347700000000, -0.0035946800000000, -0.0026510100000000 ] - [ -0.0009529000000000, -0.0015985200000000, -0.0012479200000000 ] - [ -0.0003092400000000, -0.0002013500000000, -0.0001451400000000 ] - [ -0.0003955000000000, -0.0000900000000000, -0.0001361100000000 ] - [ 0.0040805800000000, 0.0020088000000000, -0.0071657000000000 ] - [ -0.0036170100000000, 0.0012546600000000, -0.0039115700000000 ] - [ 0.0001701100000000, 0.0001154900000000, -0.0001535900000000 ] - [ 0.0002039500000000, 0.0001530200000000, -0.0001829800000000 ] - [ -0.0075808600000000, -0.0005396300000000, 0.0091637600000000 ] - [ -0.0055411900000000, -0.0015880600000000, 0.0056482500000000 ] - [ 0.0000972100000000, 0.0001397700000000, -0.0000934200000000 ] - [ 0.0001176600000000, 0.0001690500000000, -0.0001247100000000 ] - [ -0.0000461600000000, 0.0000144000000000, -0.0002148700000000 ] - [ 0.0000148700000000, 0.0001722000000000, -0.0002574400000000 ] - [ -0.0001872500000000, -0.0000039600000000, -0.0003872100000000 ] - [ 0.0004473700000000, -0.0003616200000000, -0.0012520400000000 ] - [ 0.0006403400000000, -0.0007231500000000, -0.0000279700000000 ] - [ -0.0002395500000000, -0.0006694100000000, -0.0003405600000000 ] - [ -0.0005087400000000, 0.0008247200000000, -0.0001382300000000 ] - [ -0.0011340400000000, 0.0014564000000000, -0.0006044900000000 ] - [ 0.0001394000000000, -0.0005442100000000, 0.0000048800000000 ] - [ 0.0001860700000000, -0.0004903200000000, -0.0000102100000000 ] - [ 0.0016258900000000, 0.0011064600000000, -0.0016368300000000 ] - [ -0.0018209900000000, 0.0044831400000000, -0.0032821900000000 ] - [ -0.0002549200000000, 0.0001053800000000, 0.0000599500000000 ] - [ -0.0001127600000000, 0.0001344000000000, 0.0001163100000000 ] - [ -0.0021625200000000, -0.0002186900000000, -0.0009653700000000 ] - [ 0.0066008100000000, -0.0068892300000000, -0.0033080800000000 ] - [ 0.0000631900000000, -0.0001889700000000, -0.0013708300000000 ] - [ -0.0009452600000000, -0.0004979400000000, -0.0026977600000000 ] - [ -0.0000951500000000, -0.0002222400000000, -0.0000564700000000 ] - [ 0.0001115700000000, -0.0004355700000000, -0.0002380900000000 ] - [ -0.0001307500000000, -0.0000674700000000, -0.0000085600000000 ] - [ -0.0000234000000000, -0.0001293100000000, -0.0000732600000000 ] - [ 0.0025011000000000, 0.0022489500000000, 0.0018431800000000 ] - [ 0.0028983900000000, -0.0042194200000000, 0.0123660200000000 ] - [ -0.0005977700000000, 0.0001753300000000, -0.0015022800000000 ] - [ 0.0020214700000000, 0.0005433400000000, -0.0096612800000000 ] - [ 0.0000332300000000, -0.0000438200000000, -0.0002018000000000 ] - [ 0.0000568300000000, -0.0000404400000000, -0.0001984800000000 ] - [ -0.0000729500000000, -0.0001833400000000, 0.0008414700000000 ] - [ -0.0001455200000000, -0.0006472400000000, 0.0009048600000000 ] - [ -0.0012189400000000, -0.0004913100000000, 0.0008439600000000 ] - [ 0.0002791400000000, 0.0006187800000000, 0.0017343800000000 ] - [ 0.0025654600000000, -0.0004779000000000, -0.0010337700000000 ] - [ -0.0019322600000000, 0.0026038300000000, 0.0097538300000000 ] - [ 0.0002081100000000, -0.0001104000000000, 0.0001280700000000 ] - [ 0.0002645900000000, -0.0001218500000000, 0.0000941400000000 ] - [ -0.0014723600000000, 0.0003816100000000, 0.0013497900000000 ] - [ -0.0128941000000000, -0.0048228600000000, 0.0306424000000000 ] - [ -0.0002818800000000, 0.0002695800000000, 0.0000700400000000 ] - [ -0.0002256500000000, 0.0002605900000000, 0.0000834800000000 ] - [ -0.0007724600000000, 0.0005064200000000, 0.0005492600000000 ] - [ -0.0003138100000000, 0.0036717300000000, 0.0012045700000000 ] - [ 0.0001710500000000, -0.0002596500000000, 0.0001176100000000 ] - [ 0.0007678100000000, -0.0008510600000000, 0.0003835200000000 ] - [ 0.0011019100000000, -0.0013707100000000, 0.0014433600000000 ] - [ 0.0024239300000000, 0.0011943400000000, 0.0105481100000000 ] - [ 0.0001078500000000, -0.0004107800000000, 0.0002746200000000 ] - [ 0.0001955500000000, -0.0001574900000000, 0.0003493200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0091464900000000, 0.0085978200000000, 0.1500309800000000 ] - [ 0.0005687000000000, -0.0000755600000000, 0.0037266800000000 ] - [ 0.0001170300000000, -0.0003433100000000, -0.0000102200000000 ] - [ -0.0000044000000000, -0.0003512100000000, -0.0001067500000000 ] - [ 0.0024771700000000, -0.0043390000000000, -0.0221623900000000 ] - [ -0.0005506100000000, -0.0013510200000000, -0.0038055800000000 ] - [ -0.0000408900000000, -0.0001092500000000, -0.0004466500000000 ] - [ -0.0000693600000000, -0.0000319500000000, -0.0003772200000000 ] - [ -0.0005234000000000, 0.0004514500000000, 0.0004441900000000 ] - [ 0.0000719400000000, 0.0000113600000000, 0.0003230700000000 ] - [ -0.0093022300000000, -0.0081898700000000, 0.0097391500000000 ] - [ 0.0025994100000000, -0.0017121300000000, 0.0069192000000000 ] - [ -0.0001133700000000, 0.0000400000000000, -0.0004590000000000 ] - [ 0.0000126800000000, 0.0001584200000000, -0.0004108200000000 ] - [ -0.0025606400000000, 0.0004825500000000, -0.0074285500000000 ] - [ 0.0018007000000000, 0.0001809100000000, -0.0080775900000000 ] - [ 0.0025094300000000, -0.0066925300000000, 0.0046871500000000 ] - [ -0.0022805600000000, -0.0052705600000000, 0.0046974200000000 ] - [ 0.0000349300000000, 0.0004091200000000, 0.0006518600000000 ] - [ 0.0000313600000000, 0.0004240300000000, 0.0006524500000000 ] - [ -0.0062521300000000, 0.0039935200000000, -0.0037599600000000 ] - [ 0.0096506200000000, 0.0085216600000000, -0.0079340200000000 ] - [ -0.0002236700000000, -0.0002512000000000, 0.0000169000000000 ] - [ 0.0002714300000000, -0.0003087700000000, 0.0000945800000000 ] - [ 0.0001965000000000, -0.0007109200000000, 0.0003449200000000 ] - [ 0.0002080800000000, -0.0006964700000000, 0.0006496000000000 ] - [ 0.0004237100000000, 0.0023232300000000, 0.0002942600000000 ] - [ -0.0009757900000000, 0.0097901500000000, -0.0003723800000000 ] - [ 0.0001790800000000, 0.0000093000000000, -0.0003695200000000 ] - [ -0.0003072500000000, 0.0003977200000000, -0.0018741100000000 ] - [ -0.0000929200000000, -0.0006621400000000, -0.0003682400000000 ] - [ 0.0000062600000000, -0.0033174800000000, -0.0018674700000000 ] - [ 0.0040439200000000, 0.0083105700000000, 0.0067570800000000 ] - [ 0.0006440800000000, 0.0001875300000000, 0.0025396900000000 ] - [ 0.0007293400000000, -0.0017648300000000, 0.0028500700000000 ] - [ -0.0002975200000000, -0.0003002900000000, 0.0004138100000000 ] - [ 0.0008236200000000, -0.0023157400000000, -0.0031421500000000 ] - [ -0.0004929000000000, -0.0009749800000000, -0.0027024700000000 ] - [ -0.0000337400000000, 0.0007585600000000, -0.0009449000000000 ] - [ 0.0000856100000000, 0.0005380500000000, -0.0014931900000000 ] - [ 0.0224403800000000, 0.0082726800000000, -0.0085668800000000 ] - [ -0.0332851700000000, 0.0181494300000000, -0.0031405700000000 ] - [ -0.0000453200000000, -0.0000883400000000, -0.0000396300000000 ] - [ 0.0000758300000000, -0.0000691800000000, -0.0001488100000000 ] - [ -0.0000722600000000, -0.0001833400000000, -0.0001525700000000 ] - [ 0.0000182300000000, -0.0000543300000000, -0.0002258100000000 ] - [ -0.0005993800000000, 0.0002134100000000, -0.0005692500000000 ] - [ 0.0054552500000000, -0.0197146700000000, -0.0556121600000000 ] - [ -0.0000803000000000, -0.0003260400000000, -0.0000042500000000 ] - [ -0.0001110200000000, -0.0001760000000000, -0.0000947400000000 ] - [ 0.0009305100000000, 0.0024657500000000, 0.0048641000000000 ] - [ 0.0000889500000000, 0.0000552700000000, 0.0005903800000000 ] - [ -0.0002240900000000, -0.0003081400000000, -0.0001858300000000 ] - [ -0.0001795300000000, -0.0001521300000000, -0.0001849200000000 ] - [ -0.0032562300000000, -0.0066901700000000, -0.0218071900000000 ] - [ -0.0010340700000000, -0.0002590000000000, -0.0015733500000000 ] - [ 0.0003677100000000, -0.0012689600000000, 0.0000787500000000 ] - [ 0.0002660200000000, 0.0000147400000000, -0.0002489100000000 ] - [ 0.0000427000000000, 0.0033460000000000, -0.0005396200000000 ] - [ 0.0004008700000000, 0.0003320800000000, -0.0005211000000000 ] - [ 0.0002585200000000, 0.0006763300000000, 0.0005179200000000 ] - [ -0.0001085300000000, 0.0001079000000000, 0.0004118500000000 ] - [ -0.0004881300000000, -0.0007188800000000, 0.0016312200000000 ] - [ -0.0004776300000000, -0.0005345100000000, 0.0007310000000000 ] - [ 0.0041652200000000, -0.0025140200000000, 0.0103864800000000 ] - [ -0.0016357000000000, 0.0007780800000000, 0.0012645500000000 ] - [ -0.0000099000000000, 0.0002622900000000, -0.0001009500000000 ] - [ -0.0000857400000000, 0.0003010600000000, -0.0001219100000000 ] - [ -0.0000127600000000, -0.0002204700000000, -0.0014732900000000 ] - [ 0.0003375700000000, 0.0004643700000000, -0.0004739000000000 ] - [ -0.0003105000000000, -0.0006702300000000, -0.0017998200000000 ] - [ -0.0000567000000000, -0.0001972600000000, -0.0005212300000000 ] - [ -0.0000722100000000, 0.0001744700000000, 0.0028537300000000 ] - [ -0.0011911100000000, -0.0009994100000000, 0.0025863400000000 ] - [ 0.0003671900000000, 0.0002045000000000, 0.0005899300000000 ] - [ -0.0000467600000000, 0.0000533700000000, 0.0003189500000000 ] - [ -0.0000563800000000, -0.0001297800000000, -0.0002718000000000 ] - [ -0.0000905900000000, -0.0000510200000000, -0.0002025600000000 ] - [ -0.0029471300000000, -0.0051087400000000, -0.0085288100000000 ] - [ 0.0014161700000000, -0.0016608400000000, -0.0011325800000000 ] - [ 0.0024794400000000, -0.0076587200000000, -0.0029970200000000 ] - [ -0.0014203200000000, -0.0010083800000000, -0.0026339400000000 ] - [ 0.0004666000000000, 0.0005332000000000, -0.0005527600000000 ] - [ 0.0001926900000000, 0.0000794300000000, -0.0002987800000000 ] - [ -0.0022118100000000, 0.0029492700000000, 0.0025548500000000 ] - [ 0.0005112300000000, 0.0009268800000000, 0.0011448400000000 ] - [ -0.0001338700000000, -0.0004813300000000, 0.0000557600000000 ] - [ -0.0000467600000000, -0.0005931000000000, 0.0000478400000000 ] - [ -0.0037265700000000, -0.0016640200000000, 0.0069268500000000 ] - [ 0.0040925300000000, -0.0008682700000000, 0.0036596600000000 ] - [ 0.0002898600000000, 0.0002613100000000, -0.0000840200000000 ] - [ 0.0002555500000000, 0.0002234400000000, -0.0000542000000000 ] - [ 0.0081493900000000, 0.0009458900000000, -0.0094786700000000 ] - [ 0.0058094600000000, 0.0020280900000000, -0.0060185200000000 ] - [ 0.0001678600000000, 0.0002935300000000, -0.0002246800000000 ] - [ 0.0001461200000000, 0.0002634200000000, -0.0001927500000000 ] - [ -0.0002201900000000, 0.0004280100000000, 0.0005322600000000 ] - [ -0.0002785400000000, 0.0002711800000000, 0.0005745800000000 ] - [ -0.0000790700000000, 0.0004294600000000, 0.0007014000000000 ] - [ -0.0007079000000000, 0.0007807400000000, 0.0015625700000000 ] - [ -0.0011058000000000, 0.0011042800000000, 0.0002464500000000 ] - [ -0.0002244900000000, 0.0010539200000000, 0.0005593500000000 ] - [ 0.0000463300000000, -0.0004440900000000, 0.0003690100000000 ] - [ 0.0006686400000000, -0.0010801800000000, 0.0008319600000000 ] - [ 0.0003028600000000, -0.0001373900000000, 0.0000798300000000 ] - [ 0.0002539200000000, -0.0001924000000000, 0.0000931300000000 ] - [ -0.0011876400000000, -0.0017922800000000, 0.0016906900000000 ] - [ 0.0022843200000000, -0.0051965000000000, 0.0033492600000000 ] - [ -0.0001508200000000, 0.0000351800000000, 0.0001641300000000 ] - [ -0.0002940200000000, 0.0000053600000000, 0.0001078100000000 ] - [ 0.0017505000000000, 0.0003553800000000, 0.0011943200000000 ] - [ -0.0069692400000000, 0.0069755300000000, 0.0035085200000000 ] - [ -0.0000916800000000, -0.0002404500000000, 0.0016753400000000 ] - [ 0.0009334200000000, 0.0000871600000000, 0.0030040400000000 ] - [ 0.0000688800000000, -0.0002179800000000, 0.0003632900000000 ] - [ -0.0001374000000000, -0.0000073800000000, 0.0005446300000000 ] - [ 0.0000493600000000, 0.0000622300000000, -0.0002680300000000 ] - [ -0.0000599000000000, 0.0001201200000000, -0.0002039400000000 ] - [ -0.0025527300000000, -0.0022170800000000, -0.0021118000000000 ] - [ -0.0029983400000000, 0.0042477400000000, -0.0125801600000000 ] - [ 0.0006678400000000, -0.0001696600000000, 0.0012314900000000 ] - [ -0.0019191100000000, -0.0005443100000000, 0.0093901600000000 ] - [ 0.0000494000000000, 0.0000432800000000, -0.0000719000000000 ] - [ 0.0000256200000000, 0.0000392400000000, -0.0000751200000000 ] - [ 0.0001043400000000, 0.0006138300000000, -0.0005288000000000 ] - [ 0.0001390400000000, 0.0010182300000000, -0.0005873900000000 ] - [ 0.0012400300000000, 0.0009256800000000, -0.0005317600000000 ] - [ -0.0002540300000000, -0.0001807700000000, -0.0014198800000000 ] - [ -0.0021156100000000, 0.0003334200000000, 0.0011998800000000 ] - [ 0.0018574200000000, -0.0029367600000000, -0.0105871600000000 ] - [ 0.0002007200000000, -0.0000338700000000, 0.0000900700000000 ] - [ 0.0001447600000000, -0.0000244000000000, 0.0001230700000000 ] - [ 0.0010283800000000, 0.0003048300000000, -0.0012431200000000 ] - [ 0.0112684300000000, 0.0051392100000000, -0.0287170100000000 ] - [ -0.0001625500000000, 0.0004071900000000, 0.0000166100000000 ] - [ -0.0002183000000000, 0.0004165800000000, 0.0000039500000000 ] - [ 0.0012280400000000, -0.0008788100000000, -0.0003018500000000 ] - [ 0.0007569500000000, -0.0040164800000000, -0.0009231300000000 ] - [ 0.0002899600000000, -0.0001214600000000, 0.0001203900000000 ] - [ -0.0003072900000000, 0.0004673600000000, -0.0001431500000000 ] - [ -0.0008216300000000, 0.0009277000000000, -0.0011150600000000 ] - [ -0.0021203700000000, -0.0016753900000000, -0.0100888600000000 ] - [ 0.0001569500000000, -0.0000281300000000, 0.0000438100000000 ] - [ 0.0000673700000000, -0.0002806900000000, -0.0000310200000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0106629300000000, -0.0013253900000000, -0.0027046300000000 ] - [ 0.0058210300000000, -0.0000184200000000, 0.0003254300000000 ] - [ -0.0003700400000000, -0.0004113400000000, -0.0001813000000000 ] - [ 0.0004433000000000, -0.0003252400000000, -0.0001525600000000 ] - [ -0.1228797800000000, 0.0018392400000000, -0.0136582600000000 ] - [ 0.0139513700000000, 0.0002605500000000, -0.0001565200000000 ] - [ -0.0007308900000000, -0.0001827300000000, -0.0002603100000000 ] - [ 0.0006871700000000, -0.0000669100000000, -0.0002212500000000 ] - [ -0.0001638400000000, -0.0008581300000000, 0.0001842800000000 ] - [ 0.0003501200000000, 0.0008358700000000, -0.0002849900000000 ] - [ -0.0002212600000000, 0.0016068400000000, 0.0010476200000000 ] - [ 0.0020961200000000, -0.0018561200000000, -0.0000354400000000 ] - [ -0.0000750000000000, -0.0019156200000000, -0.0007428500000000 ] - [ 0.0003766900000000, 0.0024598500000000, -0.0001588900000000 ] - [ 0.0042184400000000, 0.0127091600000000, -0.0095516800000000 ] - [ 0.0075180500000000, -0.0088737200000000, 0.0023662100000000 ] - [ 0.0049101000000000, -0.0026807200000000, 0.0099129700000000 ] - [ 0.0022132600000000, 0.0041472900000000, -0.0060383400000000 ] - [ -0.0000458800000000, 0.0004528600000000, 0.0004945400000000 ] - [ 0.0001930300000000, -0.0001825800000000, -0.0000009400000000 ] - [ 0.0089660300000000, -0.0010584500000000, -0.0125295600000000 ] - [ 0.0089686800000000, 0.0028228200000000, 0.0152794100000000 ] - [ -0.0000045800000000, 0.0000326100000000, 0.0000026000000000 ] - [ -0.0000031300000000, -0.0001875400000000, 0.0003432100000000 ] - [ 0.0039982700000000, -0.0012682400000000, 0.0002542800000000 ] - [ -0.0055289300000000, 0.0007090400000000, 0.0011939500000000 ] - [ 0.0039987500000000, 0.0010342300000000, 0.0013488400000000 ] - [ -0.0055322200000000, -0.0009833500000000, -0.0006289500000000 ] - [ 0.0054612300000000, -0.0004112300000000, -0.0002088100000000 ] - [ -0.0122967800000000, 0.0023238900000000, 0.0012117000000000 ] - [ 0.0015548400000000, -0.0002491000000000, 0.0000261300000000 ] - [ -0.0017305200000000, -0.0009297800000000, 0.0000151400000000 ] - [ -0.0065900100000000, 0.0008704800000000, 0.0008675600000000 ] - [ 0.0054382900000000, 0.0002958000000000, 0.0004661400000000 ] - [ -0.0012529500000000, -0.0003266700000000, 0.0001372500000000 ] - [ 0.0011325600000000, -0.0003083400000000, 0.0004501900000000 ] - [ 0.0169824900000000, -0.0302500600000000, -0.0047989900000000 ] - [ 0.0201444800000000, 0.0185277800000000, -0.0050311700000000 ] - [ -0.0006710000000000, 0.0016339300000000, 0.0003312400000000 ] - [ 0.0007374000000000, -0.0015667700000000, -0.0002237200000000 ] - [ 0.0163909200000000, 0.0110246800000000, 0.0214042900000000 ] - [ 0.0155057400000000, -0.0139011600000000, -0.0118672500000000 ] - [ -0.0000210500000000, -0.0006822100000000, 0.0003871500000000 ] - [ 0.0001626300000000, 0.0004918200000000, -0.0007172200000000 ] - [ 0.0009685700000000, -0.0002541500000000, -0.0000123300000000 ] - [ -0.0010923100000000, -0.0001820900000000, -0.0001833500000000 ] - [ 0.0075459500000000, 0.0005418500000000, -0.0002292300000000 ] - [ -0.0278197700000000, -0.0046138300000000, 0.0099652400000000 ] - [ 0.0005881800000000, -0.0003454600000000, 0.0003363100000000 ] - [ -0.0009013000000000, -0.0002121800000000, -0.0003843300000000 ] - [ 0.0065493400000000, -0.0002937800000000, 0.0005212200000000 ] - [ -0.0035961000000000, -0.0000883900000000, -0.0010268400000000 ] - [ 0.0000948700000000, 0.0000295900000000, -0.0001456100000000 ] - [ -0.0005227900000000, -0.0003274000000000, -0.0001090600000000 ] - [ 0.0023441300000000, -0.0002259000000000, 0.0020584300000000 ] - [ -0.0020986600000000, -0.0006243400000000, -0.0002553600000000 ] - [ 0.0017492200000000, 0.0005641600000000, -0.0002693300000000 ] - [ -0.0008938200000000, 0.0001649300000000, 0.0001074600000000 ] - [ 0.0009265700000000, 0.0000659200000000, -0.0002883400000000 ] - [ -0.0005917900000000, 0.0008947300000000, 0.0001150200000000 ] - [ 0.0047379800000000, 0.0064621900000000, -0.0003249200000000 ] - [ -0.0031767700000000, -0.0021311000000000, 0.0003410900000000 ] - [ 0.0007806700000000, -0.0005883100000000, -0.0002157700000000 ] - [ -0.0012793600000000, 0.0002719500000000, 0.0002701300000000 ] - [ 0.0176196300000000, -0.0038899700000000, 0.0004220100000000 ] - [ -0.0052996100000000, 0.0016906000000000, -0.0008357900000000 ] - [ 0.0002642500000000, 0.0003644800000000, -0.0000893800000000 ] - [ -0.0003549800000000, 0.0001319400000000, -0.0002687000000000 ] - [ 0.0020110500000000, 0.0011947900000000, -0.0013959500000000 ] - [ -0.0018307400000000, -0.0010510700000000, 0.0005463300000000 ] - [ 0.0007158200000000, -0.0004239600000000, 0.0002132800000000 ] - [ -0.0008467900000000, 0.0003330800000000, -0.0002109700000000 ] - [ 0.0089256600000000, 0.0027885000000000, 0.0015700300000000 ] - [ -0.0074646800000000, -0.0012350000000000, -0.0013535000000000 ] - [ 0.0004020500000000, -0.0001625600000000, 0.0003026400000000 ] - [ -0.0002720800000000, 0.0002664900000000, 0.0000666000000000 ] - [ 0.0004844900000000, -0.0001314600000000, -0.0002963700000000 ] - [ -0.0006308200000000, -0.0000459300000000, -0.0001224400000000 ] - [ 0.0031318000000000, -0.0041042200000000, -0.0052716400000000 ] - [ -0.0024830600000000, 0.0012031900000000, 0.0009882300000000 ] - [ 0.0034660000000000, 0.0012956800000000, 0.0005242100000000 ] - [ -0.0032259300000000, -0.0017561200000000, -0.0018575300000000 ] - [ 0.0003868200000000, 0.0000836500000000, -0.0001599400000000 ] - [ 0.0000574800000000, 0.0001588400000000, -0.0001173400000000 ] - [ 0.0115351300000000, -0.0040320000000000, 0.0077618500000000 ] - [ -0.0057412500000000, -0.0011634200000000, 0.0019085400000000 ] - [ -0.0000571900000000, -0.0005105500000000, -0.0000523300000000 ] - [ -0.0004085600000000, -0.0001382900000000, -0.0000342500000000 ] - [ 0.0169665800000000, 0.0117202300000000, 0.0052824400000000 ] - [ -0.0059545900000000, 0.0014061700000000, -0.0000609000000000 ] - [ 0.0004726600000000, 0.0005779400000000, -0.0002124900000000 ] - [ -0.0000137800000000, -0.0000645800000000, 0.0001382000000000 ] - [ 0.0011847700000000, -0.0000264600000000, -0.0058904800000000 ] - [ -0.0046720600000000, 0.0001183600000000, 0.0032083700000000 ] - [ 0.0002224000000000, 0.0002850100000000, -0.0002504300000000 ] - [ 0.0000469300000000, 0.0003455400000000, -0.0000947900000000 ] - [ -0.0023729300000000, 0.0035463500000000, 0.0012257900000000 ] - [ -0.0005281500000000, -0.0069090200000000, -0.0019113100000000 ] - [ -0.0004053600000000, -0.0021183200000000, 0.0001219400000000 ] - [ 0.0001315900000000, 0.0023837300000000, 0.0002080200000000 ] - [ -0.0058047600000000, 0.0050411200000000, -0.0019829400000000 ] - [ 0.0004770300000000, -0.0048860100000000, 0.0046319900000000 ] - [ -0.0003462800000000, -0.0004658400000000, -0.0001373600000000 ] - [ -0.0000559800000000, 0.0009153600000000, 0.0004455900000000 ] - [ 0.0000201900000000, 0.0003471400000000, -0.0002020300000000 ] - [ 0.0005561400000000, -0.0009074000000000, 0.0004048700000000 ] - [ -0.0052368500000000, -0.0051359800000000, -0.0011203500000000 ] - [ 0.0000662800000000, 0.0049427400000000, 0.0011409100000000 ] - [ -0.0007490800000000, 0.0004510500000000, 0.0001767400000000 ] - [ 0.0004604000000000, -0.0003375500000000, -0.0000554900000000 ] - [ -0.0020111200000000, -0.0003372000000000, 0.0013737800000000 ] - [ -0.0000128600000000, 0.0040214100000000, -0.0032202600000000 ] - [ -0.0076353500000000, 0.0008417000000000, 0.0026664000000000 ] - [ 0.0085689500000000, 0.0010442800000000, 0.0028661200000000 ] - [ -0.0003557800000000, -0.0006815600000000, 0.0002404500000000 ] - [ 0.0003222600000000, 0.0003118200000000, 0.0001140100000000 ] - [ -0.0001635800000000, 0.0002514200000000, -0.0002591300000000 ] - [ 0.0001319500000000, -0.0000518300000000, -0.0001028600000000 ] - [ -0.0017056500000000, -0.0008458500000000, -0.0017106600000000 ] - [ 0.0005733000000000, 0.0034719100000000, 0.0031980300000000 ] - [ -0.0048791300000000, -0.0012571000000000, 0.0020370500000000 ] - [ 0.0161872200000000, 0.0013140900000000, -0.0020266700000000 ] - [ -0.0003551800000000, 0.0002088800000000, -0.0000469100000000 ] - [ 0.0004497000000000, -0.0001225600000000, -0.0002296200000000 ] - [ -0.0013447300000000, 0.0010791600000000, -0.0004018500000000 ] - [ 0.0011289600000000, -0.0009087800000000, 0.0002335300000000 ] - [ -0.0005183100000000, -0.0003143300000000, -0.0000131100000000 ] - [ 0.0006501800000000, 0.0010624100000000, 0.0001729900000000 ] - [ -0.0066311900000000, 0.0005964800000000, -0.0015506600000000 ] - [ 0.0115172000000000, -0.0010176900000000, -0.0058549100000000 ] - [ -0.0000663000000000, 0.0001946600000000, 0.0001130500000000 ] - [ 0.0004396600000000, -0.0002282100000000, 0.0001373000000000 ] - [ -0.0027239700000000, -0.0006884200000000, 0.0010874100000000 ] - [ 0.0040736100000000, 0.0006474900000000, -0.0043348300000000 ] - [ -0.0003801400000000, 0.0004147200000000, 0.0000975500000000 ] - [ -0.0000251800000000, 0.0003371600000000, -0.0000619400000000 ] - [ -0.0022374500000000, 0.0009152100000000, 0.0010685500000000 ] - [ 0.0038581500000000, -0.0023806600000000, -0.0018578000000000 ] - [ -0.0000911500000000, -0.0001058800000000, 0.0001268500000000 ] - [ 0.0005119100000000, -0.0000852700000000, 0.0001208800000000 ] - [ -0.0036269600000000, -0.0002215300000000, -0.0007378600000000 ] - [ 0.0034609000000000, -0.0016613100000000, 0.0010291600000000 ] - [ -0.0001388600000000, -0.0002342200000000, 0.0001036500000000 ] - [ 0.0004262800000000, -0.0000339800000000, 0.0001514700000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0107518100000000, 0.0008511400000000, 0.0022628100000000 ] - [ -0.0057310300000000, -0.0004484900000000, -0.0007331200000000 ] - [ 0.0004618400000000, -0.0000588700000000, -0.0002335600000000 ] - [ -0.0003536800000000, -0.0001455200000000, -0.0002627200000000 ] - [ 0.1221454000000000, -0.0019054600000000, 0.0129646800000000 ] - [ -0.0139986700000000, -0.0003209500000000, -0.0002367200000000 ] - [ 0.0007017100000000, 0.0001202500000000, -0.0001261400000000 ] - [ -0.0007181600000000, 0.0000045500000000, -0.0001647500000000 ] - [ 0.0001902100000000, 0.0009219800000000, -0.0005685400000000 ] - [ -0.0003164100000000, -0.0007765500000000, -0.0001002400000000 ] - [ 0.0002377700000000, -0.0015510600000000, -0.0014306900000000 ] - [ -0.0020571600000000, 0.0019201200000000, -0.0003507300000000 ] - [ -0.0000170700000000, 0.0023900200000000, 0.0003271200000000 ] - [ -0.0004659200000000, -0.0019957800000000, -0.0002582600000000 ] - [ -0.0043309100000000, -0.0121883800000000, 0.0090969700000000 ] - [ -0.0076202200000000, 0.0094025600000000, -0.0028071500000000 ] - [ -0.0048271900000000, 0.0031346800000000, -0.0094853200000000 ] - [ -0.0021044100000000, -0.0036805700000000, 0.0064883400000000 ] - [ 0.0001362900000000, 0.0000158600000000, -0.0000789400000000 ] - [ -0.0001004400000000, 0.0006517000000000, 0.0004172600000000 ] - [ -0.0090175500000000, 0.0011044700000000, 0.0128272100000000 ] - [ -0.0090152900000000, -0.0027837800000000, -0.0150126800000000 ] - [ -0.0000270500000000, 0.0000292500000000, 0.0003831400000000 ] - [ -0.0000255900000000, 0.0002494000000000, 0.0000419900000000 ] - [ -0.0039760800000000, 0.0012012300000000, 0.0001349400000000 ] - [ 0.0055713400000000, -0.0007703200000000, -0.0008080700000000 ] - [ -0.0039756500000000, -0.0010926400000000, -0.0009651000000000 ] - [ 0.0055680400000000, 0.0009141600000000, 0.0010172600000000 ] - [ -0.0055630900000000, -0.0000745500000000, 0.0006171500000000 ] - [ 0.0122507600000000, -0.0027548000000000, -0.0007909200000000 ] - [ -0.0016490200000000, -0.0002159800000000, 0.0003892500000000 ] - [ 0.0016437300000000, 0.0004518400000000, 0.0003991200000000 ] - [ 0.0066562700000000, -0.0011072300000000, -0.0005864700000000 ] - [ -0.0053886700000000, -0.0005485700000000, -0.0001889500000000 ] - [ 0.0013137400000000, 0.0000767600000000, 0.0001407200000000 ] - [ -0.0010745000000000, 0.0000623800000000, -0.0001748700000000 ] - [ -0.0170692200000000, 0.0303303800000000, 0.0050255000000000 ] - [ -0.0202873700000000, -0.0184331600000000, 0.0052989000000000 ] - [ 0.0006086800000000, -0.0013890500000000, -0.0000543100000000 ] - [ -0.0007952200000000, 0.0018166900000000, 0.0005009500000000 ] - [ -0.0162847200000000, -0.0106743100000000, -0.0216092300000000 ] - [ -0.0154089900000000, 0.0141996800000000, 0.0116928800000000 ] - [ 0.0000792600000000, 0.0009285100000000, -0.0006641400000000 ] - [ -0.0001018300000000, -0.0002477600000000, 0.0004425500000000 ] - [ -0.0010306000000000, 0.0000050600000000, -0.0002648600000000 ] - [ 0.0010349500000000, -0.0000637700000000, -0.0000922800000000 ] - [ -0.0076153900000000, -0.0007691100000000, -0.0000749000000000 ] - [ 0.0279086300000000, 0.0043230100000000, -0.0102252700000000 ] - [ -0.0008531100000000, -0.0000932500000000, -0.0006543200000000 ] - [ 0.0006380500000000, -0.0002206600000000, 0.0000669000000000 ] - [ -0.0068238000000000, -0.0001223900000000, -0.0008357700000000 ] - [ 0.0033366100000000, -0.0003578100000000, 0.0007116600000000 ] - [ -0.0005553200000000, -0.0004094100000000, -0.0000905100000000 ] - [ 0.0000626100000000, -0.0000508400000000, -0.0001261500000000 ] - [ -0.0028099600000000, -0.0001345400000000, -0.0023140000000000 ] - [ 0.0016377700000000, 0.0002414500000000, 0.0000229300000000 ] - [ -0.0013086900000000, 0.0001124800000000, 0.0001793900000000 ] - [ 0.0013368300000000, 0.0005167200000000, -0.0001922300000000 ] - [ -0.0004843000000000, 0.0006174800000000, 0.0002010700000000 ] - [ 0.0010344400000000, -0.0002155500000000, -0.0002003000000000 ] - [ -0.0051487300000000, -0.0066114100000000, 0.0001177400000000 ] - [ 0.0027749400000000, 0.0020027200000000, -0.0005604500000000 ] - [ -0.0011870900000000, 0.0004478400000000, -0.0000035800000000 ] - [ 0.0008716700000000, -0.0004160600000000, -0.0004904200000000 ] - [ -0.0174677700000000, 0.0044399200000000, -0.0010047000000000 ] - [ 0.0052840800000000, -0.0012633300000000, 0.0005396200000000 ] - [ -0.0002889100000000, 0.0000706800000000, -0.0002182300000000 ] - [ 0.0003304100000000, 0.0003046800000000, -0.0000386700000000 ] - [ -0.0020921800000000, -0.0011955200000000, 0.0016682800000000 ] - [ 0.0017501000000000, 0.0010568700000000, -0.0002738600000000 ] - [ -0.0007987600000000, 0.0004268000000000, 0.0000605100000000 ] - [ 0.0007646100000000, -0.0003314100000000, 0.0004863800000000 ] - [ -0.0086287500000000, -0.0030679800000000, -0.0014569300000000 ] - [ 0.0075487700000000, 0.0012517400000000, 0.0016354500000000 ] - [ -0.0003182400000000, 0.0001614400000000, -0.0000274300000000 ] - [ 0.0003548700000000, -0.0002697500000000, 0.0002088700000000 ] - [ -0.0004602400000000, -0.0003043500000000, -0.0000113500000000 ] - [ 0.0006552400000000, -0.0003884200000000, -0.0001856500000000 ] - [ -0.0031112200000000, 0.0036730200000000, 0.0049681200000000 ] - [ 0.0025059000000000, -0.0016473200000000, -0.0013067600000000 ] - [ -0.0030531700000000, -0.0011543100000000, -0.0007482700000000 ] - [ 0.0036403500000000, 0.0019050400000000, 0.0016445400000000 ] - [ 0.0000223700000000, 0.0000610100000000, -0.0000595700000000 ] - [ 0.0003501900000000, -0.0000164500000000, -0.0001023100000000 ] - [ -0.0114127800000000, 0.0028255800000000, -0.0073223800000000 ] - [ 0.0053201500000000, 0.0005111000000000, -0.0020064000000000 ] - [ -0.0003855000000000, -0.0001695800000000, -0.0000341400000000 ] - [ -0.0000345400000000, -0.0005428600000000, -0.0000527300000000 ] - [ -0.0156387100000000, -0.0104364400000000, -0.0050202600000000 ] - [ 0.0064297200000000, -0.0010601700000000, -0.0002077000000000 ] - [ -0.0000114600000000, -0.0001987000000000, -0.0000225600000000 ] - [ 0.0004749900000000, 0.0004445400000000, -0.0003736200000000 ] - [ -0.0009113600000000, 0.0004585400000000, 0.0055566800000000 ] - [ 0.0049206600000000, 0.0003117300000000, -0.0035273100000000 ] - [ 0.0000424200000000, 0.0001530700000000, -0.0000682800000000 ] - [ 0.0002172400000000, 0.0000919500000000, -0.0002233600000000 ] - [ 0.0021348300000000, -0.0031233300000000, -0.0009064700000000 ] - [ 0.0002567000000000, 0.0073380300000000, 0.0022316800000000 ] - [ 0.0001425700000000, 0.0025555400000000, 0.0001953200000000 ] - [ -0.0004003900000000, -0.0019525500000000, 0.0001106400000000 ] - [ 0.0053730300000000, -0.0046745300000000, 0.0022227600000000 ] - [ -0.0009464700000000, 0.0052874000000000, -0.0044108000000000 ] - [ -0.0001138500000000, 0.0008454700000000, 0.0003734400000000 ] - [ -0.0004066400000000, -0.0005363300000000, -0.0002110600000000 ] - [ 0.0004241500000000, -0.0010271700000000, 0.0002898200000000 ] - [ -0.0001141500000000, 0.0002297300000000, -0.0003192200000000 ] - [ 0.0057121300000000, 0.0044760000000000, 0.0012040600000000 ] - [ 0.0003635300000000, -0.0056332000000000, -0.0010709200000000 ] - [ 0.0003428800000000, -0.0003083100000000, 0.0000427700000000 ] - [ -0.0008709500000000, 0.0004807600000000, 0.0002747300000000 ] - [ 0.0016119700000000, 0.0004756700000000, -0.0011477200000000 ] - [ -0.0004053900000000, -0.0038737900000000, 0.0034425300000000 ] - [ 0.0076199600000000, -0.0012261200000000, -0.0023455100000000 ] - [ -0.0092158600000000, -0.0021026900000000, -0.0028573000000000 ] - [ 0.0003320300000000, 0.0002456300000000, 0.0000670600000000 ] - [ -0.0003486800000000, -0.0007482800000000, 0.0001944400000000 ] - [ 0.0000813100000000, -0.0002533100000000, -0.0000164700000000 ] - [ -0.0002153800000000, 0.0000500900000000, -0.0001718300000000 ] - [ 0.0016254300000000, 0.0008361200000000, 0.0014320700000000 ] - [ -0.0006637300000000, -0.0034559000000000, -0.0034647600000000 ] - [ 0.0049562800000000, 0.0012388700000000, -0.0022826400000000 ] - [ -0.0165103500000000, -0.0010122300000000, 0.0013928800000000 ] - [ 0.0004389200000000, -0.0002068200000000, -0.0002281500000000 ] - [ -0.0003680400000000, 0.0001248400000000, -0.0000450300000000 ] - [ 0.0013727500000000, -0.0006422000000000, 0.0007086600000000 ] - [ -0.0011101400000000, 0.0013424000000000, 0.0000700300000000 ] - [ 0.0005450400000000, 0.0007509500000000, 0.0003202800000000 ] - [ -0.0006273400000000, -0.0006256300000000, 0.0001342200000000 ] - [ 0.0070481200000000, -0.0007561000000000, 0.0017534400000000 ] - [ -0.0113318400000000, 0.0010702300000000, 0.0066229700000000 ] - [ 0.0004752400000000, -0.0003367100000000, 0.0001073500000000 ] - [ -0.0000319200000000, 0.0000859000000000, 0.0000822800000000 ] - [ 0.0022911600000000, 0.0013732300000000, -0.0009978300000000 ] - [ -0.0045431000000000, 0.0000220500000000, 0.0044241600000000 ] - [ -0.0000622900000000, 0.0002651700000000, -0.0000122000000000 ] - [ -0.0004177000000000, 0.0003433700000000, 0.0001480300000000 ] - [ 0.0027051500000000, -0.0012965100000000, -0.0008338100000000 ] - [ -0.0034142300000000, 0.0020030000000000, 0.0021003400000000 ] - [ 0.0005523300000000, -0.0002736400000000, 0.0001090800000000 ] - [ -0.0000529300000000, -0.0002925200000000, 0.0001142700000000 ] - [ 0.0038972700000000, -0.0002130900000000, 0.0010537500000000 ] - [ -0.0032065000000000, 0.0012185400000000, -0.0007100100000000 ] - [ 0.0004038500000000, -0.0002025400000000, 0.0002148700000000 ] - [ -0.0001625500000000, -0.0004023600000000, 0.0001660700000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004280200000000, -0.0068436200000000, 0.0040368300000000 ] - [ -0.0000180700000000, -0.0046578900000000, 0.0011050400000000 ] - [ 0.0000389900000000, 0.0032157200000000, -0.0001258300000000 ] - [ 0.0000191700000000, 0.0028114700000000, -0.0002030800000000 ] - [ 0.0013362000000000, -0.1222406900000000, -0.0011721500000000 ] - [ 0.0002823900000000, -0.0113248700000000, -0.0024145200000000 ] - [ -0.0001669500000000, 0.0041741400000000, -0.0000782500000000 ] - [ -0.0000502600000000, 0.0037138600000000, -0.0000278500000000 ] - [ -0.0008726800000000, 0.0020344000000000, 0.0001070700000000 ] - [ 0.0008188500000000, 0.0014886900000000, -0.0000268400000000 ] - [ 0.0015910600000000, 0.0020902200000000, 0.0004001900000000 ] - [ -0.0018677500000000, 0.0016233800000000, -0.0007134800000000 ] - [ -0.0010288600000000, 0.0051851400000000, 0.0002025800000000 ] - [ 0.0007914000000000, 0.0046080100000000, -0.0002354300000000 ] - [ 0.0113336200000000, 0.0100710400000000, -0.0084559100000000 ] - [ -0.0080980600000000, 0.0049583900000000, -0.0019621000000000 ] - [ -0.0045752600000000, -0.0061662300000000, -0.0083148500000000 ] - [ 0.0012778300000000, -0.0075050200000000, -0.0037797100000000 ] - [ 0.0002748700000000, 0.0036404200000000, 0.0005520200000000 ] - [ -0.0001445800000000, 0.0035760900000000, 0.0004937600000000 ] - [ -0.0028400500000000, -0.0145480900000000, 0.0052040700000000 ] - [ 0.0010856800000000, -0.0145564300000000, 0.0058696700000000 ] - [ 0.0002044900000000, 0.0038021300000000, 0.0003086900000000 ] - [ -0.0000177000000000, 0.0038020600000000, 0.0003157100000000 ] - [ -0.0010463400000000, 0.0025776700000000, -0.0018137700000000 ] - [ 0.0009591800000000, 0.0058467300000000, -0.0049020300000000 ] - [ 0.0012505300000000, 0.0025709000000000, 0.0016564800000000 ] - [ -0.0007280600000000, 0.0058618100000000, 0.0024872600000000 ] - [ -0.0010676800000000, 0.0013054100000000, 0.0025627700000000 ] - [ 0.0019596500000000, 0.0140304100000000, 0.0099607700000000 ] - [ 0.0004463800000000, 0.0021221000000000, -0.0004741700000000 ] - [ -0.0006935600000000, 0.0054133500000000, -0.0004668600000000 ] - [ -0.0003787600000000, -0.0041905500000000, 0.0025981400000000 ] - [ -0.0007582900000000, -0.0031619600000000, 0.0006858000000000 ] - [ -0.0001092600000000, 0.0042559300000000, -0.0001093800000000 ] - [ 0.0001467700000000, 0.0034211100000000, 0.0003014400000000 ] - [ -0.0289839100000000, 0.0230150300000000, -0.0010276700000000 ] - [ 0.0193330800000000, 0.0087253600000000, -0.0051447300000000 ] - [ 0.0008780000000000, 0.0055270700000000, 0.0002696900000000 ] - [ -0.0006395900000000, 0.0047257700000000, 0.0001565600000000 ] - [ 0.0170643300000000, 0.0005183300000000, 0.0198652900000000 ] - [ -0.0117734700000000, 0.0009961300000000, 0.0082121500000000 ] - [ -0.0004470000000000, 0.0046101000000000, -0.0007534600000000 ] - [ 0.0004575300000000, 0.0045817900000000, -0.0008115400000000 ] - [ -0.0003095500000000, 0.0036803600000000, 0.0003799600000000 ] - [ 0.0002016200000000, 0.0049055200000000, 0.0009533200000000 ] - [ 0.0010714200000000, -0.0040976500000000, -0.0013862000000000 ] - [ -0.0004003300000000, 0.0063567900000000, -0.0234147400000000 ] - [ 0.0000445000000000, -0.0043404000000000, -0.0011039000000000 ] - [ -0.0002167600000000, -0.0021874700000000, -0.0006908900000000 ] - [ -0.0006044700000000, -0.0054525800000000, 0.0039882000000000 ] - [ 0.0007159800000000, 0.0000584200000000, 0.0006488900000000 ] - [ -0.0005455000000000, -0.0016528400000000, -0.0005193100000000 ] - [ -0.0006514700000000, -0.0013679700000000, -0.0002614800000000 ] - [ -0.0005173000000000, -0.0002337500000000, 0.0012782600000000 ] - [ 0.0004276600000000, 0.0009043100000000, -0.0001727900000000 ] - [ 0.0009655800000000, -0.0000068500000000, -0.0025912800000000 ] - [ 0.0002497700000000, 0.0005997400000000, -0.0009508900000000 ] - [ 0.0005498600000000, -0.0013405500000000, 0.0006127000000000 ] - [ 0.0007150900000000, -0.0007718000000000, 0.0000689400000000 ] - [ 0.0000241200000000, -0.0071186900000000, 0.0016648600000000 ] - [ -0.0015241400000000, -0.0007128700000000, 0.0003268800000000 ] - [ -0.0011437700000000, -0.0027780200000000, 0.0001937600000000 ] - [ -0.0002961600000000, -0.0015446200000000, 0.0001849900000000 ] - [ -0.0015507300000000, 0.0155366200000000, -0.0030085300000000 ] - [ 0.0001636900000000, 0.0034468800000000, 0.0001717700000000 ] - [ 0.0006033800000000, -0.0022281600000000, -0.0001493600000000 ] - [ 0.0003477700000000, -0.0017294000000000, -0.0001961300000000 ] - [ -0.0000297700000000, 0.0003362200000000, 0.0015327300000000 ] - [ -0.0000391200000000, 0.0008813600000000, 0.0006707800000000 ] - [ -0.0003888600000000, -0.0020987000000000, -0.0002738400000000 ] - [ -0.0002707100000000, -0.0016616700000000, -0.0002286900000000 ] - [ 0.0015794000000000, 0.0098420500000000, -0.0000044000000000 ] - [ -0.0047944100000000, 0.0022114500000000, -0.0020065300000000 ] - [ -0.0003229900000000, -0.0024494200000000, 0.0004033600000000 ] - [ 0.0000312200000000, -0.0019341800000000, 0.0003844700000000 ] - [ 0.0008038100000000, -0.0022967200000000, 0.0002629300000000 ] - [ 0.0003000200000000, -0.0017662800000000, 0.0000982600000000 ] - [ -0.0002330400000000, -0.0026504100000000, -0.0050904100000000 ] - [ 0.0010393400000000, 0.0002955700000000, -0.0010538500000000 ] - [ 0.0006502300000000, 0.0031616500000000, -0.0001092400000000 ] - [ 0.0003907200000000, 0.0016819800000000, 0.0002664400000000 ] - [ -0.0003591600000000, -0.0016864000000000, -0.0004910900000000 ] - [ -0.0001381200000000, -0.0013400100000000, -0.0004848500000000 ] - [ -0.0048452700000000, 0.0118721700000000, -0.0041071500000000 ] - [ -0.0042670300000000, 0.0034076800000000, 0.0028494700000000 ] - [ 0.0002976300000000, -0.0023665200000000, -0.0002417900000000 ] - [ 0.0004634400000000, -0.0020738400000000, -0.0001064000000000 ] - [ 0.0103818600000000, 0.0186443800000000, 0.0036130000000000 ] - [ 0.0044388800000000, 0.0030743800000000, 0.0006025200000000 ] - [ -0.0003490700000000, -0.0017698200000000, 0.0000466800000000 ] - [ -0.0006236500000000, -0.0016400400000000, 0.0000204700000000 ] - [ -0.0012014600000000, 0.0074528300000000, -0.0039898900000000 ] - [ 0.0031083200000000, 0.0040483600000000, -0.0025067000000000 ] - [ 0.0002592000000000, -0.0021379500000000, 0.0001620400000000 ] - [ 0.0001215100000000, -0.0020037000000000, 0.0001506600000000 ] - [ 0.0032436200000000, -0.0033008100000000, -0.0008089400000000 ] - [ -0.0028590600000000, -0.0049999200000000, -0.0006346300000000 ] - [ -0.0009411200000000, -0.0030487100000000, -0.0000330800000000 ] - [ 0.0003106900000000, -0.0022575200000000, -0.0000939300000000 ] - [ 0.0040148800000000, -0.0023838700000000, 0.0028991900000000 ] - [ -0.0034737500000000, -0.0023514600000000, 0.0046132400000000 ] - [ 0.0000336100000000, -0.0015911900000000, -0.0001954600000000 ] - [ 0.0007137200000000, -0.0018946700000000, 0.0001248300000000 ] - [ 0.0001710500000000, -0.0021102700000000, 0.0006099300000000 ] - [ -0.0007085700000000, -0.0025833500000000, 0.0004430400000000 ] - [ -0.0047612400000000, -0.0040493900000000, -0.0015892100000000 ] - [ 0.0039302400000000, -0.0026559300000000, -0.0027043000000000 ] - [ 0.0004371300000000, -0.0013324200000000, -0.0000981400000000 ] - [ -0.0002113000000000, -0.0015489900000000, -0.0003898500000000 ] - [ -0.0018802000000000, 0.0008534700000000, 0.0013463000000000 ] - [ 0.0016307900000000, -0.0018235200000000, 0.0027566600000000 ] - [ 0.0076469600000000, 0.0034714500000000, -0.0018261200000000 ] - [ 0.0027498100000000, 0.0116963400000000, 0.0022908000000000 ] - [ -0.0007584700000000, -0.0023770200000000, 0.0003466400000000 ] - [ -0.0003034900000000, -0.0024803100000000, 0.0002117000000000 ] - [ 0.0003052000000000, -0.0015611700000000, 0.0000140400000000 ] - [ -0.0001900700000000, -0.0019390000000000, 0.0002463700000000 ] - [ -0.0013487800000000, 0.0007849000000000, -0.0013073100000000 ] - [ 0.0006688000000000, -0.0001859400000000, -0.0018047600000000 ] - [ -0.0024484300000000, 0.0037267000000000, 0.0009529700000000 ] - [ -0.0044059300000000, 0.0103800400000000, -0.0017053700000000 ] - [ 0.0004399600000000, -0.0021025800000000, -0.0001049800000000 ] - [ 0.0001430000000000, -0.0022650600000000, -0.0000088800000000 ] - [ 0.0005834900000000, 0.0004945200000000, 0.0006017900000000 ] - [ -0.0005382600000000, 0.0007098100000000, 0.0004821800000000 ] - [ -0.0004962800000000, -0.0013165300000000, -0.0000615100000000 ] - [ 0.0000660000000000, -0.0014378600000000, -0.0001309300000000 ] - [ -0.0045841600000000, 0.0047003200000000, -0.0004226000000000 ] - [ -0.0031022300000000, 0.0116095800000000, 0.0045998600000000 ] - [ 0.0007287200000000, -0.0017260400000000, -0.0001343500000000 ] - [ 0.0007137900000000, -0.0018291200000000, -0.0001723200000000 ] - [ 0.0013633900000000, 0.0035798300000000, -0.0003061500000000 ] - [ 0.0021440400000000, 0.0045601100000000, 0.0036890000000000 ] - [ -0.0007312900000000, -0.0012432200000000, -0.0000746500000000 ] - [ -0.0007780800000000, -0.0014141800000000, -0.0001096200000000 ] - [ 0.0000089100000000, 0.0013550800000000, -0.0007460700000000 ] - [ -0.0005689900000000, 0.0018267100000000, -0.0034514100000000 ] - [ 0.0006975300000000, -0.0016520000000000, 0.0001232200000000 ] - [ 0.0009899700000000, -0.0020727900000000, 0.0003426800000000 ] - [ 0.0015623700000000, 0.0032297300000000, 0.0000806500000000 ] - [ -0.0003384200000000, 0.0047488300000000, 0.0005888900000000 ] - [ 0.0000036400000000, -0.0023044000000000, 0.0003518500000000 ] - [ 0.0001316700000000, -0.0025524500000000, 0.0004643300000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003744500000000, 0.0063637500000000, -0.0044939900000000 ] - [ 0.0001272400000000, 0.0041875900000000, -0.0015261500000000 ] - [ 0.0000517900000000, -0.0036941800000000, -0.0002891600000000 ] - [ 0.0000715400000000, -0.0032882800000000, -0.0002114300000000 ] - [ -0.0024092200000000, 0.1226256300000000, 0.0011554300000000 ] - [ -0.0002990400000000, 0.0112938700000000, 0.0020374100000000 ] - [ 0.0001360700000000, -0.0042448500000000, -0.0003074500000000 ] - [ 0.0000212100000000, -0.0037842700000000, -0.0003584900000000 ] - [ 0.0009074200000000, -0.0019699500000000, -0.0004943300000000 ] - [ -0.0007936000000000, -0.0014220200000000, -0.0003595700000000 ] - [ -0.0015668700000000, -0.0020457800000000, -0.0007822000000000 ] - [ 0.0019084600000000, -0.0015795300000000, 0.0003240000000000 ] - [ 0.0009470900000000, -0.0047333900000000, -0.0006239400000000 ] - [ -0.0008873500000000, -0.0041475100000000, -0.0001819700000000 ] - [ -0.0113225600000000, -0.0095600200000000, 0.0079805100000000 ] - [ 0.0079815800000000, -0.0045086100000000, 0.0015280900000000 ] - [ 0.0046749200000000, 0.0066640800000000, 0.0087433300000000 ] - [ -0.0011826800000000, 0.0080415000000000, 0.0042048400000000 ] - [ -0.0001820100000000, -0.0031789100000000, -0.0001353300000000 ] - [ 0.0002352600000000, -0.0031150900000000, -0.0000768400000000 ] - [ 0.0027660700000000, 0.0146909300000000, -0.0048002000000000 ] - [ -0.0010770300000000, 0.0146823400000000, -0.0054673300000000 ] - [ -0.0002325400000000, -0.0037480500000000, 0.0000747500000000 ] - [ -0.0000143300000000, -0.0037481600000000, 0.0000683000000000 ] - [ 0.0010803800000000, -0.0026390400000000, 0.0022086900000000 ] - [ -0.0009386100000000, -0.0059384200000000, 0.0053315000000000 ] - [ -0.0012190800000000, -0.0026459400000000, -0.0012698600000000 ] - [ 0.0007512200000000, -0.0059234400000000, -0.0020729500000000 ] - [ 0.0009838000000000, -0.0017703700000000, -0.0021591500000000 ] - [ -0.0020713800000000, -0.0146303600000000, -0.0096669100000000 ] - [ -0.0005351600000000, -0.0026023100000000, 0.0008882700000000 ] - [ 0.0005953400000000, -0.0058722200000000, 0.0008785700000000 ] - [ 0.0004388000000000, 0.0039787300000000, -0.0023342800000000 ] - [ 0.0008239300000000, 0.0029359800000000, -0.0004103400000000 ] - [ 0.0001654400000000, -0.0045150000000000, 0.0003823900000000 ] - [ -0.0000860800000000, -0.0036811500000000, -0.0000258700000000 ] - [ 0.0292229200000000, -0.0228881200000000, 0.0013377600000000 ] - [ -0.0195200500000000, -0.0085015900000000, 0.0054144000000000 ] - [ -0.0009299900000000, -0.0052859200000000, 0.0000080200000000 ] - [ 0.0005758100000000, -0.0044898400000000, 0.0001192800000000 ] - [ -0.0169270400000000, -0.0002588000000000, -0.0200894800000000 ] - [ 0.0119152300000000, -0.0009195600000000, -0.0084370700000000 ] - [ 0.0005112900000000, -0.0043742700000000, 0.0004817900000000 ] - [ -0.0004024400000000, -0.0043463300000000, 0.0005400700000000 ] - [ 0.0002522900000000, -0.0039331800000000, -0.0006588400000000 ] - [ -0.0002647500000000, -0.0051658100000000, -0.0012369200000000 ] - [ -0.0011273900000000, 0.0038486300000000, 0.0011081500000000 ] - [ 0.0003507200000000, -0.0067244300000000, 0.0230342900000000 ] - [ -0.0003093700000000, 0.0039209600000000, 0.0007933300000000 ] - [ -0.0000471700000000, 0.0017531900000000, 0.0003749200000000 ] - [ 0.0003413800000000, 0.0050003200000000, -0.0042247900000000 ] - [ -0.0009823400000000, -0.0004898500000000, -0.0009674700000000 ] - [ 0.0000851600000000, 0.0012760000000000, 0.0002858000000000 ] - [ 0.0001913100000000, 0.0009897700000000, 0.0000266900000000 ] - [ 0.0000594900000000, -0.0001088100000000, -0.0015308300000000 ] - [ -0.0008909000000000, -0.0012813000000000, -0.0000604200000000 ] - [ -0.0005270400000000, 0.0006824900000000, 0.0025190700000000 ] - [ 0.0001940200000000, 0.0000740800000000, 0.0008690600000000 ] - [ -0.0001090900000000, 0.0020245400000000, -0.0006929100000000 ] - [ -0.0002762400000000, 0.0014587600000000, -0.0001536900000000 ] - [ -0.0004658400000000, 0.0070286100000000, -0.0018988000000000 ] - [ 0.0011252300000000, 0.0005686400000000, -0.0005462900000000 ] - [ 0.0007330400000000, 0.0026315100000000, -0.0004159200000000 ] - [ -0.0001091900000000, 0.0014081900000000, -0.0004058300000000 ] - [ 0.0016887700000000, -0.0149383200000000, 0.0023558000000000 ] - [ -0.0001943600000000, -0.0030145100000000, -0.0004796500000000 ] - [ -0.0006295000000000, 0.0026702300000000, -0.0001573800000000 ] - [ -0.0003726500000000, 0.0021686900000000, -0.0001108900000000 ] - [ -0.0000542900000000, -0.0003462300000000, -0.0012664700000000 ] - [ -0.0000451000000000, -0.0008907300000000, -0.0003997400000000 ] - [ 0.0003065600000000, 0.0021050200000000, 0.0005474700000000 ] - [ 0.0001885700000000, 0.0016706400000000, 0.0005033700000000 ] - [ -0.0011679500000000, -0.0104018500000000, -0.0001265600000000 ] - [ 0.0048702200000000, -0.0022201600000000, 0.0022835100000000 ] - [ 0.0004038800000000, 0.0024505200000000, -0.0001289500000000 ] - [ 0.0000523900000000, 0.0019374200000000, -0.0001101200000000 ] - [ -0.0007829900000000, 0.0018667100000000, -0.0005748200000000 ] - [ -0.0002744700000000, 0.0013319800000000, -0.0004078600000000 ] - [ 0.0002523200000000, 0.0022199500000000, 0.0047703100000000 ] - [ -0.0010191600000000, -0.0007189800000000, 0.0007420100000000 ] - [ -0.0002426200000000, -0.0030323700000000, -0.0001118500000000 ] - [ 0.0000116600000000, -0.0015506100000000, -0.0004883500000000 ] - [ 0.0007686200000000, 0.0018335100000000, 0.0002729700000000 ] - [ 0.0005479200000000, 0.0014875200000000, 0.0002665500000000 ] - [ 0.0048515400000000, -0.0128158100000000, 0.0043745900000000 ] - [ 0.0038329200000000, -0.0041076100000000, -0.0029457700000000 ] - [ -0.0007429700000000, 0.0016887900000000, 0.0001538900000000 ] - [ -0.0009070400000000, 0.0013974700000000, 0.0000196300000000 ] - [ -0.0090814400000000, -0.0176269500000000, -0.0034600200000000 ] - [ -0.0040025800000000, -0.0026819400000000, -0.0008568500000000 ] - [ 0.0008100400000000, 0.0021541100000000, -0.0002837700000000 ] - [ 0.0010870900000000, 0.0020232700000000, -0.0002565600000000 ] - [ 0.0014756400000000, -0.0070261800000000, 0.0036692600000000 ] - [ -0.0029078000000000, -0.0036341300000000, 0.0022296800000000 ] - [ 0.0000044700000000, 0.0025801100000000, -0.0004812400000000 ] - [ 0.0001436900000000, 0.0024449900000000, -0.0004691300000000 ] - [ -0.0035216500000000, 0.0037317100000000, 0.0011341000000000 ] - [ 0.0026105000000000, 0.0054332500000000, 0.0009521600000000 ] - [ 0.0006722500000000, 0.0034879300000000, 0.0003512700000000 ] - [ -0.0005704100000000, 0.0027023800000000, 0.0004122600000000 ] - [ -0.0044784600000000, 0.0027486000000000, -0.0026694400000000 ] - [ 0.0030581600000000, 0.0027419500000000, -0.0043971400000000 ] - [ -0.0004987600000000, 0.0019757800000000, 0.0004294700000000 ] - [ -0.0011747200000000, 0.0022758900000000, 0.0001107500000000 ] - [ 0.0002679800000000, 0.0014337200000000, -0.0005269400000000 ] - [ 0.0011565900000000, 0.0019119600000000, -0.0003580200000000 ] - [ 0.0052174600000000, 0.0033939700000000, 0.0016689200000000 ] - [ -0.0034351200000000, 0.0019862800000000, 0.0027408200000000 ] - [ -0.0008478200000000, 0.0014776900000000, 0.0003202000000000 ] - [ -0.0001944000000000, 0.0016947800000000, 0.0006131400000000 ] - [ 0.0014709400000000, -0.0007057900000000, -0.0011230800000000 ] - [ -0.0020351800000000, 0.0019913300000000, -0.0025395700000000 ] - [ -0.0077041900000000, -0.0039231900000000, 0.0021398700000000 ] - [ -0.0033362700000000, -0.0126415800000000, -0.0022535300000000 ] - [ 0.0007334400000000, 0.0019451900000000, -0.0000389400000000 ] - [ 0.0002821300000000, 0.0020484300000000, 0.0000954700000000 ] - [ -0.0003899500000000, 0.0015608600000000, -0.0002904100000000 ] - [ 0.0001108600000000, 0.0019429400000000, -0.0005237700000000 ] - [ 0.0012619600000000, -0.0007830000000000, 0.0010293800000000 ] - [ -0.0007566200000000, 0.0002361700000000, 0.0015448900000000 ] - [ 0.0025309900000000, -0.0037250400000000, -0.0012194300000000 ] - [ 0.0041838900000000, -0.0101800700000000, 0.0011375000000000 ] - [ -0.0003601300000000, 0.0021089800000000, -0.0001686000000000 ] - [ -0.0000600600000000, 0.0022717100000000, -0.0002650900000000 ] - [ -0.0005616200000000, -0.0000657100000000, -0.0002965200000000 ] - [ 0.0005638200000000, -0.0002854000000000, -0.0001790900000000 ] - [ 0.0005223900000000, 0.0017589700000000, 0.0003690900000000 ] - [ -0.0000373300000000, 0.0018838200000000, 0.0004379400000000 ] - [ 0.0050038500000000, -0.0048542900000000, 0.0006399500000000 ] - [ 0.0032952900000000, -0.0115993100000000, -0.0040767000000000 ] - [ -0.0003221700000000, 0.0015877600000000, 0.0003544900000000 ] - [ -0.0003057500000000, 0.0016901800000000, 0.0003916700000000 ] - [ -0.0018096800000000, -0.0029069200000000, 0.0003970500000000 ] - [ -0.0025997100000000, -0.0038926500000000, -0.0036135100000000 ] - [ 0.0002886600000000, 0.0019258700000000, 0.0001610300000000 ] - [ 0.0003370100000000, 0.0020982000000000, 0.0001962100000000 ] - [ 0.0004547800000000, -0.0017437400000000, 0.0009846600000000 ] - [ 0.0010357800000000, -0.0022245500000000, 0.0037091200000000 ] - [ -0.0002400900000000, 0.0012780900000000, 0.0001135500000000 ] - [ -0.0005305700000000, 0.0016973400000000, -0.0001044300000000 ] - [ -0.0013030500000000, -0.0036761200000000, 0.0002359500000000 ] - [ 0.0006053800000000, -0.0052117400000000, -0.0002687600000000 ] - [ 0.0002603100000000, 0.0018743300000000, -0.0000351000000000 ] - [ 0.0001332800000000, 0.0021230600000000, -0.0001476200000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0011995600000000, 0.0039718800000000, 0.0217694700000000 ] - [ -0.0012665600000000, 0.0001849400000000, 0.0034163300000000 ] - [ 0.0000302900000000, -0.0001434700000000, 0.0000475500000000 ] - [ 0.0000343900000000, -0.0001825800000000, -0.0000224200000000 ] - [ -0.0131263000000000, -0.0017846800000000, -0.1113760200000000 ] - [ 0.0000195000000000, -0.0022690500000000, -0.0051957400000000 ] - [ -0.0000818000000000, 0.0000868300000000, -0.0005615600000000 ] - [ -0.0000436900000000, 0.0001370900000000, -0.0004712700000000 ] - [ -0.0003599500000000, -0.0002716100000000, 0.0011738900000000 ] - [ 0.0001052000000000, -0.0001386900000000, 0.0008225500000000 ] - [ -0.0012196500000000, -0.0005553900000000, 0.0033512900000000 ] - [ -0.0001469100000000, 0.0005545100000000, 0.0041234900000000 ] - [ -0.0000301000000000, 0.0009675800000000, -0.0008487300000000 ] - [ 0.0002463800000000, 0.0013287100000000, -0.0007289800000000 ] - [ -0.0057777200000000, -0.0037058300000000, -0.0101424400000000 ] - [ 0.0048651100000000, -0.0044500800000000, -0.0073516400000000 ] - [ 0.0048959700000000, -0.0031798900000000, 0.0083418000000000 ] - [ -0.0049546900000000, -0.0064641300000000, 0.0041472100000000 ] - [ 0.0000335300000000, 0.0006119500000000, 0.0003044100000000 ] - [ -0.0000179200000000, 0.0007077200000000, 0.0003828800000000 ] - [ -0.0151126800000000, 0.0056737000000000, 0.0097868800000000 ] - [ 0.0126057900000000, 0.0050078700000000, 0.0097944200000000 ] - [ -0.0001654000000000, 0.0001575600000000, 0.0003451000000000 ] - [ 0.0001749200000000, 0.0001513400000000, 0.0003448100000000 ] - [ 0.0011694500000000, -0.0014918300000000, 0.0000986400000000 ] - [ -0.0008069200000000, -0.0023113200000000, 0.0003097900000000 ] - [ 0.0000710500000000, 0.0019807400000000, 0.0001003700000000 ] - [ 0.0010206800000000, 0.0050916300000000, 0.0003192700000000 ] - [ -0.0001454200000000, 0.0004412800000000, 0.0001190600000000 ] - [ 0.0009886700000000, 0.0086991500000000, 0.0008251200000000 ] - [ -0.0001353200000000, -0.0006853400000000, 0.0000596400000000 ] - [ 0.0003529000000000, -0.0033710800000000, -0.0002351200000000 ] - [ -0.0001820100000000, -0.0014917100000000, 0.0092992100000000 ] - [ 0.0005844800000000, -0.0002605600000000, 0.0038405400000000 ] - [ 0.0002808000000000, 0.0000389000000000, 0.0016951900000000 ] - [ -0.0000398000000000, 0.0002307000000000, 0.0007205500000000 ] - [ -0.0014411000000000, -0.0067198600000000, -0.0286231400000000 ] - [ 0.0058675700000000, 0.0038457800000000, -0.0100536000000000 ] - [ -0.0001326000000000, 0.0003986300000000, -0.0010279500000000 ] - [ 0.0000549300000000, 0.0005294900000000, -0.0014427400000000 ] - [ 0.0110134500000000, 0.0090444600000000, 0.0066727100000000 ] - [ -0.0234379800000000, 0.0190785000000000, 0.0061758100000000 ] - [ -0.0000479000000000, -0.0001649800000000, -0.0003283300000000 ] - [ 0.0001302900000000, 0.0000161300000000, -0.0005044200000000 ] - [ -0.0000262800000000, 0.0002833000000000, 0.0002183900000000 ] - [ -0.0000917200000000, 0.0006998900000000, 0.0004270200000000 ] - [ -0.0007031700000000, -0.0017796900000000, 0.0018978400000000 ] - [ 0.0079046000000000, -0.0274759200000000, 0.0294950000000000 ] - [ 0.0002185800000000, -0.0014518400000000, -0.0000833300000000 ] - [ -0.0001522800000000, -0.0005777800000000, -0.0002718000000000 ] - [ 0.0012969800000000, 0.0084237000000000, 0.0013938800000000 ] - [ -0.0006088300000000, 0.0003231500000000, -0.0001798800000000 ] - [ -0.0000938400000000, -0.0003003000000000, -0.0004285000000000 ] - [ -0.0001776100000000, -0.0002246200000000, -0.0003659700000000 ] - [ 0.0007552300000000, 0.0017532900000000, -0.0080678700000000 ] - [ -0.0000020600000000, -0.0000652100000000, -0.0018696900000000 ] - [ 0.0009754900000000, -0.0003289700000000, -0.0022244300000000 ] - [ 0.0003987100000000, 0.0000568400000000, -0.0008919400000000 ] - [ 0.0004268100000000, 0.0008755300000000, -0.0010024100000000 ] - [ 0.0004265000000000, 0.0002323200000000, -0.0005482000000000 ] - [ 0.0008254100000000, 0.0014184600000000, 0.0048041200000000 ] - [ -0.0006812600000000, -0.0001622500000000, 0.0013160300000000 ] - [ -0.0004184800000000, -0.0004426100000000, 0.0014376100000000 ] - [ -0.0004684500000000, -0.0003681300000000, 0.0007593000000000 ] - [ -0.0010815100000000, 0.0031398100000000, 0.0069719300000000 ] - [ -0.0023074800000000, 0.0012536800000000, 0.0002630100000000 ] - [ 0.0000704200000000, -0.0000667300000000, -0.0002156100000000 ] - [ -0.0000797200000000, 0.0000364100000000, -0.0002123500000000 ] - [ 0.0003347100000000, 0.0014632300000000, -0.0018753500000000 ] - [ 0.0003796300000000, 0.0007395900000000, -0.0006272200000000 ] - [ -0.0002852000000000, -0.0006423900000000, -0.0007338900000000 ] - [ -0.0001142300000000, -0.0003642800000000, -0.0003251900000000 ] - [ 0.0042924600000000, -0.0059882000000000, 0.0144654700000000 ] - [ -0.0032046900000000, -0.0003035200000000, 0.0009165700000000 ] - [ 0.0003069400000000, 0.0001636400000000, 0.0004504800000000 ] - [ -0.0000354100000000, -0.0000018000000000, 0.0002861400000000 ] - [ -0.0000555900000000, 0.0000336800000000, -0.0001730000000000 ] - [ -0.0003513600000000, 0.0001259300000000, -0.0001762900000000 ] - [ -0.0007904700000000, -0.0029494100000000, -0.0028449200000000 ] - [ 0.0013661400000000, -0.0016592900000000, -0.0010290900000000 ] - [ -0.0002818200000000, -0.0010572000000000, -0.0048419800000000 ] - [ -0.0009612200000000, -0.0004528800000000, -0.0034733900000000 ] - [ 0.0002590600000000, 0.0000583900000000, -0.0004213300000000 ] - [ 0.0001424800000000, -0.0000767800000000, -0.0003612600000000 ] - [ 0.0031330300000000, -0.0009584100000000, 0.0176053700000000 ] - [ -0.0001505400000000, 0.0014250600000000, 0.0033566200000000 ] - [ -0.0000876600000000, -0.0004774200000000, 0.0001648100000000 ] - [ -0.0000566800000000, -0.0005768500000000, 0.0001417400000000 ] - [ 0.0062760000000000, 0.0055549300000000, 0.0102999200000000 ] - [ 0.0050111000000000, -0.0008721700000000, 0.0052252800000000 ] - [ 0.0003193500000000, 0.0002018500000000, 0.0001573700000000 ] - [ 0.0002188800000000, 0.0001009100000000, 0.0001976200000000 ] - [ -0.0023903300000000, -0.0008630700000000, -0.0032533600000000 ] - [ 0.0067210800000000, 0.0015128100000000, -0.0052809800000000 ] - [ 0.0001767700000000, 0.0002047900000000, -0.0001655200000000 ] - [ 0.0001319200000000, 0.0001781600000000, -0.0001403700000000 ] - [ 0.0018870900000000, -0.0023236600000000, 0.0012532800000000 ] - [ -0.0016986600000000, -0.0027881900000000, 0.0005875800000000 ] - [ 0.0000767700000000, 0.0009847100000000, 0.0004983500000000 ] - [ -0.0003611500000000, 0.0010034600000000, 0.0011440100000000 ] - [ -0.0044149400000000, 0.0041643700000000, 0.0000144100000000 ] - [ 0.0016625800000000, 0.0012544200000000, 0.0038169200000000 ] - [ 0.0001210900000000, -0.0003647900000000, 0.0004820500000000 ] - [ 0.0003254500000000, -0.0008655800000000, 0.0006509800000000 ] - [ 0.0003909200000000, -0.0000002300000000, 0.0004520600000000 ] - [ 0.0003987600000000, -0.0001617100000000, 0.0004807300000000 ] - [ -0.0013470800000000, -0.0027273900000000, 0.0014553000000000 ] - [ 0.0021790600000000, -0.0062084400000000, 0.0043897500000000 ] - [ -0.0001992700000000, -0.0001127800000000, -0.0002221500000000 ] - [ -0.0002742000000000, -0.0003465200000000, -0.0002839400000000 ] - [ 0.0001227700000000, 0.0009115900000000, -0.0002913300000000 ] - [ -0.0027039700000000, 0.0040700800000000, -0.0031281300000000 ] - [ 0.0016939100000000, 0.0001818400000000, 0.0050174400000000 ] - [ -0.0014559100000000, -0.0016548600000000, 0.0091251200000000 ] - [ 0.0000686100000000, -0.0001958900000000, 0.0003480800000000 ] - [ -0.0002085900000000, -0.0000484100000000, 0.0005494600000000 ] - [ 0.0000540100000000, 0.0001391100000000, -0.0002400500000000 ] - [ -0.0000292000000000, 0.0000837700000000, -0.0001953500000000 ] - [ -0.0006637700000000, -0.0014334600000000, -0.0009221300000000 ] - [ 0.0008735000000000, -0.0053313700000000, -0.0051728600000000 ] - [ 0.0018844700000000, 0.0005065200000000, 0.0012970500000000 ] - [ 0.0030457800000000, -0.0008778700000000, 0.0088951200000000 ] - [ 0.0000775500000000, -0.0001734100000000, -0.0001151400000000 ] - [ 0.0000658900000000, -0.0002733800000000, -0.0001154700000000 ] - [ -0.0003685000000000, 0.0008292000000000, -0.0009054500000000 ] - [ 0.0003935500000000, 0.0011247500000000, -0.0011771200000000 ] - [ 0.0001880900000000, 0.0000329300000000, -0.0002600600000000 ] - [ -0.0001209200000000, -0.0005575900000000, -0.0007472900000000 ] - [ -0.0026196900000000, -0.0000351100000000, 0.0001570100000000 ] - [ -0.0053251900000000, 0.0014455500000000, 0.0192675600000000 ] - [ 0.0001840300000000, -0.0000495900000000, 0.0001692300000000 ] - [ 0.0001724100000000, -0.0000958800000000, 0.0002000100000000 ] - [ 0.0013894600000000, 0.0013131700000000, -0.0023417000000000 ] - [ -0.0012640300000000, 0.0002595300000000, -0.0097010700000000 ] - [ -0.0001954000000000, 0.0002550300000000, -0.0000966100000000 ] - [ -0.0002092200000000, 0.0002000900000000, -0.0001371000000000 ] - [ 0.0019341100000000, -0.0014680100000000, -0.0017886400000000 ] - [ 0.0012291900000000, -0.0023602300000000, -0.0046510700000000 ] - [ 0.0003328000000000, -0.0002700300000000, -0.0000943200000000 ] - [ 0.0001098000000000, 0.0000040300000000, -0.0004790800000000 ] - [ -0.0014575000000000, 0.0005946200000000, -0.0013276900000000 ] - [ 0.0000544100000000, 0.0031730300000000, -0.0056456000000000 ] - [ 0.0001345800000000, -0.0003696600000000, 0.0001011300000000 ] - [ 0.0000836400000000, -0.0005043900000000, 0.0000464000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0010914500000000, -0.0043746700000000, -0.0220497000000000 ] - [ 0.0013533800000000, -0.0006599700000000, -0.0038313300000000 ] - [ 0.0000612000000000, -0.0003223600000000, -0.0004628200000000 ] - [ 0.0000555100000000, -0.0002836500000000, -0.0003928800000000 ] - [ 0.0134651900000000, 0.0005325300000000, 0.1113969200000000 ] - [ -0.0000606200000000, 0.0021827800000000, 0.0048044900000000 ] - [ 0.0000522100000000, -0.0001423100000000, 0.0001755400000000 ] - [ 0.0000128800000000, -0.0001934400000000, 0.0000851500000000 ] - [ 0.0003929900000000, 0.0003297000000000, -0.0015564400000000 ] - [ -0.0000793200000000, 0.0001940900000000, -0.0012043600000000 ] - [ 0.0012587300000000, 0.0006269800000000, -0.0037371000000000 ] - [ 0.0001684200000000, -0.0004830600000000, -0.0045070400000000 ] - [ -0.0000623600000000, -0.0004852300000000, 0.0004342000000000 ] - [ -0.0003357100000000, -0.0008463000000000, 0.0003126400000000 ] - [ 0.0056817400000000, 0.0041496400000000, 0.0097889100000000 ] - [ -0.0049557400000000, 0.0049139400000000, 0.0069363400000000 ] - [ -0.0047757900000000, 0.0036189500000000, -0.0079441000000000 ] - [ 0.0049892900000000, 0.0068884700000000, -0.0037329000000000 ] - [ 0.0000587800000000, -0.0001376400000000, 0.0001102700000000 ] - [ 0.0001084400000000, -0.0002322300000000, 0.0000331400000000 ] - [ 0.0151794900000000, -0.0056641400000000, -0.0094090800000000 ] - [ -0.0127512200000000, -0.0049970300000000, -0.0094010200000000 ] - [ 0.0001357800000000, -0.0000897800000000, 0.0000418100000000 ] - [ -0.0002057400000000, -0.0000825400000000, 0.0000415300000000 ] - [ -0.0011442200000000, 0.0014345200000000, 0.0002775200000000 ] - [ 0.0008393000000000, 0.0022488500000000, 0.0000542700000000 ] - [ -0.0000480500000000, -0.0020416600000000, 0.0002792300000000 ] - [ -0.0009812700000000, -0.0051416400000000, 0.0000637600000000 ] - [ 0.0000514300000000, -0.0009035200000000, 0.0003074300000000 ] - [ -0.0010753100000000, -0.0091524300000000, -0.0003574800000000 ] - [ 0.0000420400000000, 0.0002168900000000, 0.0003566100000000 ] - [ -0.0004436400000000, 0.0029119300000000, 0.0006506500000000 ] - [ 0.0002754500000000, 0.0011776800000000, -0.0090077200000000 ] - [ -0.0005328400000000, 0.0000047700000000, -0.0035596500000000 ] - [ -0.0002198100000000, -0.0002771300000000, -0.0014196600000000 ] - [ 0.0000983400000000, -0.0004714200000000, -0.0004436200000000 ] - [ 0.0013175700000000, 0.0070397700000000, 0.0288585600000000 ] - [ -0.0058424900000000, -0.0035330900000000, 0.0102690700000000 ] - [ 0.0000765700000000, -0.0001491600000000, 0.0013039000000000 ] - [ -0.0001181100000000, -0.0002749200000000, 0.0017180700000000 ] - [ -0.0109466500000000, -0.0087769200000000, -0.0070609800000000 ] - [ 0.0233252800000000, -0.0187068600000000, -0.0063888700000000 ] - [ 0.0001079800000000, 0.0004176200000000, 0.0000481800000000 ] - [ -0.0000711800000000, 0.0002358800000000, 0.0002248400000000 ] - [ -0.0000338200000000, -0.0005239400000000, -0.0004904900000000 ] - [ 0.0000327800000000, -0.0009386300000000, -0.0006971600000000 ] - [ 0.0006373700000000, 0.0015307400000000, -0.0021680600000000 ] - [ -0.0080257400000000, 0.0274893100000000, -0.0299322000000000 ] - [ -0.0004831200000000, 0.0010047600000000, -0.0002367600000000 ] - [ -0.0001125500000000, 0.0001357700000000, -0.0000483000000000 ] - [ -0.0015675000000000, -0.0088962300000000, -0.0017265000000000 ] - [ 0.0003481400000000, -0.0007595300000000, -0.0001378500000000 ] - [ -0.0003663300000000, -0.0000796400000000, 0.0001910700000000 ] - [ -0.0002821100000000, -0.0001549600000000, 0.0001289600000000 ] - [ -0.0012285400000000, -0.0021425500000000, 0.0078057900000000 ] - [ -0.0004544800000000, -0.0003129500000000, 0.0016314300000000 ] - [ -0.0005385100000000, 0.0010178600000000, 0.0021232200000000 ] - [ 0.0000446900000000, 0.0006257200000000, 0.0007993100000000 ] - [ 0.0000152300000000, -0.0001990600000000, 0.0009171600000000 ] - [ 0.0000184800000000, 0.0004451900000000, 0.0004607800000000 ] - [ -0.0012388900000000, -0.0015793800000000, -0.0050154200000000 ] - [ 0.0002713300000000, 0.0000176900000000, -0.0015306400000000 ] - [ 0.0000063700000000, 0.0002992000000000, -0.0016576700000000 ] - [ 0.0000625600000000, 0.0002251400000000, -0.0009784800000000 ] - [ 0.0015180300000000, -0.0022793500000000, -0.0082344500000000 ] - [ 0.0022894900000000, -0.0008141900000000, -0.0005724800000000 ] - [ -0.0000945800000000, 0.0004986900000000, -0.0000929400000000 ] - [ 0.0000555400000000, 0.0003959800000000, -0.0000962300000000 ] - [ -0.0004238000000000, -0.0014486700000000, 0.0021529400000000 ] - [ -0.0004563600000000, -0.0007300200000000, 0.0009024500000000 ] - [ 0.0002006000000000, 0.0006411400000000, 0.0010082500000000 ] - [ 0.0000324900000000, 0.0003642000000000, 0.0006010600000000 ] - [ -0.0040249200000000, 0.0057146700000000, -0.0144854800000000 ] - [ 0.0032593700000000, 0.0003066600000000, -0.0006552500000000 ] - [ -0.0002256000000000, -0.0001689000000000, -0.0001759300000000 ] - [ 0.0001194500000000, -0.0000035100000000, -0.0000103200000000 ] - [ 0.0000809200000000, -0.0004710800000000, -0.0001328100000000 ] - [ 0.0003777600000000, -0.0005639500000000, -0.0001299200000000 ] - [ 0.0008023400000000, 0.0025094200000000, 0.0025574800000000 ] - [ -0.0013299300000000, 0.0012173300000000, 0.0007187000000000 ] - [ 0.0006724800000000, 0.0012116900000000, 0.0046238300000000 ] - [ 0.0013771100000000, 0.0005995600000000, 0.0032523900000000 ] - [ 0.0001477200000000, 0.0000817200000000, 0.0002011900000000 ] - [ 0.0002650600000000, 0.0002170100000000, 0.0001407800000000 ] - [ -0.0032162100000000, -0.0000305800000000, -0.0174426800000000 ] - [ -0.0002991900000000, -0.0020940200000000, -0.0034138800000000 ] - [ -0.0003545100000000, -0.0002059900000000, -0.0002514700000000 ] - [ -0.0003840900000000, -0.0001068900000000, -0.0002280200000000 ] - [ -0.0056945500000000, -0.0050231600000000, -0.0106171700000000 ] - [ -0.0045310700000000, 0.0012527400000000, -0.0054511000000000 ] - [ 0.0001407600000000, 0.0001744600000000, -0.0003911700000000 ] - [ 0.0002413800000000, 0.0002754200000000, -0.0004311300000000 ] - [ 0.0026034900000000, 0.0012802100000000, 0.0029413100000000 ] - [ -0.0064496300000000, -0.0010916800000000, 0.0049715600000000 ] - [ 0.0000877400000000, 0.0002298400000000, -0.0001521500000000 ] - [ 0.0001329700000000, 0.0002556100000000, -0.0001766900000000 ] - [ -0.0021386500000000, 0.0027443900000000, -0.0009339400000000 ] - [ 0.0014233100000000, 0.0031938500000000, -0.0002732900000000 ] - [ -0.0003421000000000, -0.0005473500000000, -0.0001792500000000 ] - [ 0.0000983400000000, -0.0005709000000000, -0.0008262300000000 ] - [ 0.0039720100000000, -0.0037996800000000, 0.0002363700000000 ] - [ -0.0021145800000000, -0.0008739000000000, -0.0035443500000000 ] - [ -0.0005819700000000, 0.0007441000000000, -0.0002457600000000 ] - [ -0.0007846000000000, 0.0012398200000000, -0.0004154000000000 ] - [ 0.0000517500000000, -0.0006840500000000, -0.0003626100000000 ] - [ 0.0000437600000000, -0.0005210600000000, -0.0003907900000000 ] - [ 0.0018096500000000, 0.0020679400000000, -0.0013629300000000 ] - [ -0.0017262800000000, 0.0055077700000000, -0.0042920000000000 ] - [ -0.0002084800000000, 0.0002536900000000, 0.0004386100000000 ] - [ -0.0001341500000000, 0.0004874700000000, 0.0004992200000000 ] - [ -0.0005301300000000, -0.0007676500000000, 0.0005036800000000 ] - [ 0.0022995600000000, -0.0039264200000000, 0.0033379300000000 ] - [ -0.0016946800000000, -0.0006094200000000, -0.0047209400000000 ] - [ 0.0013632200000000, 0.0011839800000000, -0.0089091300000000 ] - [ -0.0000945800000000, -0.0002422800000000, -0.0000399400000000 ] - [ 0.0001829200000000, -0.0003921900000000, -0.0002411600000000 ] - [ -0.0001375100000000, -0.0001433200000000, -0.0000336400000000 ] - [ -0.0000530300000000, -0.0000861100000000, -0.0000770400000000 ] - [ 0.0005752600000000, 0.0014262000000000, 0.0006520600000000 ] - [ -0.0009387800000000, 0.0053251200000000, 0.0049040300000000 ] - [ -0.0018041400000000, -0.0005011600000000, -0.0015821800000000 ] - [ -0.0033607900000000, 0.0012063700000000, -0.0095306600000000 ] - [ 0.0000062100000000, 0.0001719300000000, -0.0001603000000000 ] - [ 0.0000172400000000, 0.0002713200000000, -0.0001599400000000 ] - [ 0.0003924800000000, -0.0003905400000000, 0.0012137900000000 ] - [ -0.0003640500000000, -0.0006695600000000, 0.0014910500000000 ] - [ -0.0001645300000000, 0.0004005700000000, 0.0005677900000000 ] - [ 0.0001449400000000, 0.0009897200000000, 0.0010542600000000 ] - [ 0.0030334300000000, -0.0001073900000000, 0.0000820600000000 ] - [ 0.0048820400000000, -0.0010246600000000, -0.0178554500000000 ] - [ 0.0002249000000000, -0.0000945600000000, 0.0000515200000000 ] - [ 0.0002364600000000, -0.0000491400000000, 0.0000201400000000 ] - [ -0.0018303400000000, -0.0006306800000000, 0.0024216500000000 ] - [ 0.0008457900000000, 0.0004009000000000, 0.0097886800000000 ] - [ -0.0002476100000000, 0.0004227800000000, 0.0001815300000000 ] - [ -0.0002335600000000, 0.0004779600000000, 0.0002223000000000 ] - [ -0.0014781800000000, 0.0010956700000000, 0.0020194300000000 ] - [ -0.0007620400000000, 0.0020160500000000, 0.0048836700000000 ] - [ 0.0001290800000000, -0.0001113300000000, 0.0003287700000000 ] - [ 0.0003522300000000, -0.0003868700000000, 0.0007148000000000 ] - [ 0.0017236400000000, -0.0010272600000000, 0.0016458000000000 ] - [ 0.0002138600000000, -0.0035639800000000, 0.0059132600000000 ] - [ 0.0001301700000000, -0.0000704300000000, 0.0002173700000000 ] - [ 0.0001804100000000, 0.0000635800000000, 0.0002720400000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0133414000000000, -0.0036112400000000, -0.0042500900000000 ] - [ 0.0050454000000000, 0.0002231000000000, -0.0008288100000000 ] - [ -0.0031414200000000, -0.0002051300000000, -0.0009071700000000 ] - [ 0.0023400100000000, -0.0001055800000000, 0.0001182900000000 ] - [ -0.0066432000000000, -0.0004414200000000, -0.0004218000000000 ] - [ 0.0053968600000000, -0.0008189200000000, 0.0003637000000000 ] - [ -0.0012963600000000, -0.0001674700000000, 0.0000578300000000 ] - [ 0.0010892000000000, 0.0000844100000000, -0.0002616000000000 ] - [ 0.0170491700000000, -0.0291865500000000, 0.0011837200000000 ] - [ 0.0202078100000000, 0.0194037900000000, -0.0060667700000000 ] - [ -0.0006280400000000, 0.0009349600000000, -0.0000883600000000 ] - [ 0.0007831700000000, -0.0005755300000000, -0.0002792200000000 ] - [ -0.0003163700000000, -0.0014511800000000, 0.0006368700000000 ] - [ 0.0009135200000000, 0.0020000700000000, -0.0006621200000000 ] - [ -0.0004792000000000, 0.0017375200000000, -0.0002131800000000 ] - [ 0.0006161500000000, -0.0007287800000000, -0.0000897300000000 ] - [ 0.0295834400000000, 0.0162196300000000, -0.0331645900000000 ] - [ 0.0294145200000000, -0.0158233100000000, 0.0224239400000000 ] - [ 0.0001090400000000, -0.0001671400000000, 0.0002522300000000 ] - [ -0.0000006400000000, 0.0008267800000000, 0.0001342600000000 ] - [ 0.0154578400000000, 0.0119306500000000, 0.0236101100000000 ] - [ 0.0163298200000000, -0.0169419900000000, -0.0107377700000000 ] - [ 0.0001156500000000, -0.0003993500000000, 0.0000914300000000 ] - [ -0.0000646500000000, 0.0005098600000000, 0.0002711900000000 ] - [ 0.0075942300000000, -0.0011408000000000, -0.0004916900000000 ] - [ -0.0278261200000000, 0.0003593900000000, 0.0081756700000000 ] - [ 0.0010127900000000, 0.0002507400000000, 0.0001957700000000 ] - [ -0.0010490600000000, -0.0002665900000000, 0.0001317600000000 ] - [ 0.0058177000000000, -0.0013056300000000, 0.0007923900000000 ] - [ -0.0224010800000000, 0.0126243100000000, -0.0053377700000000 ] - [ 0.0003846900000000, -0.0000331800000000, 0.0002492000000000 ] - [ -0.0005180700000000, -0.0002738500000000, 0.0001587200000000 ] - [ -0.4406133700000000, 0.0257656700000000, 0.0099368800000000 ] - [ 0.0219797200000000, 0.0001697800000000, 0.0003170100000000 ] - [ -0.0005789800000000, -0.0000884700000000, 0.0000829700000000 ] - [ 0.0006089100000000, 0.0000201200000000, 0.0001421400000000 ] - [ -0.0024291900000000, -0.0021205600000000, -0.0031598200000000 ] - [ 0.0053030200000000, 0.0017598400000000, 0.0025376100000000 ] - [ -0.0002207600000000, 0.0002956600000000, 0.0001543000000000 ] - [ 0.0001746500000000, 0.0000844400000000, 0.0001886800000000 ] - [ 0.0006758700000000, 0.0043866300000000, -0.0018610800000000 ] - [ 0.0006907100000000, -0.0032876200000000, 0.0010348700000000 ] - [ 0.0012634500000000, -0.0028939600000000, -0.0018605400000000 ] - [ 0.0012761100000000, 0.0030802600000000, 0.0030072700000000 ] - [ 0.0046862800000000, -0.0015320300000000, -0.0013869800000000 ] - [ -0.0065799300000000, -0.0003871600000000, 0.0012564200000000 ] - [ 0.0046856700000000, 0.0019551800000000, 0.0011120900000000 ] - [ -0.0065867000000000, -0.0016211400000000, -0.0023756500000000 ] - [ 0.0022506500000000, -0.0001493000000000, -0.0020370900000000 ] - [ -0.0018674300000000, -0.0001509000000000, -0.0003697000000000 ] - [ 0.0009153300000000, -0.0005983700000000, 0.0000324600000000 ] - [ -0.0011898800000000, -0.0001380700000000, -0.0002599400000000 ] - [ 0.0034645700000000, 0.0042989400000000, -0.0011910900000000 ] - [ -0.0044588500000000, -0.0029729900000000, 0.0022955400000000 ] - [ 0.0024959200000000, -0.0000315700000000, 0.0005249100000000 ] - [ -0.0017278800000000, -0.0007733500000000, 0.0000150100000000 ] - [ 0.0569800100000000, -0.0382167000000000, 0.0261124900000000 ] - [ -0.0063120800000000, 0.0018099900000000, 0.0014344200000000 ] - [ 0.0004838200000000, 0.0002127900000000, -0.0001242300000000 ] - [ -0.0000252800000000, 0.0003675100000000, 0.0000463900000000 ] - [ 0.0044219500000000, 0.0028760700000000, 0.0011841000000000 ] - [ -0.0033885500000000, -0.0015212200000000, -0.0000386900000000 ] - [ 0.0000446400000000, -0.0000845200000000, -0.0001895500000000 ] - [ -0.0004747900000000, -0.0001179200000000, -0.0000499000000000 ] - [ 0.0040148200000000, -0.0027053500000000, -0.0017678100000000 ] - [ -0.0039733400000000, 0.0029252600000000, 0.0001106800000000 ] - [ 0.0005276900000000, 0.0006081700000000, -0.0004845300000000 ] - [ -0.0004894100000000, -0.0001751300000000, 0.0001521200000000 ] - [ 0.0596987600000000, -0.0151876300000000, -0.0277230600000000 ] - [ -0.0095091400000000, -0.0004576100000000, -0.0001707100000000 ] - [ 0.0002143500000000, -0.0001066900000000, 0.0001629400000000 ] - [ -0.0003058700000000, 0.0000231600000000, 0.0001273400000000 ] - [ 0.0041642900000000, 0.0006656800000000, -0.0023904300000000 ] - [ -0.0030430300000000, -0.0006530900000000, 0.0004739400000000 ] - [ 0.0001744600000000, -0.0000193600000000, 0.0001433100000000 ] - [ -0.0000958700000000, -0.0000480800000000, 0.0001169500000000 ] - [ 0.0015446800000000, 0.0036659800000000, 0.0028739300000000 ] - [ -0.0023351500000000, -0.0011465300000000, -0.0019352300000000 ] - [ 0.0018405500000000, -0.0013942800000000, -0.0007724800000000 ] - [ -0.0010599000000000, 0.0007279200000000, -0.0000255200000000 ] - [ 0.0846433300000000, 0.0444005400000000, 0.0104327200000000 ] - [ -0.0103735700000000, 0.0001284900000000, -0.0007695200000000 ] - [ 0.0004201000000000, 0.0001874100000000, -0.0001008100000000 ] - [ -0.0000100600000000, -0.0000913300000000, -0.0000810200000000 ] - [ 0.0030650900000000, -0.0019958600000000, 0.0042614600000000 ] - [ -0.0037110500000000, 0.0006743000000000, -0.0032653400000000 ] - [ -0.0000819600000000, -0.0003006200000000, 0.0000432600000000 ] - [ -0.0003447300000000, -0.0004352400000000, -0.0001589600000000 ] - [ 0.0012972300000000, -0.0003167500000000, 0.0010965200000000 ] - [ -0.0007290300000000, 0.0005649500000000, -0.0007942400000000 ] - [ 0.0006863300000000, 0.0010154600000000, 0.0004815200000000 ] - [ -0.0001627400000000, -0.0004090200000000, -0.0004745900000000 ] - [ 0.0020578800000000, -0.0067398100000000, 0.0031156200000000 ] - [ -0.0018948900000000, 0.0049840700000000, -0.0006564200000000 ] - [ 0.0003503400000000, 0.0014945300000000, -0.0005151700000000 ] - [ -0.0006669000000000, -0.0011075000000000, 0.0000593400000000 ] - [ -0.0006944400000000, 0.0010075800000000, -0.0003168200000000 ] - [ 0.0002222300000000, -0.0014169600000000, 0.0009508000000000 ] - [ -0.0001581000000000, -0.0001994000000000, 0.0001170100000000 ] - [ -0.0001229100000000, 0.0005227400000000, 0.0001826200000000 ] - [ -0.0026050000000000, 0.0032927400000000, 0.0045711100000000 ] - [ -0.0015981800000000, -0.0008446500000000, -0.0053204400000000 ] - [ -0.0003020800000000, 0.0001577900000000, 0.0000952600000000 ] - [ -0.0001406400000000, 0.0001814000000000, 0.0001417300000000 ] - [ -0.0004059100000000, 0.0000538000000000, 0.0004104700000000 ] - [ 0.0015927600000000, 0.0003211600000000, 0.0000311100000000 ] - [ 0.0000788400000000, -0.0008786700000000, -0.0000009000000000 ] - [ 0.0003142400000000, 0.0004332800000000, -0.0001881200000000 ] - [ -0.0040358700000000, 0.0026478800000000, -0.0032444900000000 ] - [ 0.0032127300000000, -0.0037132100000000, 0.0033605900000000 ] - [ -0.0001922300000000, -0.0008093800000000, 0.0002091300000000 ] - [ -0.0004505200000000, 0.0013458800000000, 0.0002307700000000 ] - [ -0.0020244400000000, 0.0007786300000000, -0.0018545200000000 ] - [ 0.0004117200000000, -0.0001606300000000, 0.0036743800000000 ] - [ -0.0001527800000000, -0.0002617900000000, 0.0001488900000000 ] - [ 0.0001254300000000, -0.0002312000000000, 0.0001325400000000 ] - [ -0.0024179800000000, 0.0022632800000000, 0.0019091500000000 ] - [ 0.0005283500000000, -0.0058577900000000, -0.0033414400000000 ] - [ -0.0007660700000000, -0.0010118500000000, -0.0002995600000000 ] - [ 0.0002944700000000, 0.0006781600000000, -0.0002331300000000 ] - [ -0.0026614300000000, -0.0031812500000000, -0.0016979900000000 ] - [ 0.0017322500000000, 0.0018270000000000, 0.0012497900000000 ] - [ -0.0005666800000000, 0.0007058500000000, -0.0003134900000000 ] - [ 0.0007688500000000, -0.0007320100000000, 0.0002239100000000 ] - [ -0.0101008300000000, 0.0009541400000000, 0.0011619000000000 ] - [ 0.0707841200000000, 0.0253300300000000, 0.0161758800000000 ] - [ -0.0001827900000000, 0.0000242100000000, 0.0001280900000000 ] - [ 0.0001982000000000, 0.0003310300000000, 0.0001854700000000 ] - [ -0.0018900100000000, -0.0006287100000000, 0.0010840500000000 ] - [ 0.0002869100000000, 0.0018680700000000, -0.0012155000000000 ] - [ -0.0005327600000000, 0.0007179600000000, 0.0003593400000000 ] - [ 0.0012300500000000, -0.0013942600000000, -0.0006396600000000 ] - [ -0.0042536600000000, -0.0026005800000000, 0.0003826900000000 ] - [ 0.0043271000000000, 0.0060385200000000, 0.0006850700000000 ] - [ -0.0013342600000000, 0.0002736900000000, 0.0003046000000000 ] - [ 0.0009402400000000, 0.0001713700000000, -0.0002116600000000 ] - [ -0.0089866300000000, 0.0021809500000000, -0.0000978500000000 ] - [ 0.0776179800000000, -0.0205798800000000, -0.0543951400000000 ] - [ 0.0000698900000000, -0.0001654200000000, 0.0001514800000000 ] - [ 0.0004108800000000, -0.0002723600000000, 0.0001071300000000 ] - [ -0.0089192900000000, -0.0005105500000000, -0.0019565500000000 ] - [ 0.0466766100000000, -0.0207608800000000, 0.0234835800000000 ] - [ -0.0001378800000000, -0.0002991300000000, 0.0001301200000000 ] - [ 0.0003932200000000, -0.0002312200000000, 0.0002251000000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0134225500000000, 0.0031107200000000, 0.0038233700000000 ] - [ -0.0049599200000000, -0.0006617000000000, 0.0004091500000000 ] - [ 0.0032338700000000, -0.0002614200000000, 0.0004910700000000 ] - [ -0.0022472200000000, -0.0003694400000000, -0.0005346300000000 ] - [ 0.0066037200000000, 0.0003758800000000, 0.0000354300000000 ] - [ -0.0054303500000000, 0.0007633100000000, -0.0007543800000000 ] - [ 0.0012663700000000, 0.0001075400000000, -0.0004430200000000 ] - [ -0.0011184100000000, -0.0001480300000000, -0.0001239000000000 ] - [ -0.0170031800000000, 0.0290180100000000, -0.0015756900000000 ] - [ -0.0202198700000000, -0.0194495000000000, 0.0056438700000000 ] - [ 0.0006531300000000, -0.0008744800000000, -0.0002980700000000 ] - [ -0.0007483500000000, 0.0006395500000000, -0.0001069900000000 ] - [ 0.0002103400000000, 0.0019225500000000, -0.0010545200000000 ] - [ -0.0009972100000000, -0.0015319600000000, 0.0002527900000000 ] - [ 0.0003842900000000, -0.0012676500000000, -0.0002019300000000 ] - [ -0.0007043000000000, 0.0011992700000000, -0.0003252300000000 ] - [ -0.0292639800000000, -0.0155817700000000, 0.0332010500000000 ] - [ -0.0295076100000000, 0.0164467900000000, -0.0223121800000000 ] - [ -0.0000189100000000, 0.0006368600000000, 0.0001636800000000 ] - [ 0.0000935000000000, -0.0003566900000000, 0.0002810500000000 ] - [ -0.0154595700000000, -0.0117595400000000, -0.0231519800000000 ] - [ -0.0163475500000000, 0.0170509400000000, 0.0112230600000000 ] - [ -0.0001485300000000, 0.0004612900000000, 0.0002940800000000 ] - [ 0.0000358300000000, -0.0004487300000000, 0.0001146100000000 ] - [ -0.0075671100000000, 0.0010575000000000, 0.0008489200000000 ] - [ 0.0279039900000000, -0.0003902200000000, -0.0077537100000000 ] - [ -0.0009838100000000, -0.0003113800000000, 0.0001893100000000 ] - [ 0.0010795200000000, 0.0002012900000000, 0.0002553700000000 ] - [ -0.0059100300000000, 0.0008239500000000, -0.0003429700000000 ] - [ 0.0223517200000000, -0.0130555800000000, 0.0056623800000000 ] - [ -0.0004762200000000, -0.0004360400000000, 0.0001663900000000 ] - [ 0.0004271100000000, -0.0001965600000000, 0.0002564500000000 ] - [ 0.4401655100000000, -0.0265030200000000, -0.0098840800000000 ] - [ -0.0219213500000000, -0.0004296400000000, -0.0000462600000000 ] - [ 0.0006389900000000, -0.0001586300000000, 0.0001924000000000 ] - [ -0.0005496200000000, -0.0002671900000000, 0.0001341000000000 ] - [ 0.0023499900000000, 0.0023567900000000, 0.0034340500000000 ] - [ -0.0053312500000000, -0.0015169700000000, -0.0022826300000000 ] - [ 0.0001597300000000, -0.0000488500000000, 0.0001217500000000 ] - [ -0.0002327000000000, 0.0001622200000000, 0.0000875900000000 ] - [ -0.0006242900000000, -0.0041207500000000, 0.0015730300000000 ] - [ -0.0006095900000000, 0.0035427500000000, -0.0013195900000000 ] - [ -0.0012189000000000, 0.0031379700000000, 0.0015823900000000 ] - [ -0.0012058200000000, -0.0028343000000000, -0.0032875600000000 ] - [ -0.0047448700000000, 0.0012698900000000, 0.0011136900000000 ] - [ 0.0065412400000000, 0.0001484800000000, -0.0015251200000000 ] - [ -0.0047449400000000, -0.0021928300000000, -0.0013824000000000 ] - [ 0.0065345800000000, 0.0013765700000000, 0.0020991200000000 ] - [ -0.0025210900000000, -0.0003088800000000, 0.0017261800000000 ] - [ 0.0016015300000000, -0.0002773000000000, 0.0000510500000000 ] - [ -0.0011794600000000, 0.0001624500000000, -0.0003486600000000 ] - [ 0.0009254100000000, -0.0002984100000000, -0.0000582100000000 ] - [ -0.0039166600000000, -0.0046844600000000, 0.0009455900000000 ] - [ 0.0039984600000000, 0.0025997400000000, -0.0025327200000000 ] - [ -0.0029551000000000, -0.0003422900000000, -0.0007531000000000 ] - [ 0.0012669500000000, 0.0003903100000000, -0.0002548100000000 ] - [ -0.0563763000000000, 0.0379599300000000, -0.0254041300000000 ] - [ 0.0067647000000000, -0.0011145300000000, -0.0015301000000000 ] - [ -0.0000410600000000, 0.0004675800000000, 0.0000382900000000 ] - [ 0.0004681000000000, 0.0003119400000000, -0.0001325500000000 ] - [ -0.0048218000000000, -0.0030157900000000, -0.0014068900000000 ] - [ 0.0029702100000000, 0.0013768000000000, -0.0001773700000000 ] - [ -0.0004524300000000, -0.0000577000000000, -0.0000305300000000 ] - [ 0.0000662200000000, -0.0000245900000000, -0.0001695000000000 ] - [ -0.0040330100000000, 0.0031376500000000, 0.0014599200000000 ] - [ 0.0039424900000000, -0.0024879800000000, -0.0004172500000000 ] - [ -0.0005498500000000, -0.0001763400000000, 0.0001771100000000 ] - [ 0.0004647900000000, 0.0006124700000000, -0.0004594100000000 ] - [ -0.0585765500000000, 0.0140478400000000, 0.0261614400000000 ] - [ 0.0094320500000000, 0.0004739300000000, 0.0004630200000000 ] - [ -0.0002967300000000, 0.0001086800000000, 0.0001116100000000 ] - [ 0.0002229800000000, -0.0000216900000000, 0.0001471800000000 ] - [ -0.0040716200000000, -0.0006633200000000, 0.0026544400000000 ] - [ 0.0031148100000000, 0.0006499500000000, -0.0002026600000000 ] - [ -0.0000915300000000, 0.0000172600000000, 0.0001308500000000 ] - [ 0.0001782400000000, 0.0000465600000000, 0.0001576500000000 ] - [ -0.0015118200000000, -0.0041127000000000, -0.0031732000000000 ] - [ 0.0023490200000000, 0.0007208600000000, 0.0016331900000000 ] - [ -0.0018133900000000, 0.0009630400000000, 0.0004642900000000 ] - [ 0.0010815100000000, -0.0011687400000000, -0.0002806700000000 ] - [ -0.0802921000000000, -0.0405377800000000, -0.0096740000000000 ] - [ 0.0108405900000000, -0.0000075600000000, 0.0005365200000000 ] - [ -0.0000110200000000, -0.0000439200000000, -0.0001181100000000 ] - [ 0.0004178700000000, 0.0002342400000000, -0.0001382400000000 ] - [ -0.0034901900000000, 0.0013201500000000, -0.0043218000000000 ] - [ 0.0032678000000000, -0.0013492800000000, 0.0032125900000000 ] - [ -0.0003606400000000, -0.0003801900000000, -0.0001298700000000 ] - [ -0.0000990300000000, -0.0002448700000000, 0.0000722000000000 ] - [ -0.0008373300000000, 0.0006947300000000, -0.0013382300000000 ] - [ 0.0011849700000000, -0.0001894200000000, 0.0005594400000000 ] - [ -0.0002227500000000, -0.0006365000000000, -0.0007186700000000 ] - [ 0.0006203200000000, 0.0007880600000000, 0.0002381000000000 ] - [ -0.0017867700000000, 0.0071365000000000, -0.0034123900000000 ] - [ 0.0021498100000000, -0.0045735400000000, 0.0003477400000000 ] - [ -0.0000825700000000, -0.0010590600000000, 0.0001977400000000 ] - [ 0.0009268100000000, 0.0015429300000000, -0.0003753700000000 ] - [ 0.0004441100000000, -0.0005703300000000, 0.0006266600000000 ] - [ -0.0005049200000000, 0.0018471300000000, -0.0006377700000000 ] - [ -0.0001060100000000, 0.0006362200000000, 0.0002010800000000 ] - [ -0.0001420200000000, -0.0000857400000000, 0.0001353900000000 ] - [ 0.0021617100000000, -0.0028992300000000, -0.0043147400000000 ] - [ 0.0011272400000000, 0.0012355100000000, 0.0055849600000000 ] - [ -0.0001580500000000, 0.0002209900000000, 0.0001406500000000 ] - [ -0.0003208700000000, 0.0001982400000000, 0.0000938500000000 ] - [ 0.0008574100000000, -0.0007281400000000, -0.0003213200000000 ] - [ -0.0011541900000000, -0.0010018700000000, 0.0000506500000000 ] - [ 0.0003669800000000, 0.0001978500000000, 0.0000874700000000 ] - [ 0.0001273000000000, -0.0011101500000000, 0.0002718700000000 ] - [ 0.0036264000000000, -0.0024943800000000, 0.0034546500000000 ] - [ -0.0036366900000000, 0.0038705000000000, -0.0031540000000000 ] - [ -0.0002134500000000, 0.0009496200000000, 0.0000102400000000 ] - [ 0.0000395500000000, -0.0012019800000000, -0.0000116700000000 ] - [ 0.0020114600000000, -0.0012219100000000, 0.0021654300000000 ] - [ -0.0004512400000000, -0.0002667500000000, -0.0033465100000000 ] - [ 0.0001285400000000, -0.0001736600000000, 0.0001589400000000 ] - [ -0.0001506200000000, -0.0002047500000000, 0.0001750800000000 ] - [ 0.0023389600000000, -0.0022562100000000, -0.0021776800000000 ] - [ -0.0006100700000000, 0.0058599600000000, 0.0030817300000000 ] - [ 0.0006908100000000, 0.0010075900000000, 0.0000287600000000 ] - [ -0.0003879300000000, -0.0006743400000000, -0.0000419600000000 ] - [ 0.0027426200000000, 0.0031781100000000, 0.0014219000000000 ] - [ -0.0016522500000000, -0.0018261000000000, -0.0015243400000000 ] - [ 0.0006502600000000, -0.0007018600000000, 0.0000376900000000 ] - [ -0.0006899700000000, 0.0007339000000000, -0.0005004100000000 ] - [ 0.0100756700000000, -0.0004935700000000, -0.0008312200000000 ] - [ -0.0739716800000000, -0.0275573200000000, -0.0178294200000000 ] - [ 0.0002079100000000, 0.0004116100000000, 0.0001790900000000 ] - [ -0.0001745300000000, 0.0001047000000000, 0.0001221100000000 ] - [ 0.0023072800000000, 0.0004750500000000, -0.0008621800000000 ] - [ 0.0001072200000000, -0.0020013600000000, 0.0014255800000000 ] - [ 0.0009416800000000, -0.0008583300000000, -0.0001385300000000 ] - [ -0.0008200400000000, 0.0012476500000000, 0.0008573000000000 ] - [ 0.0038159900000000, 0.0032730700000000, -0.0003015800000000 ] - [ -0.0047851900000000, -0.0053819200000000, -0.0006017200000000 ] - [ 0.0008899000000000, 0.0004057900000000, -0.0002197700000000 ] - [ -0.0013849300000000, 0.0005102500000000, 0.0002990200000000 ] - [ 0.0094237200000000, -0.0025673700000000, 0.0003105200000000 ] - [ -0.0789455000000000, 0.0211720100000000, 0.0578050200000000 ] - [ 0.0003906400000000, -0.0002133800000000, 0.0000840800000000 ] - [ 0.0000486900000000, -0.0001061300000000, 0.0001289400000000 ] - [ 0.0091739500000000, 0.0000568200000000, 0.0022781000000000 ] - [ -0.0463343100000000, 0.0207230800000000, -0.0235537500000000 ] - [ 0.0004025500000000, -0.0001365900000000, 0.0001879000000000 ] - [ -0.0001294900000000, -0.0002063400000000, 0.0000929000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009038200000000, 0.0337676400000000, -0.0086907900000000 ] - [ 0.0002366100000000, -0.0007197700000000, -0.0005178500000000 ] - [ 0.0003592600000000, 0.0063260500000000, 0.0014288400000000 ] - [ -0.0002399600000000, 0.0034598000000000, -0.0000272900000000 ] - [ 0.0009726200000000, -0.0041319600000000, -0.0015220400000000 ] - [ 0.0004070600000000, -0.0030884200000000, -0.0003266500000000 ] - [ -0.0002170400000000, 0.0043560500000000, -0.0000339900000000 ] - [ -0.0002001800000000, 0.0035225200000000, 0.0001578400000000 ] - [ -0.0301224600000000, 0.0229122600000000, 0.0066760600000000 ] - [ 0.0184580500000000, 0.0086572300000000, -0.0038988100000000 ] - [ 0.0015336900000000, 0.0054401600000000, -0.0004673200000000 ] - [ -0.0016834800000000, 0.0046399200000000, -0.0005982700000000 ] - [ -0.0021229800000000, 0.0011902000000000, -0.0026326000000000 ] - [ 0.0019356800000000, -0.0004029600000000, -0.0012899300000000 ] - [ 0.0009223600000000, 0.0038976600000000, 0.0004256100000000 ] - [ -0.0013316100000000, 0.0031130000000000, 0.0002042400000000 ] - [ 0.0117515700000000, -0.0232217900000000, -0.0177272300000000 ] - [ -0.0201197100000000, -0.0239796700000000, -0.0079601700000000 ] - [ -0.0000789100000000, 0.0045535200000000, 0.0004040700000000 ] - [ 0.0001690300000000, 0.0044742700000000, 0.0004226100000000 ] - [ 0.0140636800000000, 0.0009794400000000, 0.0190965800000000 ] - [ -0.0108837200000000, 0.0003764600000000, 0.0091236300000000 ] - [ -0.0003819400000000, 0.0044958200000000, 0.0000836400000000 ] - [ 0.0007870400000000, 0.0045236600000000, -0.0000965100000000 ] - [ -0.0006392100000000, -0.0039921300000000, 0.0018461900000000 ] - [ 0.0044712800000000, 0.0065215900000000, 0.0275943100000000 ] - [ 0.0001450300000000, 0.0037733900000000, -0.0002102200000000 ] - [ 0.0000724500000000, 0.0050048000000000, -0.0006288500000000 ] - [ -0.0010110300000000, -0.0065295200000000, 0.0005449700000000 ] - [ 0.0146987000000000, -0.0165019300000000, -0.0195778500000000 ] - [ -0.0000339800000000, 0.0033667500000000, 0.0001460400000000 ] - [ 0.0000017800000000, 0.0042164200000000, 0.0002759600000000 ] - [ 0.0248354000000000, -0.4332336100000000, 0.0392765300000000 ] - [ 0.0003348800000000, -0.0138688100000000, -0.0037967300000000 ] - [ 0.0000652000000000, 0.0058685700000000, -0.0000227500000000 ] - [ 0.0001735500000000, 0.0049748800000000, 0.0002154400000000 ] - [ -0.0022669700000000, -0.0128705500000000, 0.0007587300000000 ] - [ 0.0016125100000000, -0.0094281100000000, 0.0007105800000000 ] - [ 0.0001441600000000, 0.0051774100000000, 0.0001534000000000 ] - [ -0.0000704600000000, 0.0051211500000000, 0.0000742600000000 ] - [ 0.0034542800000000, 0.0038654200000000, -0.0037646800000000 ] - [ -0.0042274600000000, 0.0038536500000000, -0.0018886600000000 ] - [ -0.0029207000000000, 0.0049743800000000, 0.0029930100000000 ] - [ 0.0030383600000000, 0.0049782500000000, 0.0020424500000000 ] - [ -0.0021003800000000, 0.0028982500000000, -0.0025667400000000 ] - [ 0.0014642000000000, 0.0092660100000000, -0.0060177000000000 ] - [ 0.0013701800000000, 0.0028833300000000, 0.0006451200000000 ] - [ 0.0002569800000000, 0.0093141700000000, 0.0074659000000000 ] - [ -0.0001770100000000, -0.0015619500000000, 0.0029103600000000 ] - [ 0.0002751100000000, 0.0012425400000000, 0.0007142400000000 ] - [ -0.0001584000000000, -0.0031046600000000, -0.0011685700000000 ] - [ -0.0001635000000000, -0.0021170600000000, -0.0003849400000000 ] - [ -0.0018911400000000, -0.0070909500000000, 0.0016996500000000 ] - [ -0.0022620500000000, -0.0019876600000000, 0.0012097000000000 ] - [ -0.0024718300000000, -0.0048367100000000, -0.0017207700000000 ] - [ -0.0005618700000000, -0.0013520800000000, -0.0000600200000000 ] - [ -0.0369021200000000, 0.0948645400000000, -0.0496625400000000 ] - [ -0.0021417800000000, 0.0046636100000000, 0.0011636600000000 ] - [ 0.0009194800000000, -0.0021008400000000, -0.0000048700000000 ] - [ 0.0010581000000000, -0.0016861200000000, -0.0000706800000000 ] - [ 0.0031279800000000, 0.0045895500000000, -0.0036194900000000 ] - [ 0.0000801300000000, 0.0024684300000000, -0.0008255200000000 ] - [ -0.0009590900000000, -0.0021126100000000, 0.0004402800000000 ] - [ -0.0006052700000000, -0.0018150300000000, 0.0002982600000000 ] - [ -0.0003983900000000, -0.0017835300000000, -0.0035984800000000 ] - [ 0.0000464300000000, 0.0002814100000000, -0.0007002200000000 ] - [ 0.0008921600000000, -0.0023019600000000, 0.0011240000000000 ] - [ 0.0002082900000000, -0.0010968800000000, 0.0003544800000000 ] - [ -0.0151580800000000, 0.0529288300000000, 0.0212769200000000 ] - [ -0.0022918300000000, 0.0073042900000000, -0.0013136700000000 ] - [ -0.0002655200000000, -0.0026552300000000, -0.0000752300000000 ] - [ -0.0002118800000000, -0.0023215100000000, 0.0000207000000000 ] - [ 0.0011547700000000, 0.0080844600000000, -0.0013032500000000 ] - [ 0.0008220100000000, 0.0036098800000000, -0.0007489300000000 ] - [ -0.0001964400000000, -0.0024718500000000, 0.0003324900000000 ] - [ -0.0002313900000000, -0.0022060400000000, 0.0003995100000000 ] - [ 0.0019738800000000, -0.0042180800000000, -0.0029198800000000 ] - [ -0.0017071900000000, -0.0005319100000000, -0.0013175200000000 ] - [ -0.0007501200000000, -0.0036854800000000, 0.0009381700000000 ] - [ 0.0013061300000000, -0.0017254200000000, -0.0001050600000000 ] - [ 0.0437400400000000, 0.0749540500000000, 0.0106596900000000 ] - [ 0.0037973400000000, 0.0043880800000000, 0.0007731400000000 ] - [ -0.0003566900000000, -0.0022209800000000, -0.0004892100000000 ] - [ -0.0004084300000000, -0.0018707100000000, -0.0005317900000000 ] - [ -0.0015549400000000, 0.0045165200000000, 0.0018980900000000 ] - [ -0.0005913700000000, 0.0020763300000000, 0.0024041100000000 ] - [ 0.0005056700000000, -0.0024121400000000, -0.0001489000000000 ] - [ 0.0003945700000000, -0.0022238400000000, -0.0001552700000000 ] - [ -0.0000976000000000, -0.0001490800000000, 0.0009744700000000 ] - [ 0.0012849800000000, 0.0001404100000000, 0.0006667500000000 ] - [ 0.0001978500000000, -0.0014227200000000, -0.0008870100000000 ] - [ -0.0008479000000000, -0.0013884400000000, -0.0005706100000000 ] - [ -0.0057976500000000, -0.0019961100000000, 0.0040741400000000 ] - [ 0.0030123000000000, 0.0004685700000000, 0.0010166600000000 ] - [ 0.0009132600000000, -0.0030058900000000, -0.0001781200000000 ] - [ -0.0004705700000000, -0.0025015200000000, -0.0000217000000000 ] - [ 0.0021471000000000, 0.0040259000000000, 0.0022332800000000 ] - [ -0.0034300900000000, 0.0035783400000000, 0.0000566500000000 ] - [ -0.0002942700000000, -0.0024098400000000, -0.0001582700000000 ] - [ -0.0000478000000000, -0.0024807500000000, -0.0002730800000000 ] - [ -0.0001572600000000, 0.0056510400000000, 0.0002222000000000 ] - [ -0.0040570600000000, 0.0075911900000000, -0.0018783900000000 ] - [ 0.0004813800000000, -0.0017331700000000, 0.0001430900000000 ] - [ 0.0006367000000000, -0.0019287400000000, 0.0002189100000000 ] - [ 0.0011833500000000, 0.0001939500000000, -0.0005956300000000 ] - [ -0.0023290000000000, -0.0019030400000000, -0.0020595300000000 ] - [ -0.0006498400000000, -0.0016032600000000, 0.0001543500000000 ] - [ 0.0002226600000000, -0.0024080900000000, 0.0008341800000000 ] - [ 0.0036260400000000, -0.0023042300000000, 0.0038499700000000 ] - [ -0.0022306500000000, -0.0035877600000000, 0.0036907400000000 ] - [ -0.0003953100000000, -0.0012669300000000, 0.0001037300000000 ] - [ 0.0016216300000000, -0.0034471800000000, -0.0004778200000000 ] - [ -0.0000974800000000, 0.0042249700000000, -0.0019056500000000 ] - [ 0.0002677500000000, 0.0047597900000000, -0.0022106000000000 ] - [ -0.0004731100000000, -0.0023800500000000, 0.0003089000000000 ] - [ -0.0006085600000000, -0.0026566800000000, 0.0003078600000000 ] - [ 0.0032901300000000, -0.0023060800000000, -0.0031464300000000 ] - [ -0.0019642900000000, -0.0045174600000000, -0.0021383600000000 ] - [ -0.0010869100000000, -0.0018656100000000, -0.0001442000000000 ] - [ 0.0029005700000000, -0.0040087800000000, 0.0010191000000000 ] - [ -0.0015948000000000, -0.0021567100000000, -0.0014482500000000 ] - [ 0.0011789600000000, -0.0003856400000000, -0.0031132700000000 ] - [ 0.0005128900000000, -0.0017194600000000, 0.0004416700000000 ] - [ -0.0002704700000000, -0.0023166400000000, 0.0008625000000000 ] - [ 0.0045054800000000, 0.0066583800000000, 0.0005248200000000 ] - [ 0.0273361400000000, 0.0576871000000000, 0.0137182800000000 ] - [ -0.0007673200000000, -0.0022603000000000, 0.0000998700000000 ] - [ -0.0005434100000000, -0.0024585400000000, 0.0000121100000000 ] - [ -0.0014427700000000, 0.0007987800000000, 0.0012274900000000 ] - [ 0.0028855300000000, -0.0026854100000000, 0.0039716100000000 ] - [ 0.0008693500000000, -0.0017142100000000, -0.0007158700000000 ] - [ 0.0004336800000000, -0.0021927400000000, -0.0010987900000000 ] - [ -0.0023112800000000, -0.0010603300000000, -0.0001502100000000 ] - [ 0.0024829000000000, -0.0066418300000000, -0.0065769700000000 ] - [ -0.0007430200000000, -0.0017475200000000, 0.0001771200000000 ] - [ -0.0017728200000000, -0.0026826600000000, 0.0004526200000000 ] - [ -0.0047097600000000, 0.0058298200000000, -0.0002880600000000 ] - [ -0.0217788300000000, 0.0436173400000000, 0.0209720600000000 ] - [ 0.0010232700000000, -0.0021872300000000, 0.0000104000000000 ] - [ 0.0010198200000000, -0.0024676800000000, 0.0001335500000000 ] - [ -0.0005091600000000, 0.0035839900000000, 0.0004646900000000 ] - [ -0.0184812300000000, 0.0884240600000000, -0.0501017100000000 ] - [ 0.0000769400000000, -0.0029222300000000, 0.0004645200000000 ] - [ -0.0000234700000000, -0.0036192500000000, 0.0005352200000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008412100000000, -0.0339846000000000, 0.0080957600000000 ] - [ -0.0001455000000000, 0.0002276300000000, 0.0001050200000000 ] - [ -0.0002734400000000, -0.0068129000000000, -0.0018635600000000 ] - [ 0.0003342900000000, -0.0039240700000000, -0.0003856000000000 ] - [ -0.0010049600000000, 0.0040386800000000, 0.0011472900000000 ] - [ -0.0004371700000000, 0.0030080900000000, -0.0000616600000000 ] - [ 0.0001868600000000, -0.0044165300000000, -0.0003497400000000 ] - [ 0.0001708300000000, -0.0035798600000000, -0.0005444700000000 ] - [ 0.0304567800000000, -0.0229916200000000, -0.0070845300000000 ] - [ -0.0185023700000000, -0.0085691800000000, 0.0034803100000000 ] - [ -0.0014907600000000, -0.0053722200000000, 0.0000806100000000 ] - [ 0.0016997200000000, -0.0045739000000000, 0.0002060200000000 ] - [ 0.0020342500000000, -0.0006973300000000, 0.0022155800000000 ] - [ -0.0020336900000000, 0.0008911800000000, 0.0008857200000000 ] - [ -0.0010037600000000, -0.0034316200000000, -0.0008373600000000 ] - [ 0.0012293700000000, -0.0026485600000000, -0.0006096900000000 ] - [ -0.0116821400000000, 0.0235578500000000, 0.0181741000000000 ] - [ 0.0202372200000000, 0.0243963000000000, 0.0083772100000000 ] - [ 0.0001728400000000, -0.0040833100000000, 0.0000102800000000 ] - [ -0.0000802300000000, -0.0040025700000000, -0.0000084500000000 ] - [ -0.0140388600000000, -0.0009391800000000, -0.0186886300000000 ] - [ 0.0108164200000000, -0.0004026500000000, -0.0086981100000000 ] - [ 0.0003584100000000, -0.0044329600000000, 0.0003036500000000 ] - [ -0.0008240900000000, -0.0044614400000000, 0.0004860300000000 ] - [ 0.0006714300000000, 0.0039528200000000, -0.0014623000000000 ] - [ -0.0044653400000000, -0.0065586200000000, -0.0273713100000000 ] - [ -0.0001146300000000, -0.0038391000000000, 0.0005951100000000 ] - [ -0.0000445300000000, -0.0050659800000000, 0.0010099400000000 ] - [ 0.0009192600000000, 0.0060717200000000, -0.0001305500000000 ] - [ -0.0148003700000000, 0.0161507600000000, 0.0199731100000000 ] - [ -0.0000575300000000, -0.0038392900000000, 0.0002697900000000 ] - [ -0.0000917700000000, -0.0046826500000000, 0.0001427400000000 ] - [ -0.0275177000000000, 0.4327734100000000, -0.0374531500000000 ] - [ -0.0002641500000000, 0.0136316100000000, 0.0040695800000000 ] - [ -0.0000052600000000, -0.0061145900000000, 0.0002977700000000 ] - [ -0.0001141500000000, -0.0052197800000000, 0.0000613400000000 ] - [ 0.0022101300000000, 0.0131145800000000, -0.0004738600000000 ] - [ -0.0016640100000000, 0.0096785400000000, -0.0004423500000000 ] - [ -0.0002005800000000, -0.0049306900000000, 0.0001222700000000 ] - [ 0.0000075700000000, -0.0048735800000000, 0.0002029500000000 ] - [ -0.0033758000000000, -0.0036194800000000, 0.0034651000000000 ] - [ 0.0042800300000000, -0.0036312600000000, 0.0015999100000000 ] - [ 0.0029942700000000, -0.0047233700000000, -0.0032826600000000 ] - [ -0.0029934700000000, -0.0047192300000000, -0.0023289700000000 ] - [ 0.0020479400000000, -0.0031366200000000, 0.0022895500000000 ] - [ -0.0015336600000000, -0.0095415100000000, 0.0058069300000000 ] - [ -0.0014312400000000, -0.0031512200000000, -0.0009193600000000 ] - [ -0.0002787500000000, -0.0094936200000000, -0.0076554000000000 ] - [ -0.0000982400000000, 0.0010972200000000, -0.0032439200000000 ] - [ -0.0005400300000000, -0.0016880900000000, -0.0010330300000000 ] - [ -0.0001095800000000, 0.0026670000000000, 0.0008453200000000 ] - [ -0.0000987500000000, 0.0016874000000000, 0.0000677800000000 ] - [ 0.0014269700000000, 0.0067644200000000, -0.0019583900000000 ] - [ 0.0017955700000000, 0.0015985900000000, -0.0014423300000000 ] - [ 0.0019957000000000, 0.0044378400000000, 0.0014835400000000 ] - [ 0.0001090800000000, 0.0009803400000000, -0.0001773000000000 ] - [ 0.0397039300000000, -0.0974680500000000, 0.0530595400000000 ] - [ 0.0025837800000000, -0.0039922700000000, -0.0012474100000000 ] - [ -0.0004774700000000, 0.0027783600000000, -0.0000812700000000 ] - [ -0.0006136600000000, 0.0023656300000000, -0.0000162700000000 ] - [ -0.0035420200000000, -0.0047428200000000, 0.0034071900000000 ] - [ -0.0004954900000000, -0.0026189700000000, 0.0006071600000000 ] - [ 0.0005495300000000, 0.0019696700000000, -0.0006600100000000 ] - [ 0.0001985300000000, 0.0016737800000000, -0.0005183100000000 ] - [ 0.0003545000000000, 0.0022230900000000, 0.0032680300000000 ] - [ -0.0000754800000000, 0.0001682700000000, 0.0003940700000000 ] - [ -0.0009180800000000, 0.0027379900000000, -0.0014421800000000 ] - [ -0.0002294900000000, 0.0015273100000000, -0.0006616200000000 ] - [ 0.0158454600000000, -0.0533049800000000, -0.0219430600000000 ] - [ 0.0021986200000000, -0.0073118000000000, 0.0015898000000000 ] - [ 0.0001827600000000, 0.0026560900000000, 0.0003504100000000 ] - [ 0.0001301100000000, 0.0023230400000000, 0.0002547400000000 ] - [ -0.0010729100000000, -0.0080763500000000, 0.0015802200000000 ] - [ -0.0007426200000000, -0.0036063700000000, 0.0010199800000000 ] - [ 0.0002772500000000, 0.0024698200000000, -0.0000586600000000 ] - [ 0.0003156600000000, 0.0022036900000000, -0.0001253300000000 ] - [ -0.0019643300000000, 0.0037831100000000, 0.0026344900000000 ] - [ 0.0017360800000000, 0.0000855700000000, 0.0010089300000000 ] - [ 0.0007653200000000, 0.0032453700000000, -0.0012381500000000 ] - [ -0.0012783800000000, 0.0012961500000000, -0.0002007200000000 ] - [ -0.0402741800000000, -0.0726801200000000, -0.0102277400000000 ] - [ -0.0033923300000000, -0.0042300800000000, -0.0009892300000000 ] - [ 0.0007637000000000, 0.0023647600000000, 0.0002697700000000 ] - [ 0.0008175600000000, 0.0020131700000000, 0.0003124800000000 ] - [ 0.0011021400000000, -0.0051807900000000, -0.0019849200000000 ] - [ 0.0001408900000000, -0.0027503000000000, -0.0024886500000000 ] - [ -0.0009492700000000, 0.0017313600000000, 0.0000624400000000 ] - [ -0.0008362200000000, 0.0015421200000000, 0.0000692600000000 ] - [ 0.0005587700000000, 0.0005343100000000, -0.0012087400000000 ] - [ -0.0008215900000000, 0.0002464300000000, -0.0009036600000000 ] - [ 0.0002597900000000, 0.0017989200000000, 0.0006548700000000 ] - [ 0.0013084000000000, 0.0017636600000000, 0.0003341900000000 ] - [ 0.0060212100000000, 0.0024242500000000, -0.0043627600000000 ] - [ -0.0027428800000000, -0.0000137900000000, -0.0013287200000000 ] - [ -0.0006527500000000, 0.0034430200000000, -0.0001370200000000 ] - [ 0.0007383200000000, 0.0029341800000000, -0.0002944400000000 ] - [ -0.0024061200000000, -0.0035989900000000, -0.0019131200000000 ] - [ 0.0031574000000000, -0.0031625200000000, 0.0002640900000000 ] - [ 0.0000283200000000, 0.0028472300000000, 0.0004767400000000 ] - [ -0.0002147500000000, 0.0029168200000000, 0.0005888100000000 ] - [ -0.0002890500000000, -0.0052723000000000, 0.0000065200000000 ] - [ 0.0036040600000000, -0.0072191700000000, 0.0021246800000000 ] - [ -0.0009431800000000, 0.0021130700000000, 0.0000930700000000 ] - [ -0.0010963200000000, 0.0023076900000000, 0.0000173200000000 ] - [ -0.0007457100000000, -0.0008836100000000, 0.0006852000000000 ] - [ 0.0027716200000000, 0.0012149700000000, 0.0021474600000000 ] - [ 0.0010915200000000, 0.0009269800000000, -0.0000673500000000 ] - [ 0.0002229200000000, 0.0017361200000000, -0.0007477000000000 ] - [ -0.0040433100000000, 0.0024464200000000, -0.0036424200000000 ] - [ 0.0018499600000000, 0.0037474700000000, -0.0034939200000000 ] - [ -0.0000190300000000, 0.0014161500000000, 0.0001130200000000 ] - [ -0.0020200700000000, 0.0035697500000000, 0.0006871500000000 ] - [ 0.0000797700000000, -0.0046610300000000, 0.0022157700000000 ] - [ -0.0002913300000000, -0.0051803300000000, 0.0025318900000000 ] - [ 0.0004468000000000, 0.0019431600000000, -0.0000010300000000 ] - [ 0.0005845800000000, 0.0022203900000000, -0.0000004100000000 ] - [ -0.0033845800000000, 0.0023045300000000, 0.0028848100000000 ] - [ 0.0019066300000000, 0.0045163900000000, 0.0018850400000000 ] - [ 0.0009982500000000, 0.0018678600000000, -0.0001289300000000 ] - [ -0.0029631400000000, 0.0039997700000000, -0.0012777800000000 ] - [ 0.0016746500000000, 0.0021707900000000, 0.0011733500000000 ] - [ -0.0010887600000000, 0.0003970800000000, 0.0028116200000000 ] - [ -0.0004318200000000, 0.0017171700000000, -0.0007162900000000 ] - [ 0.0003539900000000, 0.0023175100000000, -0.0011439000000000 ] - [ -0.0044954800000000, -0.0062423200000000, -0.0002140900000000 ] - [ -0.0291866600000000, -0.0584244600000000, -0.0144887900000000 ] - [ 0.0007894100000000, 0.0026949800000000, 0.0002080300000000 ] - [ 0.0005685500000000, 0.0028936700000000, 0.0002961000000000 ] - [ 0.0018431700000000, -0.0009315800000000, -0.0010029400000000 ] - [ -0.0024760900000000, 0.0025675600000000, -0.0037513700000000 ] - [ -0.0004628800000000, 0.0015703400000000, 0.0009371600000000 ] - [ -0.0000210800000000, 0.0020471400000000, 0.0013221000000000 ] - [ 0.0018746800000000, 0.0017548300000000, 0.0002353600000000 ] - [ -0.0028827200000000, 0.0072192100000000, 0.0065785000000000 ] - [ 0.0002950600000000, 0.0024213600000000, -0.0000928400000000 ] - [ 0.0013381200000000, 0.0033712900000000, -0.0003688700000000 ] - [ 0.0051708600000000, -0.0062095200000000, 0.0005320200000000 ] - [ 0.0221862400000000, -0.0442606900000000, -0.0206659300000000 ] - [ -0.0005633100000000, 0.0018078400000000, 0.0002248500000000 ] - [ -0.0005587700000000, 0.0020884800000000, 0.0001014700000000 ] - [ 0.0007747300000000, -0.0040128500000000, -0.0001502700000000 ] - [ 0.0170267600000000, -0.0856431000000000, 0.0469672300000000 ] - [ 0.0001870600000000, 0.0024836800000000, -0.0001466200000000 ] - [ 0.0002886700000000, 0.0031854800000000, -0.0002171000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0046589800000000, -0.0177853900000000, -0.0069078500000000 ] - [ 0.0011144300000000, -0.0009825600000000, -0.0026196300000000 ] - [ -0.0005575300000000, 0.0009032800000000, -0.0029271100000000 ] - [ 0.0007028800000000, 0.0003187700000000, -0.0004834300000000 ] - [ 0.0007002100000000, 0.0024611300000000, 0.0089609600000000 ] - [ 0.0003136800000000, 0.0005247400000000, 0.0035035600000000 ] - [ -0.0000162100000000, -0.0002792600000000, 0.0013662600000000 ] - [ 0.0002965100000000, 0.0001311600000000, 0.0003897700000000 ] - [ 0.0049029400000000, 0.0012460800000000, -0.0289232300000000 ] - [ 0.0051924100000000, 0.0053233300000000, -0.0103655200000000 ] - [ -0.0001782200000000, -0.0001016400000000, -0.0013593100000000 ] - [ 0.0003775200000000, 0.0000114000000000, -0.0017733500000000 ] - [ 0.0026230200000000, -0.0023423700000000, 0.0030708500000000 ] - [ -0.0013106200000000, -0.0023734900000000, 0.0026397200000000 ] - [ 0.0002533900000000, 0.0012414400000000, 0.0008789500000000 ] - [ -0.0001199400000000, 0.0015072700000000, 0.0014273700000000 ] - [ -0.0301305300000000, -0.0201062400000000, 0.0033227000000000 ] - [ 0.0296946800000000, -0.0048038800000000, 0.0087685100000000 ] - [ 0.0000163800000000, 0.0005087100000000, 0.0002218100000000 ] - [ 0.0000394200000000, 0.0006508000000000, 0.0001121600000000 ] - [ 0.0117914200000000, 0.0083806500000000, 0.0064368000000000 ] - [ -0.0215482800000000, 0.0200214900000000, 0.0070726500000000 ] - [ 0.0005655400000000, -0.0006449400000000, -0.0001725700000000 ] - [ -0.0005412600000000, -0.0005882200000000, 0.0000043200000000 ] - [ -0.0000637400000000, 0.0012117800000000, 0.0022350100000000 ] - [ 0.0100831200000000, 0.0230555700000000, 0.0298237900000000 ] - [ 0.0001411700000000, -0.0005496800000000, 0.0005472000000000 ] - [ -0.0000295900000000, -0.0011270000000000, 0.0007557100000000 ] - [ 0.0005964600000000, -0.0016031000000000, 0.0006194900000000 ] - [ -0.0046701300000000, -0.0227710600000000, 0.0562937700000000 ] - [ -0.0000539000000000, 0.0002135100000000, 0.0002185100000000 ] - [ -0.0000037700000000, 0.0001791700000000, 0.0002937000000000 ] - [ 0.0114297000000000, 0.0387630900000000, -0.4817192500000000 ] - [ 0.0002051900000000, -0.0040617900000000, -0.0088285100000000 ] - [ -0.0000244700000000, -0.0002844500000000, -0.0005249100000000 ] - [ 0.0000333900000000, -0.0000467900000000, -0.0003813700000000 ] - [ 0.0033204300000000, -0.0005154500000000, 0.0148407400000000 ] - [ -0.0024628600000000, -0.0004401800000000, 0.0154808200000000 ] - [ -0.0000457700000000, 0.0001069600000000, 0.0007127000000000 ] - [ -0.0000804400000000, 0.0001864200000000, 0.0007988000000000 ] - [ -0.0011469500000000, -0.0016164800000000, 0.0029263300000000 ] - [ 0.0017467100000000, -0.0034879400000000, 0.0029254900000000 ] - [ -0.0031147500000000, 0.0023075500000000, 0.0015692500000000 ] - [ 0.0017482400000000, 0.0032556000000000, 0.0015737100000000 ] - [ 0.0012143100000000, -0.0009051300000000, -0.0017142500000000 ] - [ -0.0022614300000000, -0.0076920100000000, -0.0010592700000000 ] - [ -0.0012786200000000, 0.0023025600000000, -0.0017088000000000 ] - [ 0.0013636200000000, 0.0057982900000000, -0.0010477500000000 ] - [ -0.0006864600000000, 0.0069490400000000, -0.0012906400000000 ] - [ -0.0000946800000000, 0.0005069000000000, 0.0001364000000000 ] - [ -0.0003752800000000, -0.0013184100000000, -0.0001596500000000 ] - [ -0.0000029800000000, -0.0014323800000000, -0.0003355400000000 ] - [ -0.0005919300000000, 0.0043521700000000, 0.0026803900000000 ] - [ -0.0025056700000000, -0.0017519400000000, 0.0022097200000000 ] - [ -0.0007354300000000, -0.0004335300000000, 0.0030767500000000 ] - [ -0.0005877800000000, -0.0006793200000000, 0.0011631700000000 ] - [ 0.0260067000000000, -0.0514114400000000, 0.0842272400000000 ] - [ 0.0004184500000000, 0.0016081100000000, 0.0031904000000000 ] - [ 0.0001402800000000, 0.0003236100000000, 0.0002191300000000 ] - [ 0.0001207100000000, 0.0002929700000000, 0.0002175400000000 ] - [ -0.0008480700000000, 0.0017940300000000, -0.0111074100000000 ] - [ 0.0003745200000000, 0.0001545100000000, -0.0030831700000000 ] - [ -0.0000821400000000, 0.0000276400000000, -0.0005496400000000 ] - [ -0.0001821900000000, -0.0000811600000000, -0.0004404300000000 ] - [ -0.0002058300000000, -0.0024525200000000, -0.0009297800000000 ] - [ 0.0040669000000000, -0.0036595200000000, -0.0009847100000000 ] - [ -0.0006923200000000, 0.0020691100000000, -0.0004864200000000 ] - [ 0.0002390900000000, 0.0003297400000000, 0.0001463800000000 ] - [ -0.0260888800000000, 0.0194578300000000, 0.0724467200000000 ] - [ -0.0039764300000000, -0.0012386500000000, 0.0017694000000000 ] - [ -0.0000175400000000, 0.0001524900000000, 0.0003818500000000 ] - [ -0.0000815200000000, 0.0000362700000000, 0.0003159100000000 ] - [ -0.0061061100000000, -0.0020531500000000, -0.0105664000000000 ] - [ 0.0023664800000000, 0.0005582700000000, -0.0030315000000000 ] - [ -0.0000167400000000, 0.0001118000000000, -0.0000608000000000 ] - [ 0.0000893800000000, -0.0000240500000000, -0.0000384800000000 ] - [ 0.0036162600000000, -0.0060119400000000, -0.0000709100000000 ] - [ -0.0007946000000000, -0.0009502600000000, -0.0007477800000000 ] - [ 0.0011835600000000, 0.0013332400000000, -0.0012340800000000 ] - [ -0.0006954500000000, 0.0007956900000000, -0.0001975800000000 ] - [ 0.0097360200000000, 0.0098423700000000, 0.0406658900000000 ] - [ 0.0041937700000000, 0.0015170800000000, 0.0076090900000000 ] - [ 0.0002341000000000, 0.0001979900000000, 0.0002431000000000 ] - [ 0.0002683800000000, 0.0000617600000000, 0.0002137900000000 ] - [ 0.0009114300000000, -0.0004634000000000, -0.0088159800000000 ] - [ -0.0017959000000000, 0.0002732700000000, -0.0062685400000000 ] - [ -0.0003085200000000, -0.0003323100000000, -0.0002836300000000 ] - [ -0.0002877500000000, -0.0004244700000000, -0.0002638600000000 ] - [ -0.0001372600000000, 0.0000854700000000, -0.0015049700000000 ] - [ -0.0006017600000000, 0.0003291100000000, -0.0018958600000000 ] - [ 0.0000585100000000, -0.0000901400000000, -0.0018128200000000 ] - [ -0.0003992600000000, -0.0003038300000000, -0.0012385100000000 ] - [ 0.0020629600000000, 0.0026635600000000, -0.0000842200000000 ] - [ -0.0026602600000000, 0.0043568500000000, -0.0008515400000000 ] - [ 0.0004422800000000, -0.0010151200000000, 0.0001885900000000 ] - [ -0.0003435900000000, -0.0008120100000000, -0.0000453700000000 ] - [ -0.0019412900000000, 0.0008902500000000, -0.0028015900000000 ] - [ 0.0064446100000000, 0.0022250300000000, -0.0058767500000000 ] - [ -0.0001162900000000, -0.0000614500000000, -0.0000042300000000 ] - [ -0.0001207800000000, -0.0000645700000000, -0.0000683100000000 ] - [ 0.0008551000000000, 0.0004196800000000, -0.0037566400000000 ] - [ -0.0047343000000000, 0.0009520200000000, -0.0088826400000000 ] - [ -0.0003230200000000, 0.0002816800000000, -0.0001240700000000 ] - [ -0.0003888200000000, 0.0003455700000000, -0.0001793400000000 ] - [ 0.0002017200000000, -0.0006666700000000, -0.0014264300000000 ] - [ -0.0030021700000000, -0.0030334800000000, -0.0034497100000000 ] - [ 0.0002202400000000, -0.0002140100000000, -0.0006775500000000 ] - [ -0.0000251700000000, 0.0003479000000000, -0.0011166500000000 ] - [ -0.0010519500000000, 0.0011604100000000, 0.0019552700000000 ] - [ 0.0028160800000000, 0.0026334600000000, 0.0018477900000000 ] - [ 0.0001005500000000, -0.0004438600000000, 0.0004619700000000 ] - [ 0.0001293300000000, -0.0011029400000000, 0.0004237300000000 ] - [ -0.0017086300000000, -0.0005043800000000, -0.0021146200000000 ] - [ 0.0030205900000000, -0.0007651300000000, -0.0078266400000000 ] - [ -0.0000838500000000, -0.0002641300000000, -0.0000269100000000 ] - [ 0.0000374400000000, -0.0001311800000000, -0.0000841000000000 ] - [ -0.0010420700000000, 0.0010095100000000, 0.0020507900000000 ] - [ -0.0011205700000000, -0.0039026400000000, -0.0005860100000000 ] - [ 0.0003289800000000, 0.0006019800000000, -0.0000063200000000 ] - [ -0.0012532900000000, 0.0018582100000000, -0.0003201600000000 ] - [ 0.0003305400000000, -0.0005062500000000, -0.0008737400000000 ] - [ -0.0007007200000000, -0.0025697700000000, -0.0011904700000000 ] - [ -0.0003315800000000, 0.0005096500000000, -0.0001736900000000 ] - [ 0.0005901400000000, 0.0013009000000000, -0.0007250700000000 ] - [ 0.0027999200000000, 0.0002745500000000, 0.0035245800000000 ] - [ 0.0200909500000000, 0.0155266900000000, 0.0478017400000000 ] - [ 0.0000160700000000, 0.0002355600000000, 0.0003364600000000 ] - [ 0.0000123900000000, 0.0003566700000000, 0.0004322500000000 ] - [ 0.0008000400000000, 0.0004457200000000, -0.0010168500000000 ] - [ -0.0004030700000000, 0.0018556800000000, -0.0035723900000000 ] - [ 0.0002419300000000, -0.0000765800000000, -0.0000167300000000 ] - [ 0.0007814400000000, -0.0011817300000000, -0.0004600200000000 ] - [ -0.0012177200000000, -0.0007802500000000, 0.0013489100000000 ] - [ -0.0018982800000000, -0.0054330000000000, 0.0058882900000000 ] - [ -0.0008706100000000, 0.0002125700000000, 0.0005490600000000 ] - [ 0.0001609400000000, 0.0013105500000000, 0.0009177900000000 ] - [ -0.0025696700000000, 0.0007039000000000, 0.0019056900000000 ] - [ -0.0583485700000000, 0.0218454000000000, 0.1081217700000000 ] - [ 0.0000985100000000, -0.0001278700000000, 0.0003716800000000 ] - [ 0.0001542400000000, -0.0000468100000000, 0.0003545100000000 ] - [ 0.0029371500000000, 0.0004044000000000, 0.0033536700000000 ] - [ 0.0189891500000000, -0.0438181200000000, 0.0750795000000000 ] - [ 0.0001342200000000, -0.0004126600000000, 0.0002936800000000 ] - [ 0.0001639200000000, -0.0003434800000000, 0.0003419600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0047597200000000, 0.0173104900000000, 0.0065148800000000 ] - [ -0.0010273500000000, 0.0005150200000000, 0.0022096100000000 ] - [ 0.0006512800000000, -0.0013711000000000, 0.0025143500000000 ] - [ -0.0006130600000000, -0.0007863600000000, 0.0000708900000000 ] - [ -0.0007534900000000, -0.0024712500000000, -0.0093445700000000 ] - [ -0.0003412600000000, -0.0005715500000000, -0.0038945700000000 ] - [ -0.0000126500000000, 0.0002126100000000, -0.0017502700000000 ] - [ -0.0003282000000000, -0.0001960200000000, -0.0007758100000000 ] - [ -0.0049219700000000, -0.0011180300000000, 0.0285620700000000 ] - [ -0.0051382300000000, -0.0052368600000000, 0.0099619500000000 ] - [ 0.0002068900000000, 0.0001599600000000, 0.0009738600000000 ] - [ -0.0003476700000000, 0.0000488700000000, 0.0013879800000000 ] - [ -0.0027048600000000, 0.0027988400000000, -0.0034976600000000 ] - [ 0.0012102800000000, 0.0028264300000000, -0.0030579000000000 ] - [ -0.0003417500000000, -0.0007693400000000, -0.0012968900000000 ] - [ 0.0000262700000000, -0.0010389900000000, -0.0018453400000000 ] - [ 0.0304506200000000, 0.0206337500000000, -0.0028371800000000 ] - [ -0.0297525000000000, 0.0053427400000000, -0.0083279300000000 ] - [ 0.0000753300000000, -0.0000393600000000, 0.0001948600000000 ] - [ 0.0000519200000000, -0.0001821300000000, 0.0003042700000000 ] - [ -0.0117684400000000, -0.0082685600000000, -0.0061305800000000 ] - [ 0.0214654400000000, -0.0199336000000000, -0.0066639400000000 ] - [ -0.0005932400000000, 0.0007063400000000, 0.0005550500000000 ] - [ 0.0005093600000000, 0.0006472100000000, 0.0003792000000000 ] - [ 0.0000900400000000, -0.0012807600000000, -0.0018305700000000 ] - [ -0.0101088000000000, -0.0233957200000000, -0.0296045800000000 ] - [ -0.0001110200000000, 0.0004868300000000, -0.0001599500000000 ] - [ 0.0000600800000000, 0.0010632100000000, -0.0003674700000000 ] - [ -0.0006837700000000, 0.0011333500000000, -0.0002234200000000 ] - [ 0.0044619900000000, 0.0220074400000000, -0.0552789500000000 ] - [ -0.0000371600000000, -0.0006855200000000, 0.0001962500000000 ] - [ -0.0000874000000000, -0.0006501100000000, 0.0001209200000000 ] - [ -0.0084595100000000, -0.0379013700000000, 0.4799250100000000 ] - [ -0.0001582200000000, 0.0038039400000000, 0.0091095700000000 ] - [ 0.0000848300000000, 0.0000357900000000, 0.0008002100000000 ] - [ 0.0000256300000000, -0.0002010800000000, 0.0006574300000000 ] - [ -0.0032735900000000, 0.0007175600000000, -0.0145359300000000 ] - [ 0.0023576100000000, 0.0007130400000000, -0.0152275400000000 ] - [ -0.0000132300000000, 0.0001383300000000, -0.0004364100000000 ] - [ 0.0000202500000000, 0.0000583800000000, -0.0005224700000000 ] - [ 0.0012077500000000, 0.0018721100000000, -0.0031946100000000 ] - [ -0.0016878600000000, 0.0037418300000000, -0.0031955800000000 ] - [ 0.0031805400000000, -0.0020630400000000, -0.0018350000000000 ] - [ -0.0016946800000000, -0.0030201300000000, -0.0018304600000000 ] - [ -0.0012798600000000, 0.0006591300000000, 0.0014251700000000 ] - [ 0.0022129100000000, 0.0074285500000000, 0.0007580800000000 ] - [ 0.0012216900000000, -0.0025541100000000, 0.0014305800000000 ] - [ -0.0014177900000000, -0.0060266900000000, 0.0007695000000000 ] - [ 0.0004075200000000, -0.0073491700000000, 0.0009930400000000 ] - [ -0.0001644800000000, -0.0009381800000000, -0.0004474800000000 ] - [ 0.0001120100000000, 0.0008805900000000, -0.0001557000000000 ] - [ -0.0002609500000000, 0.0010015700000000, 0.0000202700000000 ] - [ 0.0001196000000000, -0.0047464000000000, -0.0029077300000000 ] - [ 0.0020411800000000, 0.0013677500000000, -0.0024404900000000 ] - [ 0.0002737000000000, 0.0000573100000000, -0.0033065100000000 ] - [ 0.0001293700000000, 0.0003022900000000, -0.0014024500000000 ] - [ -0.0239456700000000, 0.0491879600000000, -0.0823867600000000 ] - [ 0.0000240400000000, -0.0009291000000000, -0.0032668300000000 ] - [ 0.0003017700000000, 0.0003574800000000, -0.0003047600000000 ] - [ 0.0003219000000000, 0.0003878700000000, -0.0003038400000000 ] - [ 0.0004073900000000, -0.0019259400000000, 0.0108721800000000 ] - [ -0.0007689300000000, -0.0002953500000000, 0.0028619300000000 ] - [ -0.0003260300000000, -0.0001698200000000, 0.0003296500000000 ] - [ -0.0002255000000000, -0.0000605400000000, 0.0002210100000000 ] - [ 0.0001795500000000, 0.0028734700000000, 0.0006330200000000 ] - [ -0.0041027500000000, 0.0041028100000000, 0.0006833700000000 ] - [ 0.0006648000000000, -0.0016274900000000, 0.0001828600000000 ] - [ -0.0002607100000000, 0.0001068100000000, -0.0004502700000000 ] - [ 0.0284861300000000, -0.0213785900000000, -0.0750075100000000 ] - [ 0.0038896900000000, 0.0012457000000000, -0.0015032500000000 ] - [ -0.0000651700000000, -0.0001502600000000, -0.0001075700000000 ] - [ -0.0000009800000000, -0.0000339400000000, -0.0000415900000000 ] - [ 0.0061211300000000, 0.0020356400000000, 0.0107575500000000 ] - [ -0.0022814100000000, -0.0005683300000000, 0.0033161600000000 ] - [ 0.0000987300000000, -0.0001124600000000, 0.0003351800000000 ] - [ -0.0000061800000000, 0.0000231700000000, 0.0003133700000000 ] - [ -0.0036149200000000, 0.0055812700000000, -0.0002450800000000 ] - [ 0.0008182100000000, 0.0005141300000000, 0.0004326900000000 ] - [ -0.0011592800000000, -0.0017656300000000, 0.0009227500000000 ] - [ 0.0007189800000000, -0.0012313800000000, -0.0001109900000000 ] - [ -0.0094364800000000, -0.0097928700000000, -0.0409892100000000 ] - [ -0.0037759900000000, -0.0013739600000000, -0.0078357100000000 ] - [ 0.0001743700000000, -0.0000542300000000, -0.0004617900000000 ] - [ 0.0001406600000000, 0.0000815200000000, -0.0004324200000000 ] - [ -0.0013953100000000, -0.0002237000000000, 0.0087428700000000 ] - [ 0.0013634500000000, -0.0009616900000000, 0.0061916100000000 ] - [ -0.0001353400000000, -0.0003472800000000, 0.0001962300000000 ] - [ -0.0001554300000000, -0.0002550000000000, 0.0001769700000000 ] - [ 0.0005902000000000, 0.0002829000000000, 0.0012609500000000 ] - [ 0.0010604700000000, 0.0000457900000000, 0.0016591600000000 ] - [ 0.0004010600000000, 0.0004713100000000, 0.0015732600000000 ] - [ 0.0008645900000000, 0.0006878900000000, 0.0010002400000000 ] - [ -0.0017997600000000, -0.0022343400000000, -0.0002449100000000 ] - [ 0.0029219700000000, -0.0039271000000000, 0.0005320300000000 ] - [ -0.0001784500000000, 0.0014510600000000, -0.0005069800000000 ] - [ 0.0006082400000000, 0.0012478600000000, -0.0002731200000000 ] - [ 0.0016568300000000, -0.0004398400000000, 0.0031245100000000 ] - [ -0.0066689700000000, -0.0017895500000000, 0.0061866600000000 ] - [ -0.0001488000000000, 0.0004986100000000, 0.0003228000000000 ] - [ -0.0001433700000000, 0.0005025100000000, 0.0003866000000000 ] - [ -0.0013259700000000, -0.0000335800000000, 0.0039676300000000 ] - [ 0.0043233500000000, -0.0005774400000000, 0.0091518100000000 ] - [ -0.0001381400000000, 0.0000977100000000, 0.0003594800000000 ] - [ -0.0000722900000000, 0.0000341200000000, 0.0004147000000000 ] - [ 0.0002400400000000, -0.0000092800000000, 0.0015059300000000 ] - [ 0.0034642000000000, 0.0023748800000000, 0.0035359300000000 ] - [ 0.0002217800000000, -0.0004675100000000, 0.0007627800000000 ] - [ 0.0004686500000000, -0.0010279200000000, 0.0012018600000000 ] - [ 0.0006494500000000, -0.0010204100000000, -0.0017226200000000 ] - [ -0.0032186500000000, -0.0024760200000000, -0.0016155900000000 ] - [ -0.0005098100000000, 0.0005877800000000, -0.0002411900000000 ] - [ -0.0005405900000000, 0.0012469900000000, -0.0002038100000000 ] - [ 0.0016626400000000, 0.0000595700000000, 0.0024332000000000 ] - [ -0.0030187500000000, 0.0003162200000000, 0.0081415500000000 ] - [ 0.0000592200000000, -0.0001708700000000, 0.0003350200000000 ] - [ -0.0000614200000000, -0.0003030000000000, 0.0003918600000000 ] - [ 0.0009640400000000, -0.0010165900000000, -0.0023335700000000 ] - [ 0.0010449200000000, 0.0038997400000000, 0.0002987900000000 ] - [ -0.0004096000000000, -0.0006030500000000, -0.0002683200000000 ] - [ 0.0011673300000000, -0.0018569700000000, 0.0000432900000000 ] - [ -0.0002527700000000, 0.0005058900000000, 0.0006064700000000 ] - [ 0.0007896400000000, 0.0025662900000000, 0.0009252500000000 ] - [ 0.0004124000000000, -0.0005067800000000, -0.0000975400000000 ] - [ -0.0005082000000000, -0.0012935600000000, 0.0004513100000000 ] - [ -0.0027762600000000, 0.0001677500000000, -0.0032283200000000 ] - [ -0.0209022200000000, -0.0157299200000000, -0.0477663100000000 ] - [ 0.0000088100000000, 0.0002007600000000, -0.0000292800000000 ] - [ 0.0000123200000000, 0.0000799100000000, -0.0001249100000000 ] - [ -0.0003890500000000, -0.0005933500000000, 0.0012305900000000 ] - [ 0.0008180100000000, -0.0020041700000000, 0.0037684900000000 ] - [ 0.0001660800000000, -0.0000660000000000, 0.0002336400000000 ] - [ -0.0003732100000000, 0.0010399800000000, 0.0006751500000000 ] - [ 0.0007775500000000, 0.0014629000000000, -0.0012590500000000 ] - [ 0.0014555800000000, 0.0060717000000000, -0.0058044500000000 ] - [ 0.0004254500000000, 0.0004625700000000, -0.0004625700000000 ] - [ -0.0006063600000000, -0.0006287600000000, -0.0008281300000000 ] - [ 0.0030394000000000, -0.0010872800000000, -0.0016542800000000 ] - [ 0.0543025200000000, -0.0204910500000000, -0.1027869400000000 ] - [ 0.0003611100000000, -0.0002503800000000, -0.0001354500000000 ] - [ 0.0003052800000000, -0.0003310400000000, -0.0001180800000000 ] - [ -0.0026870300000000, -0.0008380000000000, -0.0030495100000000 ] - [ -0.0201290400000000, 0.0464117700000000, -0.0769566200000000 ] - [ 0.0001301900000000, -0.0000241300000000, 0.0000240300000000 ] - [ 0.0000998600000000, -0.0000927100000000, -0.0000243200000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002726400000000, -0.0001286600000000, -0.0002608100000000 ] - [ -0.0001454500000000, -0.0001941500000000, -0.0002289000000000 ] - [ 0.0025500200000000, -0.0001470900000000, -0.0012994700000000 ] - [ -0.0019998500000000, -0.0003742500000000, -0.0004243800000000 ] - [ 0.0007102200000000, 0.0001465900000000, 0.0001606900000000 ] - [ -0.0007877700000000, -0.0001197400000000, -0.0002134700000000 ] - [ 0.0066751200000000, -0.0005135200000000, 0.0012664500000000 ] - [ -0.0034930800000000, 0.0008313600000000, -0.0006753600000000 ] - [ 0.0011050900000000, -0.0012980100000000, 0.0023033000000000 ] - [ -0.0047914700000000, 0.0030347900000000, -0.0067762400000000 ] - [ 0.0001061200000000, 0.0001578800000000, -0.0002377000000000 ] - [ -0.0000708100000000, 0.0000197000000000, -0.0001926100000000 ] - [ 0.0500588000000000, -0.0088232700000000, 0.0080934600000000 ] - [ -0.0155307000000000, -0.0008718300000000, 0.0054586400000000 ] - [ 0.0000279000000000, 0.0003649800000000, -0.0001721200000000 ] - [ -0.0001235000000000, 0.0002239100000000, -0.0001931400000000 ] - [ 0.0001265600000000, -0.0003504600000000, -0.0003761600000000 ] - [ -0.0000699100000000, 0.0008031200000000, 0.0002606500000000 ] - [ 0.0000984100000000, 0.0009776600000000, 0.0000591400000000 ] - [ -0.0000442300000000, -0.0001349400000000, 0.0001193400000000 ] - [ 0.0002568600000000, -0.0004121100000000, 0.0004271200000000 ] - [ -0.0002970700000000, 0.0008414900000000, -0.0000169600000000 ] - [ -0.0003748400000000, 0.0027603400000000, 0.0017511400000000 ] - [ -0.0022805300000000, -0.0033550000000000, -0.0018193500000000 ] - [ -0.0037615200000000, -0.0014747700000000, -0.0014101600000000 ] - [ 0.0033544900000000, 0.0004432500000000, 0.0001103300000000 ] - [ -0.0002564000000000, 0.0000973400000000, 0.0001946400000000 ] - [ 0.0003094000000000, -0.0000310300000000, 0.0001441900000000 ] - [ -0.0043186900000000, -0.0015352500000000, 0.0011758900000000 ] - [ 0.0119162700000000, -0.0075093600000000, 0.0025086100000000 ] - [ -0.0005319000000000, -0.0000507500000000, 0.0001839300000000 ] - [ 0.0005879500000000, -0.0003234700000000, 0.0002721900000000 ] - [ 0.0024117800000000, -0.0001519900000000, -0.0004319100000000 ] - [ -0.0017061700000000, 0.0002775900000000, 0.0001753900000000 ] - [ 0.0010780600000000, -0.0001518300000000, -0.0001070400000000 ] - [ -0.0010263700000000, -0.0001530600000000, 0.0002643200000000 ] - [ 0.0019097200000000, -0.0058192600000000, -0.0018052000000000 ] - [ -0.0020682500000000, 0.0029942700000000, 0.0029332000000000 ] - [ 0.0001923000000000, 0.0009068700000000, -0.0001691900000000 ] - [ -0.0008304400000000, -0.0004806900000000, 0.0006148900000000 ] - [ 0.0000404500000000, 0.0000386600000000, -0.0001491400000000 ] - [ 0.0000027300000000, 0.0002840600000000, -0.0001547000000000 ] - [ 0.0004145800000000, 0.0034451300000000, -0.0067412800000000 ] - [ -0.0005518900000000, -0.0021538100000000, 0.0016634200000000 ] - [ -0.0091057700000000, 0.0005369900000000, 0.0026979400000000 ] - [ 0.0464649700000000, 0.0172699600000000, 0.0191186400000000 ] - [ -0.0003009000000000, -0.0000693700000000, -0.0001358100000000 ] - [ 0.0002325300000000, 0.0000330900000000, -0.0001054400000000 ] - [ -0.1231347500000000, -0.0043585600000000, -0.0583745400000000 ] - [ 0.0048735200000000, -0.0001281200000000, 0.0004898700000000 ] - [ -0.0002346700000000, -0.0002329700000000, -0.0001912000000000 ] - [ -0.0000287600000000, -0.0002881400000000, -0.0001542300000000 ] - [ -0.0058402000000000, -0.0021783700000000, -0.0031296200000000 ] - [ 0.0032421200000000, 0.0007633500000000, -0.0003935300000000 ] - [ -0.0003307500000000, -0.0002548000000000, -0.0001015100000000 ] - [ -0.0001698100000000, -0.0001968400000000, -0.0001141500000000 ] - [ -0.0027460100000000, 0.0022975400000000, -0.0008421500000000 ] - [ 0.0018462300000000, -0.0005154300000000, -0.0005672700000000 ] - [ 0.0000128100000000, 0.0003227300000000, 0.0000252300000000 ] - [ 0.0004463800000000, 0.0003107600000000, -0.0000985700000000 ] - [ -0.0023540700000000, 0.0030682600000000, 0.0018358300000000 ] - [ 0.0017420100000000, 0.0002103900000000, -0.0008512000000000 ] - [ -0.0004677800000000, -0.0003425000000000, -0.0000366900000000 ] - [ -0.0000169400000000, 0.0000315100000000, -0.0001515100000000 ] - [ -0.0001498000000000, 0.0002698200000000, -0.0001622100000000 ] - [ 0.0001819600000000, 0.0000479800000000, -0.0001644900000000 ] - [ -0.0043898600000000, -0.0130154800000000, -0.0031789600000000 ] - [ 0.0033972500000000, 0.0003654500000000, -0.0001870800000000 ] - [ -0.0006594500000000, 0.0003114200000000, -0.0000385500000000 ] - [ 0.0012733800000000, -0.0009798700000000, 0.0008909000000000 ] - [ -0.0002435300000000, -0.0001423400000000, 0.0001497600000000 ] - [ 0.0001360100000000, 0.0000878800000000, 0.0001673700000000 ] - [ -0.0032475100000000, -0.0002527100000000, -0.0012784700000000 ] - [ 0.0011614400000000, -0.0005219800000000, 0.0002675400000000 ] - [ -0.0002875100000000, -0.0007287900000000, 0.0005759200000000 ] - [ 0.0006764100000000, 0.0002083200000000, -0.0001970300000000 ] - [ -0.0014260100000000, 0.0001047600000000, 0.0009677900000000 ] - [ 0.0014962800000000, 0.0001356400000000, 0.0002582100000000 ] - [ -0.0000525800000000, -0.0002151000000000, -0.0001411100000000 ] - [ 0.0000887900000000, -0.0002770700000000, -0.0001510800000000 ] - [ -0.0000189000000000, 0.0002593700000000, -0.0000013200000000 ] - [ 0.0005010900000000, -0.0000497300000000, -0.0000779600000000 ] - [ -0.0004854300000000, -0.0003702400000000, -0.0006050300000000 ] - [ 0.0011296500000000, 0.0005367300000000, 0.0007057400000000 ] - [ -0.0004793900000000, 0.0004230300000000, -0.0000616900000000 ] - [ 0.0000650400000000, -0.0005374400000000, -0.0000930400000000 ] - [ -0.0006893900000000, -0.0004957100000000, -0.0001427200000000 ] - [ 0.0002692500000000, -0.0004530800000000, -0.0000208500000000 ] - [ 0.0001235900000000, 0.0001930500000000, -0.0001780300000000 ] - [ 0.0003249400000000, 0.0001898100000000, -0.0000823400000000 ] - [ -0.0018518200000000, -0.0039014700000000, 0.0043856700000000 ] - [ 0.0017708400000000, 0.0015453400000000, -0.0011057800000000 ] - [ 0.0000743700000000, 0.0003842400000000, -0.0001406300000000 ] - [ 0.0001850100000000, 0.0000238000000000, -0.0001400800000000 ] - [ -0.0004015100000000, -0.0003969500000000, 0.0008065600000000 ] - [ 0.0005812600000000, 0.0005979600000000, -0.0003302700000000 ] - [ 0.0033491000000000, 0.0082433000000000, 0.0021041300000000 ] - [ 0.0033378200000000, -0.0044758900000000, -0.0019677000000000 ] - [ -0.0000772800000000, -0.0001011000000000, 0.0000823500000000 ] - [ -0.0000747300000000, 0.0005210900000000, 0.0002338200000000 ] - [ 0.0000971400000000, 0.0010750300000000, 0.0011708800000000 ] - [ -0.0006010800000000, -0.0001344800000000, -0.0006442500000000 ] - [ -0.0001455200000000, -0.0000322500000000, 0.0002103000000000 ] - [ -0.0002466800000000, 0.0003437500000000, -0.0000549600000000 ] - [ 0.0031853100000000, 0.0009199200000000, 0.0104374300000000 ] - [ 0.0006748400000000, 0.0002667100000000, -0.0033886200000000 ] - [ 0.0002220000000000, -0.0003784300000000, 0.0000587700000000 ] - [ 0.0002038700000000, -0.0003508900000000, 0.0000215100000000 ] - [ 0.0040851600000000, -0.0002211400000000, -0.0039194300000000 ] - [ 0.0231288400000000, 0.0035054200000000, 0.0241642000000000 ] - [ -0.0001685600000000, 0.0000448600000000, 0.0000914300000000 ] - [ -0.0002190100000000, 0.0000337400000000, 0.0001298100000000 ] - [ 0.0004165800000000, 0.0014741500000000, 0.0000237900000000 ] - [ -0.0002200500000000, -0.0014446000000000, -0.0000394900000000 ] - [ 0.0001154400000000, -0.0008387000000000, 0.0004075400000000 ] - [ -0.0001268500000000, 0.0010265800000000, -0.0004604500000000 ] - [ 0.0007467800000000, -0.0002861800000000, 0.0016122000000000 ] - [ -0.0008992000000000, 0.0004939600000000, 0.0002372900000000 ] - [ -0.0000158200000000, -0.0000159700000000, -0.0001200500000000 ] - [ -0.0000557300000000, -0.0000461400000000, -0.0001390600000000 ] - [ 0.0001491700000000, 0.0001064900000000, -0.0001783300000000 ] - [ -0.0000690600000000, -0.0001609800000000, -0.0001497700000000 ] - [ 0.0055877100000000, -0.0066173400000000, -0.0035185900000000 ] - [ 0.0038026100000000, 0.0139633900000000, 0.0013569800000000 ] - [ 0.0006295500000000, 0.0007071400000000, 0.0003423200000000 ] - [ -0.0011728600000000, -0.0006923800000000, 0.0007002400000000 ] - [ 0.0000805900000000, 0.0000540100000000, 0.0001207700000000 ] - [ -0.0000777000000000, 0.0003074100000000, 0.0002070800000000 ] - [ 0.0002910200000000, -0.0000214200000000, 0.0001125300000000 ] - [ 0.0001462500000000, -0.0001423400000000, 0.0001097900000000 ] - [ 0.0015429300000000, -0.0013448500000000, 0.0007111800000000 ] - [ -0.0008295600000000, 0.0007598700000000, -0.0001052000000000 ] - [ -0.0001406000000000, 0.0003755700000000, 0.0000087700000000 ] - [ -0.0003527400000000, 0.0001594700000000, 0.0000992900000000 ] - [ 0.0009610600000000, -0.0000116000000000, -0.0012683900000000 ] - [ -0.0014229300000000, 0.0037898400000000, 0.0031059900000000 ] - [ 0.0007901100000000, -0.0001107200000000, -0.0002816400000000 ] - [ -0.0000388100000000, -0.0008893800000000, 0.0012722700000000 ] - [ 0.0008365400000000, -0.0007226200000000, -0.0001988400000000 ] - [ -0.0003888400000000, 0.0003920100000000, 0.0003514300000000 ] - [ 0.0005622000000000, -0.0002041400000000, 0.0002042300000000 ] - [ -0.0002451100000000, -0.0004813400000000, 0.0002764800000000 ] - [ 0.0005624800000000, -0.0004795500000000, 0.0002923600000000 ] - [ -0.0002450100000000, -0.0000761100000000, 0.0002751200000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001806200000000, -0.0003386000000000, -0.0001572800000000 ] - [ 0.0002361700000000, -0.0002787700000000, -0.0001871600000000 ] - [ -0.0024726000000000, -0.0003494000000000, 0.0008392300000000 ] - [ 0.0020828400000000, -0.0000843200000000, 0.0000103000000000 ] - [ -0.0007315400000000, -0.0002072600000000, -0.0005413800000000 ] - [ 0.0007516500000000, 0.0000498600000000, -0.0001740000000000 ] - [ -0.0066985700000000, 0.0004324400000000, -0.0015987700000000 ] - [ 0.0034397300000000, -0.0008672400000000, 0.0002814700000000 ] - [ -0.0009916000000000, 0.0013789300000000, -0.0026903300000000 ] - [ 0.0048020200000000, -0.0029817100000000, 0.0063944400000000 ] - [ -0.0000738000000000, -0.0000970400000000, -0.0001488200000000 ] - [ 0.0000994200000000, 0.0000414100000000, -0.0001939900000000 ] - [ -0.0474636700000000, 0.0087141500000000, -0.0076525600000000 ] - [ 0.0154634800000000, 0.0013536400000000, -0.0058915600000000 ] - [ -0.0001175600000000, 0.0001029500000000, -0.0002427200000000 ] - [ 0.0000308500000000, 0.0002452800000000, -0.0002215200000000 ] - [ -0.0000252200000000, 0.0008145300000000, 0.0007792500000000 ] - [ 0.0001526600000000, -0.0003357300000000, 0.0001526600000000 ] - [ -0.0000002000000000, -0.0005022700000000, 0.0003525900000000 ] - [ 0.0001294400000000, 0.0006058700000000, 0.0002935600000000 ] - [ -0.0002753000000000, 0.0004689000000000, -0.0000321500000000 ] - [ 0.0002509200000000, -0.0007720500000000, 0.0004022700000000 ] - [ 0.0004096100000000, -0.0027094300000000, -0.0013705200000000 ] - [ 0.0022275800000000, 0.0034101900000000, 0.0022065300000000 ] - [ 0.0037631900000000, 0.0013908200000000, 0.0017713600000000 ] - [ -0.0033133600000000, -0.0005006900000000, 0.0002699200000000 ] - [ 0.0002866000000000, -0.0001594200000000, 0.0001908900000000 ] - [ -0.0002796700000000, -0.0000325200000000, 0.0002412000000000 ] - [ 0.0041938500000000, 0.0010341400000000, -0.0007477600000000 ] - [ -0.0119024400000000, 0.0070699100000000, -0.0020357800000000 ] - [ 0.0004412600000000, -0.0004181200000000, 0.0002330500000000 ] - [ -0.0006805200000000, -0.0001507700000000, 0.0001440700000000 ] - [ -0.0023607700000000, -0.0000730300000000, 0.0006617900000000 ] - [ 0.0017646500000000, -0.0005375100000000, 0.0001052900000000 ] - [ -0.0010181000000000, -0.0001030900000000, 0.0003807400000000 ] - [ 0.0010855600000000, -0.0000886200000000, 0.0000057300000000 ] - [ -0.0019352900000000, 0.0060006900000000, 0.0020572900000000 ] - [ 0.0019766200000000, -0.0027604200000000, -0.0026495800000000 ] - [ -0.0002405400000000, -0.0006594100000000, 0.0004522900000000 ] - [ 0.0007626000000000, 0.0007288900000000, -0.0003355000000000 ] - [ 0.0000217000000000, 0.0002052700000000, -0.0001276700000000 ] - [ 0.0000545000000000, -0.0000383400000000, -0.0001214800000000 ] - [ -0.0003131500000000, -0.0031420700000000, 0.0063728900000000 ] - [ 0.0005864200000000, 0.0023992500000000, -0.0019350500000000 ] - [ 0.0089881300000000, -0.0007468600000000, -0.0029269700000000 ] - [ -0.0465441400000000, -0.0182122900000000, -0.0199776000000000 ] - [ 0.0002402300000000, -0.0001795600000000, -0.0001398600000000 ] - [ -0.0002903500000000, -0.0002790500000000, -0.0001694200000000 ] - [ 0.1203855700000000, 0.0051723400000000, 0.0578637100000000 ] - [ -0.0051121700000000, -0.0003037800000000, -0.0008161300000000 ] - [ -0.0000304900000000, -0.0002027300000000, -0.0001266200000000 ] - [ -0.0002349600000000, -0.0001485900000000, -0.0001637400000000 ] - [ 0.0053501000000000, 0.0018464800000000, 0.0029983200000000 ] - [ -0.0036926800000000, -0.0011464100000000, 0.0001498400000000 ] - [ -0.0001303900000000, -0.0001247600000000, -0.0001338200000000 ] - [ -0.0002900600000000, -0.0001817300000000, -0.0001209800000000 ] - [ 0.0031707300000000, -0.0016575200000000, 0.0008127000000000 ] - [ -0.0013998500000000, 0.0012004900000000, 0.0004748000000000 ] - [ 0.0004291000000000, 0.0003591700000000, -0.0001109400000000 ] - [ -0.0000047400000000, 0.0003703700000000, 0.0000124100000000 ] - [ 0.0019086000000000, -0.0031713000000000, -0.0020315900000000 ] - [ -0.0021349500000000, -0.0003455200000000, 0.0006293900000000 ] - [ 0.0000591700000000, 0.0002011500000000, -0.0001854400000000 ] - [ -0.0003900700000000, -0.0001743800000000, -0.0000685600000000 ] - [ 0.0001230900000000, 0.0001672200000000, -0.0001461400000000 ] - [ -0.0002042700000000, 0.0003880200000000, -0.0001442100000000 ] - [ 0.0042473600000000, 0.0135387000000000, 0.0028782500000000 ] - [ -0.0033974000000000, 0.0000580300000000, -0.0001220100000000 ] - [ 0.0005715400000000, -0.0003088100000000, 0.0003303500000000 ] - [ -0.0013526300000000, 0.0009936700000000, -0.0006137700000000 ] - [ 0.0001593400000000, 0.0001454100000000, 0.0001265700000000 ] - [ -0.0002178200000000, -0.0000865600000000, 0.0001079200000000 ] - [ 0.0033064700000000, 0.0002602300000000, 0.0015380900000000 ] - [ -0.0010685100000000, 0.0005289500000000, 0.0000080700000000 ] - [ 0.0003655100000000, 0.0007388700000000, -0.0003076800000000 ] - [ -0.0005885700000000, -0.0002140000000000, 0.0004695900000000 ] - [ 0.0014280500000000, -0.0005412200000000, -0.0012444800000000 ] - [ -0.0014604500000000, -0.0005766500000000, -0.0005689400000000 ] - [ 0.0000763200000000, -0.0002201100000000, -0.0001664100000000 ] - [ -0.0000634800000000, -0.0001580800000000, -0.0001565200000000 ] - [ 0.0004155700000000, -0.0001306800000000, -0.0002139000000000 ] - [ -0.0000854400000000, 0.0001980400000000, -0.0001390800000000 ] - [ 0.0008911000000000, 0.0005184700000000, 0.0003886500000000 ] - [ -0.0007183900000000, -0.0003952200000000, -0.0009234100000000 ] - [ 0.0000322900000000, -0.0010945200000000, -0.0000247100000000 ] - [ -0.0005027900000000, -0.0001403400000000, 0.0000064300000000 ] - [ 0.0002424200000000, -0.0001880700000000, 0.0000529900000000 ] - [ -0.0007054600000000, -0.0002335500000000, -0.0000640000000000 ] - [ 0.0003359900000000, 0.0001866400000000, -0.0000583700000000 ] - [ 0.0001379800000000, 0.0001908300000000, -0.0001529100000000 ] - [ 0.0022530600000000, 0.0042233700000000, -0.0045836800000000 ] - [ -0.0012986000000000, -0.0011665200000000, 0.0008748200000000 ] - [ 0.0001883800000000, 0.0000533800000000, -0.0001754800000000 ] - [ 0.0000808500000000, 0.0004133900000000, -0.0001773200000000 ] - [ 0.0006522800000000, 0.0008297900000000, -0.0011082800000000 ] - [ -0.0003081700000000, -0.0001646500000000, 0.0000123300000000 ] - [ -0.0035751400000000, -0.0076895100000000, -0.0017617500000000 ] - [ -0.0035863000000000, 0.0049491500000000, 0.0022815700000000 ] - [ -0.0001899000000000, 0.0005386700000000, 0.0002352900000000 ] - [ -0.0001873900000000, -0.0000835600000000, 0.0000835600000000 ] - [ -0.0005604200000000, -0.0006822800000000, -0.0009224300000000 ] - [ 0.0001423200000000, 0.0005146700000000, 0.0008780200000000 ] - [ -0.0003164300000000, 0.0004107200000000, 0.0000252300000000 ] - [ -0.0002121600000000, 0.0000348900000000, 0.0002902900000000 ] - [ -0.0027049100000000, -0.0015764000000000, -0.0101772800000000 ] - [ -0.0002155600000000, -0.0009423200000000, 0.0034736800000000 ] - [ 0.0002205700000000, -0.0003014200000000, 0.0000272300000000 ] - [ 0.0002400200000000, -0.0003289500000000, 0.0000650200000000 ] - [ -0.0044711900000000, 0.0003649300000000, 0.0040659900000000 ] - [ -0.0238804100000000, -0.0033886200000000, -0.0243820800000000 ] - [ -0.0002399900000000, 0.0000985600000000, 0.0001276500000000 ] - [ -0.0001879000000000, 0.0001083600000000, 0.0000897000000000 ] - [ -0.0004386800000000, -0.0018873900000000, 0.0002831000000000 ] - [ 0.0002186600000000, 0.0009914200000000, 0.0003284300000000 ] - [ -0.0001482100000000, 0.0003944300000000, -0.0001020300000000 ] - [ 0.0001052000000000, -0.0014595300000000, 0.0007670500000000 ] - [ -0.0008320200000000, 0.0002793900000000, -0.0018568900000000 ] - [ 0.0008278900000000, -0.0005008800000000, -0.0005091400000000 ] - [ -0.0000675200000000, 0.0000147400000000, -0.0001543100000000 ] - [ -0.0000258100000000, 0.0000446800000000, -0.0001351100000000 ] - [ -0.0000661200000000, -0.0001020000000000, -0.0000979400000000 ] - [ 0.0001514100000000, 0.0001616900000000, -0.0001254400000000 ] - [ -0.0054539300000000, 0.0065125700000000, 0.0031940200000000 ] - [ -0.0037302400000000, -0.0140916400000000, -0.0016195000000000 ] - [ -0.0006142800000000, -0.0002713900000000, -0.0000312200000000 ] - [ 0.0012089000000000, 0.0011341500000000, -0.0003842600000000 ] - [ -0.0000564500000000, 0.0003808800000000, 0.0001878600000000 ] - [ 0.0001040300000000, 0.0001306500000000, 0.0001011900000000 ] - [ 0.0001160900000000, -0.0001190100000000, 0.0001083600000000 ] - [ 0.0002630100000000, -0.0000010200000000, 0.0001098200000000 ] - [ -0.0011296100000000, 0.0011861200000000, -0.0004823700000000 ] - [ 0.0012451100000000, -0.0009058400000000, 0.0003273700000000 ] - [ -0.0003012800000000, 0.0003069400000000, 0.0000776700000000 ] - [ -0.0000898600000000, 0.0005181300000000, -0.0000134400000000 ] - [ -0.0014103100000000, 0.0006743500000000, 0.0013400800000000 ] - [ 0.0010182400000000, -0.0030713100000000, -0.0029885300000000 ] - [ -0.0003312900000000, -0.0002614700000000, 0.0005112600000000 ] - [ 0.0005183900000000, 0.0004916500000000, -0.0010056800000000 ] - [ -0.0003849000000000, 0.0003472100000000, 0.0004407100000000 ] - [ 0.0008508400000000, -0.0007687000000000, -0.0001165500000000 ] - [ -0.0002980000000000, -0.0002289600000000, 0.0001131500000000 ] - [ 0.0005109500000000, 0.0000423000000000, 0.0000471300000000 ] - [ -0.0002976800000000, 0.0000354100000000, 0.0000275800000000 ] - [ 0.0005110500000000, -0.0003532500000000, 0.0000424600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000540700000000, -0.0024325100000000, -0.0000987700000000 ] - [ 0.0000185400000000, -0.0016504200000000, -0.0002496000000000 ] - [ -0.0005387200000000, -0.0002209900000000, -0.0029058900000000 ] - [ 0.0002151400000000, 0.0009629000000000, -0.0004842600000000 ] - [ -0.0001443500000000, -0.0041814000000000, -0.0014310600000000 ] - [ -0.0000090800000000, -0.0020055200000000, -0.0005510600000000 ] - [ -0.0001038200000000, -0.0052732900000000, 0.0084450700000000 ] - [ 0.0001262500000000, 0.0002310400000000, 0.0003485500000000 ] - [ -0.0002256700000000, 0.0073073600000000, 0.0008656000000000 ] - [ -0.0000933700000000, 0.0039012200000000, -0.0015217000000000 ] - [ 0.0000804300000000, -0.0023347600000000, -0.0001793600000000 ] - [ 0.0001428800000000, -0.0022001800000000, -0.0001528200000000 ] - [ -0.0101983600000000, 0.0186667000000000, 0.0005373600000000 ] - [ -0.0018422700000000, 0.0104322400000000, 0.0016207900000000 ] - [ -0.0001828100000000, -0.0022731300000000, -0.0001309000000000 ] - [ 0.0000790600000000, -0.0021583600000000, -0.0001607800000000 ] - [ -0.0012910900000000, -0.0003797000000000, -0.0003664300000000 ] - [ 0.0010376800000000, -0.0003318500000000, -0.0000109300000000 ] - [ 0.0005868300000000, -0.0006356400000000, 0.0001588800000000 ] - [ -0.0003043500000000, -0.0005229500000000, 0.0000003800000000 ] - [ -0.0021967400000000, -0.0024551300000000, 0.0009865000000000 ] - [ 0.0023392600000000, -0.0032515700000000, 0.0009655700000000 ] - [ 0.0070891800000000, -0.0051861000000000, -0.0027914800000000 ] - [ -0.0033483700000000, -0.0034918500000000, -0.0023347100000000 ] - [ 0.0000252300000000, 0.0034441200000000, -0.0006186500000000 ] - [ 0.0014579100000000, 0.0049820100000000, -0.0031804900000000 ] - [ 0.0000305400000000, -0.0021275000000000, 0.0003425400000000 ] - [ -0.0001693400000000, -0.0023764400000000, 0.0004764400000000 ] - [ -0.0007780100000000, 0.0022875700000000, 0.0013617600000000 ] - [ -0.0068922400000000, 0.0412682300000000, -0.0012961900000000 ] - [ 0.0001592100000000, -0.0024182000000000, 0.0003986100000000 ] - [ -0.0003019200000000, -0.0032630200000000, 0.0001460600000000 ] - [ 0.0000981500000000, -0.0014397000000000, 0.0073250800000000 ] - [ 0.0000935300000000, 0.0013580400000000, 0.0008653600000000 ] - [ -0.0003487800000000, -0.0030178600000000, -0.0009582900000000 ] - [ 0.0001093800000000, -0.0020357300000000, -0.0010763300000000 ] - [ -0.0070099700000000, -0.0020709300000000, -0.0023244600000000 ] - [ 0.0047822200000000, 0.0003790200000000, -0.0040294000000000 ] - [ 0.0012458900000000, -0.0031096200000000, 0.0013677900000000 ] - [ -0.0013544800000000, -0.0026032800000000, 0.0011670400000000 ] - [ -0.0002766000000000, -0.0025821900000000, -0.0004240700000000 ] - [ 0.0004504500000000, -0.0025126400000000, -0.0004202900000000 ] - [ 0.0016671600000000, 0.0034860300000000, 0.0018971100000000 ] - [ -0.0007627600000000, 0.0039295200000000, 0.0005302800000000 ] - [ 0.0002688500000000, 0.0036627300000000, -0.0007636700000000 ] - [ 0.0198159300000000, 0.0852944400000000, 0.0431864600000000 ] - [ 0.0000524900000000, -0.0028328400000000, 0.0000573300000000 ] - [ -0.0000173000000000, -0.0035372000000000, -0.0000112700000000 ] - [ -0.0037711600000000, -0.1857975200000000, -0.0610434400000000 ] - [ -0.0000495400000000, -0.0026368300000000, -0.0003836900000000 ] - [ -0.0001471700000000, 0.0016416200000000, 0.0000820300000000 ] - [ -0.0002023700000000, 0.0013143500000000, 0.0000013400000000 ] - [ -0.0012686400000000, -0.0036110600000000, 0.0052957400000000 ] - [ -0.0006469100000000, -0.0014587200000000, 0.0002454800000000 ] - [ 0.0002563000000000, 0.0010387600000000, -0.0002426200000000 ] - [ 0.0001445900000000, 0.0008197800000000, -0.0002408900000000 ] - [ 0.0025758300000000, 0.0023275300000000, -0.0101202300000000 ] - [ 0.0006359900000000, -0.0008655300000000, -0.0006237300000000 ] - [ -0.0001982500000000, 0.0015733900000000, 0.0001285400000000 ] - [ -0.0003833200000000, 0.0015321400000000, 0.0000740300000000 ] - [ 0.0044128900000000, 0.0041431600000000, 0.0087871900000000 ] - [ -0.0016768500000000, -0.0013463100000000, 0.0010202800000000 ] - [ 0.0001843500000000, 0.0013356400000000, -0.0007258400000000 ] - [ 0.0000613500000000, 0.0008144900000000, -0.0004437300000000 ] - [ -0.0001947100000000, 0.0018719100000000, -0.0003932400000000 ] - [ -0.0005827500000000, 0.0015866900000000, -0.0002220200000000 ] - [ -0.0115373500000000, 0.0297192800000000, 0.0076504300000000 ] - [ 0.0013493900000000, -0.0010765400000000, 0.0000287300000000 ] - [ 0.0005865100000000, -0.0010207300000000, -0.0015958800000000 ] - [ -0.0003094900000000, -0.0010928500000000, 0.0001351800000000 ] - [ 0.0000321400000000, 0.0011765100000000, 0.0003984100000000 ] - [ 0.0000444200000000, 0.0009597100000000, 0.0003425000000000 ] - [ 0.0053329900000000, 0.0042043900000000, 0.0022339600000000 ] - [ -0.0013312600000000, 0.0004283400000000, 0.0000134100000000 ] - [ -0.0004617800000000, 0.0032267600000000, -0.0010235200000000 ] - [ 0.0006929600000000, 0.0008875000000000, -0.0002763300000000 ] - [ 0.0003753800000000, -0.0026928100000000, 0.0002891200000000 ] - [ 0.0004439200000000, -0.0015356200000000, -0.0000319300000000 ] - [ -0.0002598500000000, 0.0010631000000000, -0.0000464800000000 ] - [ -0.0003027900000000, 0.0008760600000000, -0.0000453100000000 ] - [ 0.0014582200000000, 0.0016468100000000, -0.0008319600000000 ] - [ -0.0005952900000000, -0.0002157600000000, -0.0005644600000000 ] - [ 0.0006060000000000, 0.0015023600000000, 0.0012236800000000 ] - [ 0.0009612100000000, 0.0008347500000000, 0.0010601000000000 ] - [ 0.0003445600000000, 0.0013511000000000, 0.0015236200000000 ] - [ -0.0010220200000000, -0.0000145600000000, 0.0005963000000000 ] - [ -0.0012772400000000, 0.0008158400000000, -0.0009652300000000 ] - [ -0.0001108400000000, -0.0000136300000000, -0.0003318300000000 ] - [ 0.0009577100000000, 0.0015811900000000, 0.0001170900000000 ] - [ 0.0005615100000000, 0.0012075300000000, 0.0000039400000000 ] - [ -0.0024806200000000, -0.0013743600000000, -0.0033261200000000 ] - [ 0.0002125100000000, -0.0009608700000000, -0.0008732000000000 ] - [ 0.0002990200000000, 0.0015004700000000, -0.0002833900000000 ] - [ -0.0000635300000000, 0.0012302200000000, -0.0001878000000000 ] - [ -0.0004826700000000, -0.0002187200000000, -0.0001112200000000 ] - [ 0.0005136100000000, -0.0003951800000000, -0.0001632300000000 ] - [ 0.0046056000000000, -0.0018226200000000, 0.0010260500000000 ] - [ -0.0081462000000000, -0.0018185400000000, 0.0025727400000000 ] - [ -0.0004336500000000, 0.0019956100000000, 0.0003077400000000 ] - [ 0.0001873800000000, 0.0019966300000000, 0.0002938800000000 ] - [ 0.0016001900000000, -0.0004963600000000, 0.0014515600000000 ] - [ -0.0006059200000000, -0.0003811500000000, 0.0014690800000000 ] - [ -0.0008208300000000, 0.0012278900000000, -0.0001628800000000 ] - [ -0.0004057000000000, 0.0011288000000000, -0.0002924500000000 ] - [ -0.0008033000000000, -0.0022411400000000, -0.0015842500000000 ] - [ -0.0008461300000000, -0.0033351900000000, 0.0001314900000000 ] - [ 0.0006469200000000, 0.0007515100000000, 0.0000307900000000 ] - [ 0.0005765500000000, 0.0007894900000000, 0.0000186700000000 ] - [ 0.0000663400000000, -0.0021877400000000, 0.0007079100000000 ] - [ -0.0008519200000000, -0.0080609100000000, 0.0000044100000000 ] - [ -0.0004688100000000, 0.0011066100000000, -0.0001243000000000 ] - [ -0.0005847300000000, 0.0013262400000000, -0.0001353900000000 ] - [ 0.0017096800000000, 0.0003725300000000, 0.0001668200000000 ] - [ -0.0040981100000000, 0.0039517500000000, 0.0034396700000000 ] - [ -0.0007148300000000, 0.0005383700000000, -0.0004511000000000 ] - [ 0.0011236300000000, 0.0023780900000000, -0.0004366300000000 ] - [ -0.0000104600000000, -0.0015360100000000, -0.0006244200000000 ] - [ 0.0003641800000000, -0.0021924500000000, 0.0004272500000000 ] - [ -0.0000864900000000, 0.0011398900000000, 0.0000016600000000 ] - [ -0.0002321800000000, 0.0012741800000000, -0.0000269400000000 ] - [ 0.0000161300000000, 0.0012652800000000, -0.0002301700000000 ] - [ -0.0001453700000000, 0.0016669400000000, -0.0004224100000000 ] - [ -0.0007756600000000, -0.0024976700000000, -0.0009791900000000 ] - [ 0.0115644000000000, 0.0088273000000000, 0.0021567700000000 ] - [ -0.0001847800000000, -0.0009959800000000, 0.0001820400000000 ] - [ -0.0015652700000000, -0.0015333200000000, -0.0009764200000000 ] - [ 0.0002396100000000, 0.0012394700000000, 0.0004355100000000 ] - [ 0.0003964900000000, 0.0013348300000000, 0.0003949800000000 ] - [ 0.0000931000000000, 0.0007970500000000, 0.0004538500000000 ] - [ -0.0004413900000000, 0.0011514100000000, 0.0007860400000000 ] - [ -0.0001913000000000, -0.0006040700000000, -0.0002784100000000 ] - [ 0.0017165000000000, -0.0015880500000000, -0.0011486400000000 ] - [ 0.0003672700000000, 0.0013729800000000, -0.0001529500000000 ] - [ 0.0001531900000000, 0.0017277700000000, -0.0001122900000000 ] - [ -0.0012679200000000, -0.0007905500000000, 0.0005736000000000 ] - [ 0.0030279200000000, 0.0034598700000000, 0.0054531500000000 ] - [ 0.0008279600000000, -0.0005336500000000, -0.0003699100000000 ] - [ -0.0021110500000000, 0.0034758500000000, -0.0066760500000000 ] - [ -0.0015197800000000, 0.0015619100000000, 0.0012798900000000 ] - [ -0.0001929300000000, 0.0011341600000000, 0.0006053200000000 ] - [ 0.0003909300000000, -0.0000880100000000, 0.0001742200000000 ] - [ -0.0000060400000000, 0.0006087500000000, -0.0008369100000000 ] - [ 0.0001198200000000, -0.0000782500000000, 0.0003668400000000 ] - [ 0.0003941100000000, 0.0006160600000000, 0.0003782600000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000357900000000, 0.0019511600000000, -0.0003151700000000 ] - [ 0.0000732400000000, 0.0011775300000000, -0.0001660700000000 ] - [ 0.0006168500000000, -0.0002775100000000, 0.0024733000000000 ] - [ -0.0001199400000000, -0.0014454300000000, 0.0000674000000000 ] - [ 0.0001075800000000, 0.0040804600000000, 0.0010254500000000 ] - [ -0.0000178900000000, 0.0019350200000000, 0.0001622100000000 ] - [ 0.0000675000000000, 0.0051790900000000, -0.0088752300000000 ] - [ -0.0001435800000000, -0.0003170900000000, -0.0007346700000000 ] - [ 0.0002596800000000, -0.0071721300000000, -0.0012775200000000 ] - [ 0.0001001400000000, -0.0037819000000000, 0.0010830700000000 ] - [ -0.0000513300000000, 0.0023831600000000, -0.0002048900000000 ] - [ -0.0001109700000000, 0.0022485000000000, -0.0002306900000000 ] - [ 0.0100479900000000, -0.0180471300000000, -0.0009488400000000 ] - [ 0.0016785400000000, -0.0099469200000000, -0.0019958000000000 ] - [ 0.0000891000000000, 0.0027287900000000, -0.0002847100000000 ] - [ -0.0001673000000000, 0.0026130700000000, -0.0002554100000000 ] - [ 0.0013686100000000, 0.0008573200000000, 0.0007763900000000 ] - [ -0.0009344900000000, 0.0008091000000000, 0.0004228600000000 ] - [ -0.0004951900000000, 0.0010846200000000, 0.0002583000000000 ] - [ 0.0003945600000000, 0.0009770400000000, 0.0004144600000000 ] - [ 0.0021395600000000, 0.0025049500000000, -0.0005876800000000 ] - [ -0.0023352900000000, 0.0032851700000000, -0.0005662800000000 ] - [ -0.0071588500000000, 0.0052475900000000, 0.0031914800000000 ] - [ 0.0033213300000000, 0.0035409400000000, 0.0027338300000000 ] - [ 0.0000169100000000, -0.0034622000000000, 0.0010037000000000 ] - [ -0.0014219700000000, -0.0049793300000000, 0.0035565900000000 ] - [ -0.0000009800000000, 0.0020512900000000, 0.0000436500000000 ] - [ 0.0001994600000000, 0.0022992500000000, -0.0000908600000000 ] - [ 0.0006953200000000, -0.0027150300000000, -0.0009365500000000 ] - [ 0.0061427200000000, -0.0391554600000000, 0.0015787200000000 ] - [ -0.0002514800000000, 0.0019356000000000, 0.0000161900000000 ] - [ 0.0002132300000000, 0.0027811100000000, 0.0002697500000000 ] - [ -0.0000607700000000, 0.0012193600000000, -0.0069734400000000 ] - [ -0.0000327400000000, -0.0015709500000000, -0.0005818700000000 ] - [ 0.0004120700000000, 0.0027528200000000, 0.0012401100000000 ] - [ -0.0000511700000000, 0.0017699600000000, 0.0013571500000000 ] - [ 0.0068674600000000, 0.0023485000000000, 0.0025742300000000 ] - [ -0.0047753800000000, -0.0001037400000000, 0.0042552400000000 ] - [ -0.0013083000000000, 0.0033389200000000, -0.0010992600000000 ] - [ 0.0012964900000000, 0.0028321000000000, -0.0008925900000000 ] - [ 0.0003319700000000, 0.0028149400000000, 0.0001433900000000 ] - [ -0.0003851800000000, 0.0027438100000000, 0.0001399300000000 ] - [ -0.0015959300000000, -0.0032548500000000, -0.0021172700000000 ] - [ 0.0008150400000000, -0.0036952300000000, -0.0007994900000000 ] - [ -0.0002988200000000, -0.0039329600000000, 0.0004780100000000 ] - [ -0.0216968500000000, -0.0887709000000000, -0.0470509500000000 ] - [ -0.0001104800000000, 0.0025721800000000, -0.0003309400000000 ] - [ -0.0000425100000000, 0.0032674800000000, -0.0002621000000000 ] - [ 0.0057848300000000, 0.1863919000000000, 0.0644301800000000 ] - [ -0.0002250100000000, 0.0021820400000000, 0.0000640500000000 ] - [ -0.0001168300000000, -0.0020676500000000, -0.0003985300000000 ] - [ -0.0000626400000000, -0.0017430400000000, -0.0003190400000000 ] - [ 0.0008286700000000, 0.0033067100000000, -0.0054857000000000 ] - [ 0.0001940400000000, 0.0010837100000000, -0.0004745800000000 ] - [ -0.0007126900000000, -0.0014102300000000, 0.0000047400000000 ] - [ -0.0006033100000000, -0.0011941400000000, 0.0000037500000000 ] - [ -0.0020814500000000, -0.0016755300000000, 0.0099368200000000 ] - [ -0.0001862700000000, 0.0015262000000000, 0.0005323200000000 ] - [ 0.0006386900000000, -0.0008867800000000, -0.0002161000000000 ] - [ 0.0008260400000000, -0.0008474900000000, -0.0001607800000000 ] - [ -0.0047595800000000, -0.0042524100000000, -0.0088611600000000 ] - [ 0.0012483900000000, 0.0011858000000000, -0.0012266500000000 ] - [ -0.0005911700000000, -0.0014730200000000, 0.0005070400000000 ] - [ -0.0004667500000000, -0.0009498200000000, 0.0002230600000000 ] - [ 0.0001710800000000, -0.0014252600000000, 0.0000828600000000 ] - [ 0.0005522700000000, -0.0011421900000000, -0.0000860700000000 ] - [ 0.0118444300000000, -0.0299810400000000, -0.0081106700000000 ] - [ -0.0013818000000000, 0.0015208300000000, -0.0003401100000000 ] - [ -0.0006638500000000, 0.0010053200000000, 0.0018569500000000 ] - [ 0.0002256400000000, 0.0010713900000000, 0.0001410400000000 ] - [ -0.0001144100000000, -0.0011661000000000, -0.0001236900000000 ] - [ -0.0001265000000000, -0.0009489200000000, -0.0000671100000000 ] - [ -0.0051620400000000, -0.0041620800000000, -0.0019219300000000 ] - [ 0.0013943400000000, -0.0004354600000000, 0.0002586300000000 ] - [ 0.0005456100000000, -0.0032298600000000, 0.0013036600000000 ] - [ -0.0006092000000000, -0.0008807800000000, 0.0005516600000000 ] - [ -0.0003432300000000, 0.0022406800000000, -0.0005989200000000 ] - [ -0.0004128100000000, 0.0010974600000000, -0.0002725400000000 ] - [ 0.0002831200000000, -0.0014918700000000, -0.0002602100000000 ] - [ 0.0003248900000000, -0.0013057800000000, -0.0002615500000000 ] - [ -0.0010376400000000, -0.0014991400000000, 0.0006033800000000 ] - [ 0.0009905600000000, 0.0003480500000000, 0.0003373100000000 ] - [ -0.0001977200000000, -0.0013542800000000, -0.0014486800000000 ] - [ -0.0005514200000000, -0.0006845800000000, -0.0012807900000000 ] - [ -0.0007788200000000, -0.0020214700000000, -0.0015886200000000 ] - [ 0.0005694400000000, -0.0006674600000000, -0.0006729400000000 ] - [ 0.0008327300000000, -0.0014851600000000, 0.0008828300000000 ] - [ -0.0003361100000000, -0.0006590800000000, 0.0002456200000000 ] - [ -0.0004902100000000, -0.0011932600000000, -0.0003494500000000 ] - [ -0.0001000400000000, -0.0008231300000000, -0.0002383800000000 ] - [ 0.0029438800000000, 0.0017971900000000, 0.0030532400000000 ] - [ 0.0002477900000000, 0.0013466900000000, 0.0006391500000000 ] - [ -0.0000319200000000, -0.0010593100000000, -0.0000343100000000 ] - [ 0.0003260100000000, -0.0007906000000000, -0.0001288400000000 ] - [ 0.0007437800000000, 0.0006675600000000, -0.0002118700000000 ] - [ -0.0002491500000000, 0.0008384600000000, -0.0001552000000000 ] - [ -0.0048192900000000, 0.0021922300000000, -0.0007070400000000 ] - [ 0.0077859400000000, 0.0021966600000000, -0.0022271100000000 ] - [ 0.0001710700000000, -0.0015508800000000, 0.0000117900000000 ] - [ -0.0004523700000000, -0.0015498600000000, 0.0000260700000000 ] - [ -0.0020397400000000, 0.0008591300000000, -0.0012062300000000 ] - [ 0.0001450300000000, 0.0007462600000000, -0.0012165300000000 ] - [ 0.0003572400000000, -0.0008413200000000, 0.0003991300000000 ] - [ -0.0000581100000000, -0.0007423100000000, 0.0005285000000000 ] - [ 0.0012205000000000, 0.0015355500000000, 0.0015911500000000 ] - [ 0.0013032300000000, 0.0026468100000000, -0.0000716300000000 ] - [ -0.0002003300000000, -0.0014254100000000, 0.0000564300000000 ] - [ -0.0001317100000000, -0.0014629800000000, 0.0000682300000000 ] - [ -0.0005039000000000, 0.0023261500000000, -0.0004535600000000 ] - [ 0.0006146900000000, 0.0082284700000000, 0.0003579600000000 ] - [ 0.0000601900000000, -0.0009590700000000, 0.0003420200000000 ] - [ 0.0001737400000000, -0.0011752400000000, 0.0003525100000000 ] - [ -0.0017149900000000, -0.0008168000000000, 0.0001417600000000 ] - [ 0.0040041100000000, -0.0043263000000000, -0.0030759100000000 ] - [ 0.0006964900000000, -0.0009642300000000, 0.0007622800000000 ] - [ -0.0011457700000000, -0.0028081500000000, 0.0007449700000000 ] - [ -0.0000761900000000, 0.0015282600000000, 0.0003349700000000 ] - [ -0.0004460300000000, 0.0021824600000000, -0.0006955100000000 ] - [ 0.0000041700000000, -0.0011364900000000, -0.0002759300000000 ] - [ 0.0001482100000000, -0.0012688200000000, -0.0002472300000000 ] - [ 0.0000677100000000, -0.0012570100000000, -0.0000457200000000 ] - [ 0.0002271000000000, -0.0016523400000000, 0.0001445300000000 ] - [ 0.0008434200000000, 0.0025654100000000, 0.0007324400000000 ] - [ -0.0116789600000000, -0.0089603700000000, -0.0024135900000000 ] - [ 0.0002074800000000, 0.0014147900000000, 0.0001252800000000 ] - [ 0.0015735900000000, 0.0019391600000000, 0.0012742400000000 ] - [ -0.0002133000000000, -0.0007962000000000, -0.0001296500000000 ] - [ -0.0003695200000000, -0.0008898900000000, -0.0000878200000000 ] - [ 0.0003154800000000, -0.0009365200000000, -0.0002315400000000 ] - [ 0.0008443000000000, -0.0012858100000000, -0.0005588300000000 ] - [ 0.0005886400000000, 0.0004724600000000, 0.0004945800000000 ] - [ -0.0013026300000000, 0.0014516200000000, 0.0013752900000000 ] - [ -0.0008047800000000, -0.0006868000000000, 0.0002367400000000 ] - [ -0.0005930400000000, -0.0010380500000000, 0.0001949800000000 ] - [ 0.0008297200000000, 0.0014844200000000, -0.0004842200000000 ] - [ -0.0034615700000000, -0.0027443600000000, -0.0053617700000000 ] - [ -0.0003593700000000, 0.0001429100000000, 0.0006010200000000 ] - [ 0.0025434700000000, -0.0038110800000000, 0.0067949500000000 ] - [ 0.0019870500000000, -0.0019414200000000, -0.0010513400000000 ] - [ 0.0006507500000000, -0.0015060900000000, -0.0003722200000000 ] - [ -0.0001243700000000, -0.0003563400000000, 0.0001444000000000 ] - [ 0.0002707500000000, -0.0010441400000000, 0.0011415500000000 ] - [ 0.0001443000000000, -0.0003467300000000, -0.0000517200000000 ] - [ -0.0001297700000000, -0.0010368500000000, -0.0000637000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000254600000000, -0.0002777300000000, -0.0003612900000000 ] - [ 0.0000132200000000, -0.0003046000000000, -0.0002712900000000 ] - [ -0.0012496800000000, -0.0033218800000000, -0.0052056300000000 ] - [ -0.0002980400000000, -0.0004516900000000, -0.0009565900000000 ] - [ 0.0004818500000000, -0.0009732300000000, -0.0001125300000000 ] - [ -0.0002405500000000, -0.0005616700000000, -0.0003030800000000 ] - [ 0.0006655400000000, 0.0040838300000000, 0.0013799200000000 ] - [ -0.0008838300000000, 0.0007788400000000, -0.0002110600000000 ] - [ 0.0057168800000000, 0.0038326800000000, -0.0032869600000000 ] - [ -0.0033466000000000, 0.0023916700000000, -0.0053123400000000 ] - [ 0.0001057700000000, -0.0002882900000000, -0.0002000500000000 ] - [ -0.0000489800000000, -0.0002766600000000, -0.0001751900000000 ] - [ 0.0080427100000000, 0.0033595400000000, 0.0090899800000000 ] - [ 0.0040688600000000, 0.0013305600000000, 0.0056290500000000 ] - [ -0.0000494400000000, -0.0000785900000000, -0.0001419300000000 ] - [ -0.0000545700000000, -0.0000377000000000, -0.0001734100000000 ] - [ 0.0000801600000000, 0.0002721200000000, -0.0011973400000000 ] - [ 0.0000943600000000, 0.0004495400000000, -0.0003353300000000 ] - [ 0.0003029900000000, 0.0002151700000000, -0.0002078100000000 ] - [ -0.0002939700000000, 0.0000434700000000, -0.0001655400000000 ] - [ -0.0000608000000000, -0.0002195200000000, 0.0011735100000000 ] - [ 0.0000182400000000, -0.0001576700000000, 0.0005275500000000 ] - [ 0.0020619900000000, -0.0007652700000000, 0.0006166900000000 ] - [ -0.0010817300000000, -0.0009400200000000, 0.0012794000000000 ] - [ -0.0008783800000000, 0.0000425300000000, -0.0012890700000000 ] - [ 0.0008848700000000, -0.0004766600000000, -0.0055888100000000 ] - [ -0.0000407900000000, -0.0002226000000000, 0.0001348200000000 ] - [ 0.0000078300000000, -0.0003348000000000, 0.0000807700000000 ] - [ -0.0012795000000000, -0.0003889000000000, 0.0014831400000000 ] - [ 0.0030679000000000, -0.0050988700000000, 0.0105709300000000 ] - [ -0.0000771500000000, -0.0003931200000000, 0.0003230000000000 ] - [ -0.0000545300000000, -0.0006264500000000, 0.0003971000000000 ] - [ -0.0018468300000000, 0.0029497400000000, -0.0010119800000000 ] - [ -0.0001820500000000, 0.0007464600000000, 0.0004260300000000 ] - [ 0.0002191500000000, -0.0011249700000000, 0.0001345100000000 ] - [ -0.0000706200000000, -0.0003468400000000, -0.0000405000000000 ] - [ -0.0032848000000000, -0.0040926000000000, 0.0002306200000000 ] - [ 0.0004635100000000, -0.0010538800000000, -0.0005426400000000 ] - [ 0.0003276400000000, 0.0001463600000000, 0.0004885000000000 ] - [ -0.0002486400000000, -0.0000113300000000, 0.0002542400000000 ] - [ 0.0000066700000000, -0.0003056900000000, -0.0003640900000000 ] - [ 0.0000705100000000, -0.0001917600000000, -0.0003001700000000 ] - [ -0.0007799400000000, 0.0000083300000000, -0.0061664000000000 ] - [ 0.0005075100000000, 0.0022009700000000, -0.0031011400000000 ] - [ -0.0021448900000000, -0.0004288500000000, 0.0030587900000000 ] - [ 0.0228352700000000, 0.0469248100000000, 0.0749024600000000 ] - [ -0.0000584500000000, -0.0004267100000000, -0.0000052900000000 ] - [ 0.0000366400000000, -0.0004964500000000, 0.0000429700000000 ] - [ -0.0575054300000000, -0.0613654500000000, -0.1073725700000000 ] - [ 0.0005197700000000, -0.0004402500000000, -0.0011104900000000 ] - [ -0.0001649000000000, 0.0000201400000000, -0.0001596200000000 ] - [ -0.0001276200000000, -0.0000598700000000, -0.0001570600000000 ] - [ -0.0012514100000000, 0.0067336400000000, 0.0114758000000000 ] - [ 0.0014272100000000, 0.0003796700000000, -0.0000445600000000 ] - [ -0.0001876200000000, -0.0000676800000000, -0.0001704800000000 ] - [ -0.0001683800000000, -0.0000706200000000, -0.0001598800000000 ] - [ 0.0009324100000000, -0.0058221800000000, 0.0030914500000000 ] - [ 0.0010007000000000, -0.0003844900000000, -0.0005640800000000 ] - [ 0.0001297100000000, 0.0005733300000000, -0.0000679800000000 ] - [ 0.0001793700000000, 0.0004901900000000, -0.0000661300000000 ] - [ 0.0027280200000000, 0.0072659000000000, 0.0043147100000000 ] - [ -0.0002395800000000, -0.0000325600000000, 0.0000547700000000 ] - [ -0.0002360000000000, 0.0000209900000000, -0.0002311100000000 ] - [ -0.0001582900000000, 0.0000023300000000, -0.0001518700000000 ] - [ -0.0000519400000000, 0.0004915100000000, -0.0003084100000000 ] - [ -0.0000063500000000, 0.0003590200000000, -0.0002384200000000 ] - [ -0.0004189700000000, 0.0024962000000000, -0.0065615600000000 ] - [ 0.0008079300000000, 0.0002039600000000, -0.0007867600000000 ] - [ -0.0001668000000000, -0.0002523500000000, 0.0018149300000000 ] - [ 0.0003799400000000, -0.0006718300000000, 0.0006632600000000 ] - [ -0.0001362400000000, 0.0002434800000000, 0.0002579700000000 ] - [ 0.0000176700000000, 0.0001305600000000, 0.0001822100000000 ] - [ -0.0003577800000000, 0.0009704800000000, -0.0006032000000000 ] - [ -0.0000045100000000, 0.0004078700000000, 0.0000924400000000 ] - [ -0.0000936100000000, 0.0005237600000000, -0.0002905400000000 ] - [ 0.0002733400000000, 0.0000777500000000, -0.0000968100000000 ] - [ -0.0005664700000000, -0.0004108000000000, 0.0029132200000000 ] - [ 0.0000961200000000, -0.0000876900000000, 0.0011683400000000 ] - [ -0.0000427200000000, -0.0000606100000000, -0.0000935200000000 ] - [ 0.0000032700000000, -0.0001114200000000, -0.0001066100000000 ] - [ -0.0003122200000000, -0.0010562900000000, 0.0000522200000000 ] - [ 0.0000959700000000, -0.0001281000000000, -0.0001824100000000 ] - [ -0.0000146800000000, 0.0004791700000000, -0.0000453800000000 ] - [ 0.0003942600000000, 0.0002617000000000, -0.0000435400000000 ] - [ -0.0000057000000000, 0.0011760500000000, 0.0007256000000000 ] - [ -0.0002560600000000, -0.0001671800000000, 0.0001538500000000 ] - [ -0.0002767500000000, -0.0006544800000000, -0.0000397600000000 ] - [ -0.0000263800000000, -0.0004906700000000, 0.0000621700000000 ] - [ 0.0003502300000000, 0.0005060100000000, -0.0000516900000000 ] - [ 0.0003358000000000, 0.0003630000000000, -0.0000542200000000 ] - [ 0.0023468300000000, -0.0028669900000000, 0.0045437500000000 ] - [ -0.0000265300000000, -0.0001196600000000, -0.0004256900000000 ] - [ 0.0001149100000000, 0.0003428700000000, 0.0000184200000000 ] - [ 0.0001141400000000, 0.0002477400000000, -0.0001116800000000 ] - [ -0.0008208300000000, 0.0001647700000000, 0.0014874200000000 ] - [ 0.0003023000000000, 0.0002211800000000, 0.0001754300000000 ] - [ 0.0019820200000000, 0.0026135700000000, -0.0002784000000000 ] - [ -0.0020513700000000, 0.0010907400000000, -0.0002801500000000 ] - [ -0.0002080800000000, 0.0003519900000000, 0.0001406600000000 ] - [ -0.0000558100000000, 0.0003660100000000, 0.0001406900000000 ] - [ 0.0007384700000000, 0.0004683500000000, 0.0012202500000000 ] - [ -0.0006566100000000, 0.0005555800000000, 0.0005422700000000 ] - [ -0.0002391500000000, 0.0002069800000000, 0.0001830000000000 ] - [ -0.0001883000000000, 0.0002617600000000, 0.0001693200000000 ] - [ 0.0011998300000000, -0.0003646400000000, 0.0021492100000000 ] - [ -0.0029368700000000, -0.0020509600000000, 0.0033914500000000 ] - [ 0.0002840500000000, -0.0002012900000000, 0.0000631200000000 ] - [ 0.0002824800000000, -0.0001923000000000, 0.0000648600000000 ] - [ -0.0009795200000000, 0.0004773700000000, -0.0028337300000000 ] - [ 0.0179474700000000, 0.0031208900000000, 0.0070306400000000 ] - [ -0.0002406200000000, 0.0001984000000000, 0.0000329300000000 ] - [ -0.0002382400000000, 0.0002177900000000, 0.0000404900000000 ] - [ 0.0004524800000000, 0.0005685000000000, -0.0000420900000000 ] - [ 0.0001062400000000, -0.0001703400000000, -0.0000333800000000 ] - [ -0.0002672300000000, -0.0004700300000000, 0.0000365300000000 ] - [ -0.0000946400000000, -0.0001151100000000, -0.0000200100000000 ] - [ -0.0003351200000000, 0.0000758200000000, 0.0009785400000000 ] - [ 0.0006167400000000, -0.0003318100000000, 0.0021598200000000 ] - [ -0.0000542000000000, 0.0001316700000000, -0.0000821800000000 ] - [ -0.0000388300000000, 0.0001458300000000, -0.0000820800000000 ] - [ 0.0000462300000000, 0.0002015900000000, -0.0002427400000000 ] - [ -0.0000440100000000, 0.0002047200000000, -0.0002648300000000 ] - [ 0.0021252400000000, -0.0039358900000000, -0.0023695200000000 ] - [ -0.0027197300000000, -0.0034635600000000, -0.0046481900000000 ] - [ -0.0006024100000000, -0.0004308300000000, 0.0005746000000000 ] - [ -0.0001318700000000, -0.0006338500000000, 0.0011450900000000 ] - [ 0.0000155800000000, 0.0003185400000000, 0.0001986200000000 ] - [ 0.0001405900000000, 0.0005532100000000, 0.0002161500000000 ] - [ 0.0001897500000000, 0.0001033200000000, 0.0002702900000000 ] - [ 0.0000610200000000, 0.0001102400000000, 0.0003130500000000 ] - [ 0.0009453000000000, -0.0005670400000000, 0.0009117300000000 ] - [ 0.0005686900000000, -0.0007321300000000, 0.0014504000000000 ] - [ -0.0001518200000000, 0.0004354800000000, -0.0000488800000000 ] - [ -0.0001665700000000, 0.0004099400000000, -0.0000232200000000 ] - [ -0.0003200100000000, 0.0003589000000000, -0.0005676300000000 ] - [ 0.0026192600000000, 0.0056786600000000, 0.0022525500000000 ] - [ 0.0004100900000000, -0.0003130800000000, -0.0003514800000000 ] - [ 0.0003404900000000, -0.0001346100000000, -0.0026870100000000 ] - [ 0.0000117800000000, 0.0000172200000000, 0.0001890400000000 ] - [ 0.0002220800000000, 0.0002676500000000, -0.0000119600000000 ] - [ 0.0002648800000000, -0.0004265900000000, 0.0002477200000000 ] - [ 0.0002484200000000, -0.0004387100000000, 0.0001781100000000 ] - [ 0.0001785000000000, -0.0002355000000000, 0.0002488800000000 ] - [ 0.0002464200000000, 0.0007638100000000, 0.0001790400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000664800000000, -0.0001904300000000, -0.0000544400000000 ] - [ 0.0000779600000000, -0.0001643000000000, -0.0001443900000000 ] - [ 0.0013644700000000, 0.0028912200000000, 0.0048219000000000 ] - [ 0.0003892500000000, -0.0000146700000000, 0.0005390200000000 ] - [ -0.0005089800000000, 0.0009240700000000, -0.0002658000000000 ] - [ 0.0002104800000000, 0.0005042400000000, -0.0000804800000000 ] - [ -0.0006916200000000, -0.0041286900000000, -0.0017408200000000 ] - [ 0.0008547700000000, -0.0008374500000000, -0.0001694700000000 ] - [ -0.0057302700000000, -0.0038259800000000, 0.0029081300000000 ] - [ 0.0033895600000000, -0.0023443400000000, 0.0049403900000000 ] - [ -0.0000761900000000, 0.0003550100000000, -0.0001868300000000 ] - [ 0.0000797000000000, 0.0003431600000000, -0.0002119100000000 ] - [ -0.0081143700000000, -0.0028794200000000, -0.0095547000000000 ] - [ -0.0041847300000000, -0.0008699000000000, -0.0060381100000000 ] - [ -0.0000413300000000, 0.0005520200000000, -0.0002734600000000 ] - [ -0.0000371400000000, 0.0005115000000000, -0.0002417900000000 ] - [ 0.0000118100000000, 0.0001938600000000, 0.0016173600000000 ] - [ -0.0000034100000000, 0.0000171500000000, 0.0007535300000000 ] - [ -0.0002142900000000, 0.0002649800000000, 0.0006243000000000 ] - [ 0.0003890400000000, 0.0004334900000000, 0.0005821300000000 ] - [ 0.0000365100000000, 0.0002864700000000, -0.0007964000000000 ] - [ -0.0000549100000000, 0.0002263600000000, -0.0001497500000000 ] - [ -0.0020809200000000, 0.0008216700000000, -0.0002440400000000 ] - [ 0.0010503200000000, 0.0010031700000000, -0.0009077300000000 ] - [ 0.0009131000000000, -0.0001128500000000, 0.0016843800000000 ] - [ -0.0008541600000000, 0.0003809200000000, 0.0059698900000000 ] - [ 0.0000710500000000, 0.0001642300000000, 0.0002515100000000 ] - [ 0.0000225500000000, 0.0002773200000000, 0.0003067500000000 ] - [ 0.0011937800000000, -0.0000885600000000, -0.0010751200000000 ] - [ -0.0031044100000000, 0.0044249800000000, -0.0100674000000000 ] - [ -0.0000135000000000, -0.0000736800000000, 0.0000928700000000 ] - [ -0.0000371200000000, 0.0001592500000000, 0.0000165500000000 ] - [ 0.0019161200000000, -0.0032044200000000, 0.0012703500000000 ] - [ 0.0002391700000000, -0.0010026200000000, -0.0001541800000000 ] - [ -0.0001609200000000, 0.0008887200000000, 0.0001363600000000 ] - [ 0.0001310500000000, 0.0001052600000000, 0.0003126000000000 ] - [ 0.0032425400000000, 0.0043445400000000, 0.0000692800000000 ] - [ -0.0005413000000000, 0.0012918600000000, 0.0008412000000000 ] - [ -0.0003852500000000, 0.0001048700000000, -0.0002066100000000 ] - [ 0.0001870300000000, 0.0002618400000000, 0.0000249800000000 ] - [ 0.0000533100000000, 0.0005561700000000, 0.0000906900000000 ] - [ -0.0000124000000000, 0.0004429800000000, 0.0000264900000000 ] - [ 0.0008092800000000, 0.0002160200000000, 0.0058979100000000 ] - [ -0.0004355900000000, -0.0019454200000000, 0.0028259900000000 ] - [ 0.0020889000000000, 0.0001852000000000, -0.0033441000000000 ] - [ -0.0242194700000000, -0.0501275200000000, -0.0771313100000000 ] - [ -0.0000010500000000, 0.0001847000000000, -0.0002724800000000 ] - [ -0.0000958500000000, 0.0002560000000000, -0.0003216100000000 ] - [ 0.0587240200000000, 0.0640981100000000, 0.1091489000000000 ] - [ -0.0007862300000000, 0.0000078800000000, 0.0007958300000000 ] - [ -0.0000998800000000, -0.0004600800000000, -0.0001582900000000 ] - [ -0.0001366800000000, -0.0003797700000000, -0.0001610900000000 ] - [ 0.0008628700000000, -0.0072534100000000, -0.0120371700000000 ] - [ -0.0018938400000000, -0.0007606800000000, -0.0001902400000000 ] - [ -0.0002739900000000, -0.0003136200000000, -0.0000637400000000 ] - [ -0.0002931800000000, -0.0003105000000000, -0.0000744000000000 ] - [ -0.0004855300000000, 0.0065689900000000, -0.0031841000000000 ] - [ -0.0005619500000000, 0.0010708000000000, 0.0004813600000000 ] - [ 0.0003133800000000, 0.0001043700000000, -0.0000168500000000 ] - [ 0.0002630200000000, 0.0001887600000000, -0.0000193700000000 ] - [ -0.0031234800000000, -0.0073277700000000, -0.0045088400000000 ] - [ -0.0001644600000000, -0.0001061200000000, -0.0002800400000000 ] - [ -0.0001725300000000, -0.0001647200000000, 0.0000101600000000 ] - [ -0.0002497400000000, -0.0001462200000000, -0.0000680600000000 ] - [ 0.0000274300000000, -0.0000591000000000, 0.0000022900000000 ] - [ -0.0000175000000000, 0.0000747000000000, -0.0000687800000000 ] - [ 0.0004013100000000, -0.0020195600000000, 0.0063434500000000 ] - [ -0.0008314800000000, 0.0002301200000000, 0.0004814700000000 ] - [ 0.0000829500000000, 0.0002618100000000, -0.0015403800000000 ] - [ -0.0004624100000000, 0.0006783800000000, -0.0003891200000000 ] - [ 0.0000532200000000, -0.0002451600000000, 0.0000170300000000 ] - [ -0.0001015800000000, -0.0001305900000000, 0.0000934800000000 ] - [ 0.0004111400000000, -0.0009899400000000, 0.0008616900000000 ] - [ 0.0000929300000000, -0.0004098700000000, 0.0001831700000000 ] - [ 0.0001757300000000, -0.0005237400000000, 0.0005612300000000 ] - [ -0.0001900200000000, -0.0000827100000000, 0.0003725800000000 ] - [ 0.0005985600000000, -0.0000184600000000, -0.0032365600000000 ] - [ -0.0000804800000000, -0.0003458800000000, -0.0014749400000000 ] - [ 0.0000675500000000, -0.0003770500000000, -0.0002149400000000 ] - [ 0.0000218800000000, -0.0003257300000000, -0.0002016700000000 ] - [ 0.0007215900000000, 0.0012053700000000, -0.0002693300000000 ] - [ 0.0003151100000000, 0.0002736600000000, -0.0000345700000000 ] - [ 0.0004245900000000, -0.0003391700000000, -0.0001697300000000 ] - [ 0.0000134100000000, -0.0001209300000000, -0.0001735400000000 ] - [ -0.0004407300000000, -0.0018511800000000, -0.0008160100000000 ] - [ -0.0001845800000000, -0.0005121600000000, -0.0002443800000000 ] - [ -0.0001661500000000, -0.0000298800000000, -0.0000499500000000 ] - [ -0.0004161600000000, -0.0001927100000000, -0.0001506700000000 ] - [ 0.0001079600000000, -0.0001300700000000, -0.0001860400000000 ] - [ 0.0001241800000000, 0.0000140700000000, -0.0001825200000000 ] - [ -0.0018467200000000, 0.0032280400000000, -0.0047576300000000 ] - [ 0.0004827300000000, 0.0004946000000000, 0.0001847900000000 ] - [ 0.0001493900000000, 0.0000934300000000, -0.0003365100000000 ] - [ 0.0001510700000000, 0.0001884900000000, -0.0002061900000000 ] - [ 0.0010934400000000, 0.0002649400000000, -0.0018096500000000 ] - [ -0.0000406700000000, 0.0002127200000000, -0.0004928300000000 ] - [ -0.0022666300000000, -0.0021864900000000, 0.0005845800000000 ] - [ 0.0018145900000000, -0.0006430600000000, 0.0005828100000000 ] - [ -0.0000573600000000, 0.0000837200000000, 0.0001771200000000 ] - [ -0.0002083900000000, 0.0000695600000000, 0.0001771700000000 ] - [ -0.0012003300000000, -0.0000883700000000, -0.0009895800000000 ] - [ 0.0001930400000000, -0.0001696200000000, -0.0003141300000000 ] - [ -0.0002210000000000, 0.0001701000000000, 0.0000511400000000 ] - [ -0.0002722600000000, 0.0001156600000000, 0.0000645100000000 ] - [ -0.0007535200000000, -0.0003139500000000, -0.0021091500000000 ] - [ 0.0033556900000000, 0.0013684400000000, -0.0032871800000000 ] - [ 0.0001578500000000, -0.0004808300000000, 0.0000226700000000 ] - [ 0.0001598000000000, -0.0004900300000000, 0.0000212000000000 ] - [ 0.0005720700000000, -0.0003326000000000, 0.0030619800000000 ] - [ -0.0186733900000000, -0.0029617800000000, -0.0068402800000000 ] - [ -0.0001668400000000, -0.0000575500000000, 0.0001877500000000 ] - [ -0.0001687200000000, -0.0000774600000000, 0.0001803700000000 ] - [ -0.0004849700000000, -0.0010078400000000, 0.0003493700000000 ] - [ -0.0001053600000000, -0.0002870100000000, 0.0003197600000000 ] - [ 0.0002408600000000, 0.0000318900000000, 0.0002697700000000 ] - [ 0.0000702500000000, -0.0003195300000000, 0.0003265800000000 ] - [ 0.0002560100000000, -0.0000750500000000, -0.0012618600000000 ] - [ -0.0007054300000000, 0.0003340800000000, -0.0024376900000000 ] - [ -0.0000288300000000, -0.0001357500000000, -0.0001933600000000 ] - [ -0.0000437800000000, -0.0001500400000000, -0.0001933900000000 ] - [ 0.0000370600000000, -0.0002014400000000, -0.0000320200000000 ] - [ 0.0001274400000000, -0.0002064000000000, -0.0000086500000000 ] - [ -0.0020441800000000, 0.0039303900000000, 0.0020989100000000 ] - [ 0.0027985700000000, 0.0034781000000000, 0.0044193800000000 ] - [ 0.0006345400000000, 0.0008758100000000, -0.0002687200000000 ] - [ 0.0001597600000000, 0.0010800600000000, -0.0008339600000000 ] - [ 0.0000092900000000, 0.0001151000000000, 0.0001099100000000 ] - [ -0.0001174500000000, -0.0001217700000000, 0.0000915500000000 ] - [ 0.0002188700000000, -0.0002473500000000, -0.0000522400000000 ] - [ 0.0003491200000000, -0.0002557300000000, -0.0000965400000000 ] - [ -0.0005284900000000, 0.0004240500000000, -0.0006933900000000 ] - [ -0.0001641600000000, 0.0005845000000000, -0.0012395200000000 ] - [ -0.0002916400000000, 0.0002441200000000, 0.0001368600000000 ] - [ -0.0002770900000000, 0.0002678000000000, 0.0001105400000000 ] - [ -0.0001234200000000, 0.0003183100000000, 0.0006586800000000 ] - [ -0.0030691300000000, -0.0050010900000000, -0.0021506100000000 ] - [ 0.0000482100000000, -0.0000636100000000, 0.0005908900000000 ] - [ 0.0001180200000000, -0.0002452500000000, 0.0029433600000000 ] - [ 0.0004456500000000, -0.0003951400000000, 0.0000502200000000 ] - [ 0.0002381400000000, -0.0006496800000000, 0.0002504800000000 ] - [ -0.0000002800000000, -0.0000074900000000, 0.0000698200000000 ] - [ 0.0000153700000000, 0.0000038700000000, 0.0001410500000000 ] - [ 0.0000870800000000, -0.0002051500000000, 0.0000709200000000 ] - [ 0.0000168500000000, -0.0012139300000000, 0.0001419800000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002525900000000, -0.0009623200000000, -0.0002149600000000 ] - [ -0.0001932000000000, -0.0011845600000000, -0.0002607900000000 ] - [ 0.0161036600000000, 0.0096048900000000, 0.0029822400000000 ] - [ -0.0034482800000000, 0.0013971800000000, 0.0006069200000000 ] - [ 0.0003102400000000, -0.0003474500000000, -0.0000560800000000 ] - [ -0.0003078500000000, -0.0004550800000000, -0.0001406100000000 ] - [ 0.0025573900000000, -0.0003262300000000, 0.0008087400000000 ] - [ -0.0018843200000000, 0.0006317100000000, 0.0000316200000000 ] - [ 0.0166572800000000, 0.0101735100000000, -0.0064056200000000 ] - [ -0.0061813100000000, 0.0042509600000000, -0.0049466700000000 ] - [ 0.0002585800000000, -0.0005519000000000, -0.0002820400000000 ] - [ -0.0002311000000000, -0.0008271900000000, -0.0001811600000000 ] - [ 0.0028423200000000, 0.0004818800000000, -0.0041124900000000 ] - [ -0.0035493100000000, 0.0007259600000000, 0.0036333400000000 ] - [ 0.0000449600000000, -0.0002699800000000, -0.0001476100000000 ] - [ -0.0001284100000000, -0.0004303700000000, -0.0001816400000000 ] - [ 0.0003898400000000, -0.0017430600000000, 0.0011126000000000 ] - [ -0.0002238300000000, 0.0000888000000000, 0.0004861100000000 ] - [ 0.0003717300000000, 0.0015955000000000, 0.0002145100000000 ] - [ -0.0009432100000000, -0.0007469900000000, -0.0006640200000000 ] - [ 0.0001636000000000, -0.0009163600000000, -0.0003638300000000 ] - [ -0.0001337200000000, -0.0002371300000000, -0.0001594100000000 ] - [ 0.0007211000000000, 0.0032920800000000, -0.0017042500000000 ] - [ -0.0056044100000000, -0.0042098400000000, 0.0043787300000000 ] - [ -0.0024618100000000, 0.0001929100000000, 0.0019077900000000 ] - [ 0.0036577100000000, 0.0007786800000000, 0.0011879600000000 ] - [ -0.0003064000000000, -0.0005022800000000, 0.0002954000000000 ] - [ 0.0002967900000000, -0.0007950500000000, 0.0000714000000000 ] - [ -0.0015559200000000, -0.0010488000000000, -0.0007991800000000 ] - [ 0.0020766500000000, 0.0029591200000000, -0.0003298700000000 ] - [ -0.0005618200000000, -0.0007303300000000, 0.0001479800000000 ] - [ 0.0005451800000000, -0.0012246900000000, 0.0007449400000000 ] - [ 0.0037246300000000, -0.0017798300000000, -0.0002322900000000 ] - [ -0.0042099500000000, -0.0021640800000000, -0.0021387300000000 ] - [ 0.0027535400000000, -0.0023666200000000, -0.0003593900000000 ] - [ -0.0014669700000000, -0.0004565500000000, -0.0002215200000000 ] - [ 0.0010447400000000, -0.0002029300000000, 0.0005043300000000 ] - [ -0.0009922100000000, 0.0011755600000000, 0.0009705600000000 ] - [ 0.0004298500000000, 0.0000875500000000, 0.0003111900000000 ] - [ -0.0004254000000000, -0.0009566300000000, 0.0007686400000000 ] - [ 0.0001208700000000, -0.0007471600000000, 0.0000196200000000 ] - [ -0.0000431700000000, -0.0005922600000000, -0.0000452500000000 ] - [ -0.0013238500000000, 0.0039766600000000, 0.0044095300000000 ] - [ -0.0023744600000000, 0.0000696700000000, -0.0012272100000000 ] - [ -0.0092528300000000, 0.0048448500000000, -0.0029560100000000 ] - [ 0.0774032100000000, 0.0213758400000000, -0.0548376100000000 ] - [ -0.0001898500000000, -0.0009192200000000, -0.0002705100000000 ] - [ 0.0001497000000000, -0.0009158700000000, -0.0002138600000000 ] - [ -0.0057062900000000, -0.0012730100000000, -0.0012406300000000 ] - [ 0.0033444100000000, -0.0006401800000000, 0.0015116100000000 ] - [ -0.0002327300000000, 0.0002679500000000, -0.0001152600000000 ] - [ -0.0000723300000000, 0.0001567000000000, -0.0000961900000000 ] - [ -0.1323651700000000, -0.0660607800000000, 0.0787709400000000 ] - [ 0.0031641200000000, -0.0000516600000000, -0.0005553000000000 ] - [ -0.0001956100000000, 0.0001140400000000, -0.0000700900000000 ] - [ -0.0000105900000000, 0.0001856800000000, -0.0000770100000000 ] - [ -0.0046352500000000, 0.0026137800000000, 0.0020123200000000 ] - [ 0.0020517400000000, -0.0004508300000000, 0.0002421200000000 ] - [ -0.0003488200000000, 0.0007370900000000, 0.0001031300000000 ] - [ 0.0003693800000000, 0.0006665900000000, -0.0000751800000000 ] - [ -0.0010985000000000, -0.0005799600000000, -0.0005784200000000 ] - [ 0.0007816100000000, 0.0000342300000000, -0.0005407600000000 ] - [ -0.0004145700000000, -0.0000173800000000, -0.0002452000000000 ] - [ 0.0000744800000000, 0.0003608900000000, -0.0003107200000000 ] - [ -0.0002075900000000, 0.0005896200000000, -0.0001123800000000 ] - [ 0.0000044400000000, 0.0004875800000000, -0.0001232700000000 ] - [ -0.0058055000000000, -0.0028021800000000, 0.0038996300000000 ] - [ 0.0023592400000000, -0.0005306900000000, -0.0000645500000000 ] - [ -0.0027111800000000, 0.0026689300000000, -0.0011418600000000 ] - [ 0.0019942000000000, -0.0006924100000000, 0.0001044700000000 ] - [ -0.0005202300000000, 0.0002389800000000, 0.0002211400000000 ] - [ 0.0003039700000000, 0.0003896200000000, 0.0002322100000000 ] - [ -0.0004186200000000, -0.0000675300000000, 0.0001293200000000 ] - [ 0.0005092500000000, -0.0000304100000000, 0.0002507400000000 ] - [ -0.0004468700000000, 0.0000384100000000, 0.0001392800000000 ] - [ 0.0012848400000000, 0.0009296100000000, -0.0010419600000000 ] - [ -0.0015542200000000, -0.0017454300000000, -0.0078596700000000 ] - [ 0.0021398400000000, -0.0008292900000000, 0.0000057800000000 ] - [ -0.0001667200000000, 0.0002006500000000, -0.0001462300000000 ] - [ 0.0000446400000000, 0.0001273800000000, -0.0001563200000000 ] - [ 0.0001571000000000, 0.0008628500000000, 0.0002211700000000 ] - [ 0.0006342100000000, 0.0002889600000000, 0.0000537200000000 ] - [ -0.0014024600000000, -0.0006797400000000, -0.0003030800000000 ] - [ 0.0017905400000000, 0.0008898300000000, 0.0007811300000000 ] - [ -0.0005474400000000, -0.0001870200000000, -0.0004967600000000 ] - [ -0.0001327900000000, -0.0002867300000000, -0.0001674500000000 ] - [ -0.0006603900000000, -0.0003812200000000, -0.0003541900000000 ] - [ 0.0001611600000000, -0.0003878100000000, -0.0000032600000000 ] - [ 0.0002265700000000, 0.0004224300000000, -0.0002008000000000 ] - [ 0.0003696700000000, 0.0004525700000000, -0.0001437000000000 ] - [ -0.0008523500000000, -0.0011357500000000, -0.0015996800000000 ] - [ 0.0011196700000000, 0.0006624200000000, -0.0005669600000000 ] - [ 0.0000254300000000, 0.0009449100000000, -0.0002800200000000 ] - [ 0.0002262800000000, 0.0005510700000000, -0.0002648400000000 ] - [ -0.0019338200000000, -0.0025030300000000, -0.0022549400000000 ] - [ 0.0016735200000000, 0.0001999600000000, 0.0000925200000000 ] - [ -0.0005088400000000, 0.0005923900000000, 0.0005853100000000 ] - [ 0.0002007300000000, -0.0016012500000000, -0.0008099100000000 ] - [ -0.0001511400000000, 0.0003946200000000, 0.0001173500000000 ] - [ -0.0000460800000000, 0.0008092000000000, 0.0001681800000000 ] - [ -0.0004187500000000, 0.0004292100000000, -0.0004096600000000 ] - [ -0.0004152100000000, 0.0000076300000000, -0.0004549900000000 ] - [ -0.0002750500000000, 0.0001851500000000, 0.0000297800000000 ] - [ -0.0002729000000000, 0.0005812700000000, 0.0001013000000000 ] - [ 0.0005489200000000, -0.0004390800000000, -0.0011323900000000 ] - [ -0.0002471000000000, -0.0012321900000000, 0.0001369000000000 ] - [ 0.0003006300000000, -0.0000741100000000, 0.0000068300000000 ] - [ 0.0003206300000000, -0.0000307000000000, 0.0000089600000000 ] - [ 0.0107268500000000, -0.0010255000000000, 0.0070966200000000 ] - [ 0.0098972400000000, -0.0029546700000000, -0.0069545900000000 ] - [ -0.0002799300000000, 0.0003600200000000, 0.0000644200000000 ] - [ -0.0003065600000000, 0.0004173900000000, 0.0000546500000000 ] - [ 0.0000957100000000, 0.0001297400000000, 0.0001277300000000 ] - [ -0.0000967100000000, -0.0006149600000000, 0.0001282300000000 ] - [ 0.0000781600000000, -0.0004668000000000, 0.0002593900000000 ] - [ -0.0002422100000000, 0.0004789100000000, -0.0006370400000000 ] - [ 0.0026377300000000, -0.0022606100000000, -0.0032112700000000 ] - [ 0.0025576800000000, -0.0004969600000000, 0.0042258500000000 ] - [ -0.0001015200000000, 0.0003790900000000, -0.0001134500000000 ] - [ -0.0000799200000000, 0.0004098600000000, -0.0001000200000000 ] - [ 0.0000681500000000, 0.0003605900000000, -0.0001006600000000 ] - [ -0.0000348800000000, 0.0002717700000000, -0.0001297500000000 ] - [ 0.0005070800000000, -0.0014341000000000, 0.0012219900000000 ] - [ 0.0019123800000000, 0.0024885400000000, -0.0059791500000000 ] - [ 0.0082115200000000, 0.0071038800000000, -0.0011492600000000 ] - [ -0.0012892100000000, -0.0011198000000000, 0.0005275800000000 ] - [ 0.0001764400000000, 0.0002079100000000, 0.0002318100000000 ] - [ 0.0001587500000000, 0.0011015400000000, 0.0004142200000000 ] - [ 0.0001639900000000, 0.0002587600000000, 0.0000196400000000 ] - [ 0.0001103900000000, 0.0001721500000000, 0.0000905500000000 ] - [ 0.0010857000000000, -0.0012117000000000, -0.0006570300000000 ] - [ 0.0007387000000000, -0.0000417100000000, 0.0010840800000000 ] - [ -0.0000704000000000, 0.0007470600000000, 0.0001448800000000 ] - [ -0.0002055600000000, 0.0006029800000000, 0.0001370100000000 ] - [ 0.0020907200000000, -0.0010428900000000, 0.0003615200000000 ] - [ 0.0147223300000000, 0.0186577000000000, -0.0075995700000000 ] - [ 0.0005360700000000, 0.0003452200000000, 0.0008806600000000 ] - [ -0.0006978000000000, 0.0000287000000000, 0.0006766900000000 ] - [ 0.0005341100000000, -0.0004746600000000, 0.0000959500000000 ] - [ -0.0006972800000000, 0.0020948000000000, 0.0000213700000000 ] - [ 0.0007437700000000, 0.0015433600000000, -0.0000600900000000 ] - [ -0.0004889400000000, 0.0002059100000000, 0.0001513600000000 ] - [ 0.0006918900000000, -0.0008147800000000, 0.0003393500000000 ] - [ -0.0001431100000000, 0.0021288800000000, 0.0002626000000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001613100000000, 0.0004870000000000, -0.0002013800000000 ] - [ 0.0002835300000000, 0.0007057300000000, -0.0001551800000000 ] - [ -0.0159595300000000, -0.0101774400000000, -0.0035175700000000 ] - [ 0.0035254700000000, -0.0018468400000000, -0.0010097100000000 ] - [ -0.0003406500000000, 0.0002831200000000, -0.0003285100000000 ] - [ 0.0002775100000000, 0.0003877600000000, -0.0002447700000000 ] - [ -0.0025973500000000, 0.0002508400000000, -0.0011746600000000 ] - [ 0.0018521800000000, -0.0006869800000000, -0.0004206200000000 ] - [ -0.0159464700000000, -0.0092897000000000, 0.0055695000000000 ] - [ 0.0062035700000000, -0.0041907400000000, 0.0045955400000000 ] - [ -0.0002260400000000, 0.0006073700000000, -0.0001034300000000 ] - [ 0.0002584500000000, 0.0008837000000000, -0.0002037600000000 ] - [ -0.0028658700000000, 0.0000108900000000, 0.0036936300000000 ] - [ 0.0034378600000000, -0.0002387300000000, -0.0040764800000000 ] - [ -0.0001354800000000, 0.0007341900000000, -0.0002677100000000 ] - [ 0.0000362100000000, 0.0008956000000000, -0.0002336400000000 ] - [ -0.0002933900000000, 0.0021956800000000, -0.0006899900000000 ] - [ 0.0003102500000000, 0.0003765200000000, -0.0000690000000000 ] - [ -0.0002705900000000, -0.0011255500000000, 0.0001993400000000 ] - [ 0.0010223100000000, 0.0012136900000000, 0.0010822100000000 ] - [ -0.0001874400000000, 0.0009719500000000, 0.0007461500000000 ] - [ 0.0000986600000000, 0.0002953300000000, 0.0005431300000000 ] - [ -0.0007028000000000, -0.0032395300000000, 0.0020725100000000 ] - [ 0.0055738100000000, 0.0042838200000000, -0.0040086200000000 ] - [ 0.0024812100000000, -0.0002532600000000, -0.0015046600000000 ] - [ -0.0036147900000000, -0.0008267100000000, -0.0008039800000000 ] - [ 0.0003370800000000, 0.0004353300000000, 0.0000911100000000 ] - [ -0.0002681900000000, 0.0007252900000000, 0.0003133300000000 ] - [ 0.0014625900000000, 0.0005658300000000, 0.0012013100000000 ] - [ -0.0021860900000000, -0.0033944500000000, 0.0007404700000000 ] - [ 0.0004722700000000, 0.0002575500000000, 0.0002667800000000 ] - [ -0.0006399300000000, 0.0007476700000000, -0.0003299600000000 ] - [ -0.0036573000000000, 0.0015383000000000, 0.0004783600000000 ] - [ 0.0042483500000000, 0.0018938600000000, 0.0024065300000000 ] - [ -0.0026976900000000, 0.0021019500000000, 0.0006483100000000 ] - [ 0.0015282000000000, 0.0002137900000000, 0.0004960700000000 ] - [ -0.0010891700000000, 0.0004530600000000, -0.0002242800000000 ] - [ 0.0009244400000000, -0.0009303800000000, -0.0006922800000000 ] - [ -0.0004802300000000, 0.0001496800000000, -0.0000317200000000 ] - [ 0.0003596300000000, 0.0011996400000000, -0.0004944500000000 ] - [ -0.0000595700000000, 0.0009863800000000, -0.0002945000000000 ] - [ 0.0001009000000000, 0.0008320900000000, -0.0002300200000000 ] - [ 0.0014010200000000, -0.0036842300000000, -0.0046473800000000 ] - [ 0.0023924500000000, 0.0002014200000000, 0.0009533100000000 ] - [ 0.0091575700000000, -0.0050354100000000, 0.0026534700000000 ] - [ -0.0791615300000000, -0.0226033100000000, 0.0577703800000000 ] - [ 0.0001305000000000, 0.0006659600000000, -0.0000066600000000 ] - [ -0.0002094600000000, 0.0006628300000000, -0.0000625500000000 ] - [ 0.0054841600000000, 0.0008241700000000, 0.0008728500000000 ] - [ -0.0035900300000000, 0.0002009700000000, -0.0018096800000000 ] - [ -0.0000321000000000, -0.0007007500000000, -0.0002018300000000 ] - [ -0.0001922700000000, -0.0005909200000000, -0.0002211600000000 ] - [ 0.1330278900000000, 0.0661942100000000, -0.0816474200000000 ] - [ -0.0036161900000000, -0.0003348700000000, 0.0003115900000000 ] - [ -0.0002642300000000, -0.0004905000000000, -0.0001652200000000 ] - [ -0.0004486700000000, -0.0005620400000000, -0.0001580400000000 ] - [ 0.0050493800000000, -0.0019852000000000, -0.0020829600000000 ] - [ -0.0016037300000000, 0.0011341000000000, -0.0003267000000000 ] - [ 0.0007912700000000, -0.0000530500000000, -0.0001903400000000 ] - [ 0.0000720900000000, 0.0000145300000000, -0.0000109600000000 ] - [ 0.0006798300000000, 0.0004272400000000, 0.0003521800000000 ] - [ -0.0011858200000000, -0.0001752500000000, 0.0003199600000000 ] - [ 0.0000070700000000, -0.0001211300000000, 0.0000238700000000 ] - [ -0.0004816500000000, -0.0005019600000000, 0.0000910200000000 ] - [ 0.0001814300000000, -0.0001509900000000, -0.0001950500000000 ] - [ -0.0000295700000000, -0.0000488500000000, -0.0001844400000000 ] - [ 0.0058027500000000, 0.0032777900000000, -0.0042967300000000 ] - [ -0.0023808000000000, 0.0009594400000000, -0.0002372500000000 ] - [ 0.0025946800000000, -0.0026448200000000, 0.0014091200000000 ] - [ -0.0020638200000000, 0.0006953000000000, 0.0001641300000000 ] - [ 0.0004349900000000, -0.0002306600000000, 0.0000555600000000 ] - [ -0.0003854300000000, -0.0003863000000000, 0.0000419200000000 ] - [ 0.0004974800000000, 0.0000630500000000, 0.0001441500000000 ] - [ -0.0004238000000000, 0.0000319700000000, 0.0000247200000000 ] - [ 0.0005258300000000, -0.0000271200000000, 0.0001329700000000 ] - [ -0.0012027200000000, -0.0009358600000000, 0.0013208800000000 ] - [ 0.0015356400000000, 0.0012990000000000, 0.0074914300000000 ] - [ -0.0021031400000000, 0.0003852700000000, -0.0003191100000000 ] - [ 0.0001895600000000, -0.0006324600000000, -0.0001616100000000 ] - [ -0.0000202600000000, -0.0005599100000000, -0.0001516400000000 ] - [ 0.0002466800000000, -0.0007220900000000, -0.0004346300000000 ] - [ -0.0002215500000000, -0.0001414800000000, -0.0002716700000000 ] - [ 0.0018069500000000, 0.0008342200000000, 0.0000854500000000 ] - [ -0.0013822900000000, -0.0007502900000000, -0.0010028500000000 ] - [ 0.0001011500000000, -0.0004938500000000, 0.0004060000000000 ] - [ -0.0003097000000000, -0.0003914000000000, 0.0000805700000000 ] - [ 0.0002119100000000, -0.0002958100000000, 0.0002649700000000 ] - [ -0.0006006400000000, -0.0002933300000000, -0.0000812800000000 ] - [ 0.0002338100000000, -0.0000417700000000, -0.0000357000000000 ] - [ 0.0000919900000000, -0.0000711700000000, -0.0000923800000000 ] - [ 0.0012974600000000, 0.0015009700000000, 0.0013457600000000 ] - [ -0.0006508600000000, -0.0002903600000000, 0.0003375400000000 ] - [ 0.0002376200000000, -0.0005032200000000, -0.0000378500000000 ] - [ 0.0000391100000000, -0.0001107400000000, -0.0000533200000000 ] - [ 0.0021702400000000, 0.0029211500000000, 0.0019381800000000 ] - [ -0.0013961100000000, 0.0002349500000000, -0.0004168600000000 ] - [ 0.0002349400000000, -0.0001590100000000, -0.0002645100000000 ] - [ -0.0004567500000000, 0.0020381400000000, 0.0011288800000000 ] - [ -0.0001162400000000, 0.0000465400000000, 0.0002012100000000 ] - [ -0.0002167100000000, -0.0003693200000000, 0.0001499500000000 ] - [ -0.0000467100000000, -0.0000483100000000, 0.0006394700000000 ] - [ -0.0000432900000000, 0.0003700600000000, 0.0006898500000000 ] - [ -0.0001889300000000, 0.0001967700000000, 0.0002050300000000 ] - [ -0.0001868200000000, -0.0002002300000000, 0.0001351200000000 ] - [ -0.0001122200000000, -0.0002457300000000, 0.0012051800000000 ] - [ 0.0006959900000000, 0.0005450600000000, -0.0000502000000000 ] - [ 0.0001423800000000, -0.0006035400000000, 0.0000789000000000 ] - [ 0.0001237300000000, -0.0006467200000000, 0.0000775900000000 ] - [ -0.0110097800000000, 0.0011684600000000, -0.0067833500000000 ] - [ -0.0104844700000000, 0.0031575400000000, 0.0073022800000000 ] - [ -0.0001295900000000, -0.0002149400000000, 0.0001546200000000 ] - [ -0.0001014400000000, -0.0002723200000000, 0.0001645700000000 ] - [ -0.0001225100000000, -0.0005635400000000, 0.0001804600000000 ] - [ 0.0000764600000000, 0.0001793200000000, 0.0001776800000000 ] - [ -0.0001085600000000, 0.0000296200000000, 0.0000476800000000 ] - [ 0.0002237900000000, -0.0009109200000000, 0.0009488200000000 ] - [ -0.0027027100000000, 0.0022326000000000, 0.0029011200000000 ] - [ -0.0026263100000000, 0.0004739800000000, -0.0045173200000000 ] - [ 0.0000174600000000, -0.0003779200000000, -0.0001612300000000 ] - [ -0.0000024000000000, -0.0004080600000000, -0.0001743200000000 ] - [ 0.0000142200000000, -0.0003556500000000, -0.0001742300000000 ] - [ 0.0001177300000000, -0.0002673800000000, -0.0001450500000000 ] - [ -0.0004373700000000, 0.0014209700000000, -0.0014838800000000 ] - [ -0.0017963600000000, -0.0024809500000000, 0.0056937500000000 ] - [ -0.0081177700000000, -0.0066118000000000, 0.0014400100000000 ] - [ 0.0013166100000000, 0.0015512500000000, -0.0002178400000000 ] - [ -0.0001527700000000, 0.0002288400000000, 0.0000761500000000 ] - [ -0.0001294000000000, -0.0006565000000000, -0.0001076100000000 ] - [ 0.0002426800000000, -0.0003983600000000, 0.0001994400000000 ] - [ 0.0002980000000000, -0.0003129600000000, 0.0001288200000000 ] - [ -0.0006824200000000, 0.0010613300000000, 0.0008720500000000 ] - [ -0.0002951400000000, -0.0001120000000000, -0.0008232500000000 ] - [ -0.0003714000000000, -0.0000626500000000, -0.0000573300000000 ] - [ -0.0002363200000000, 0.0000788400000000, -0.0000508300000000 ] - [ -0.0025287200000000, 0.0017028700000000, -0.0002718200000000 ] - [ -0.0153765500000000, -0.0183924200000000, 0.0077249500000000 ] - [ -0.0000781300000000, -0.0007159200000000, -0.0006372500000000 ] - [ 0.0011628500000000, -0.0004100000000000, -0.0004377500000000 ] - [ -0.0000800400000000, 0.0000971100000000, 0.0001432300000000 ] - [ 0.0011634100000000, -0.0024790900000000, 0.0002104600000000 ] - [ -0.0004779100000000, -0.0019633700000000, 0.0003736800000000 ] - [ 0.0007504900000000, -0.0006375900000000, 0.0001673500000000 ] - [ -0.0004297500000000, 0.0003726200000000, -0.0000226400000000 ] - [ 0.0004139800000000, -0.0025254400000000, 0.0000400200000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002606300000000, -0.0022601000000000, -0.0000902700000000 ] - [ -0.0001169700000000, -0.0019209800000000, -0.0002474800000000 ] - [ 0.0084999000000000, 0.0213617900000000, 0.0063803700000000 ] - [ -0.0008099300000000, 0.0023465900000000, -0.0001403700000000 ] - [ 0.0002051200000000, -0.0014953000000000, -0.0003030200000000 ] - [ -0.0001542200000000, -0.0012098700000000, -0.0002274500000000 ] - [ -0.0000632200000000, -0.0000988300000000, 0.0017714200000000 ] - [ -0.0004489600000000, 0.0010601200000000, -0.0000658500000000 ] - [ 0.0114710600000000, 0.0183989600000000, -0.0056894800000000 ] - [ 0.0012346000000000, 0.0029233400000000, 0.0008503700000000 ] - [ 0.0004028200000000, -0.0019321400000000, -0.0002069200000000 ] - [ -0.0002393700000000, -0.0018025300000000, -0.0001058200000000 ] - [ -0.0003213200000000, 0.0057197800000000, -0.0020273200000000 ] - [ -0.0002971000000000, 0.0036971700000000, -0.0012542800000000 ] - [ 0.0000156400000000, -0.0013438500000000, -0.0001346200000000 ] - [ -0.0000979800000000, -0.0013091400000000, -0.0001723400000000 ] - [ -0.0004517200000000, -0.0019400500000000, 0.0014814200000000 ] - [ 0.0005137800000000, -0.0009885100000000, 0.0008438900000000 ] - [ 0.0013577200000000, -0.0006702400000000, -0.0006515900000000 ] - [ -0.0015913400000000, -0.0008273200000000, -0.0007058300000000 ] - [ -0.0007436200000000, -0.0020576800000000, -0.0008648100000000 ] - [ 0.0006428700000000, -0.0017537400000000, -0.0003638800000000 ] - [ 0.0050767600000000, -0.0025234200000000, 0.0012460500000000 ] - [ -0.0048777200000000, -0.0025422200000000, 0.0041730200000000 ] - [ -0.0010982100000000, 0.0015184000000000, 0.0014804300000000 ] - [ 0.0022193700000000, 0.0019968900000000, 0.0023933200000000 ] - [ -0.0000691600000000, -0.0014979300000000, 0.0002728800000000 ] - [ -0.0000884700000000, -0.0019179100000000, -0.0000013500000000 ] - [ -0.0005972300000000, 0.0001252500000000, -0.0004866800000000 ] - [ 0.0023379800000000, -0.0015210900000000, -0.0036510800000000 ] - [ -0.0001632900000000, -0.0015800000000000, 0.0002765900000000 ] - [ -0.0000145700000000, -0.0022107700000000, 0.0008660800000000 ] - [ 0.0045448200000000, -0.0070660000000000, 0.0047028900000000 ] - [ -0.0027649900000000, -0.0019167200000000, -0.0014256800000000 ] - [ 0.0001899300000000, -0.0047592100000000, -0.0001094400000000 ] - [ -0.0005521400000000, -0.0012910200000000, -0.0003541100000000 ] - [ -0.0005315000000000, -0.0002131100000000, 0.0002382800000000 ] - [ 0.0003454300000000, 0.0000767400000000, 0.0000008500000000 ] - [ 0.0007978900000000, -0.0014905000000000, 0.0004218900000000 ] - [ -0.0006291600000000, -0.0014554800000000, 0.0006358700000000 ] - [ 0.0000374600000000, -0.0019971700000000, 0.0000187200000000 ] - [ 0.0000617300000000, -0.0018015400000000, -0.0000455600000000 ] - [ 0.0010647700000000, 0.0075438500000000, 0.0006443000000000 ] - [ -0.0030652900000000, 0.0055738400000000, 0.0000867400000000 ] - [ -0.0024078100000000, 0.0058994300000000, -0.0010375500000000 ] - [ 0.0207536700000000, 0.0439363700000000, -0.0212004800000000 ] - [ -0.0000535500000000, -0.0021238700000000, -0.0001994600000000 ] - [ 0.0000537900000000, -0.0024044000000000, -0.0002813400000000 ] - [ -0.0021455600000000, -0.0036971400000000, 0.0068262500000000 ] - [ 0.0008263400000000, -0.0014911100000000, 0.0004121700000000 ] - [ -0.0001975300000000, 0.0010072200000000, -0.0000353200000000 ] - [ -0.0001398000000000, 0.0007892900000000, -0.0000387500000000 ] - [ -0.0663808900000000, -0.0991603600000000, 0.0267730300000000 ] - [ -0.0000840500000000, -0.0018190700000000, -0.0003081100000000 ] - [ 0.0000722600000000, 0.0007512400000000, -0.0000913200000000 ] - [ 0.0001439600000000, 0.0006364800000000, -0.0001341400000000 ] - [ -0.0027156100000000, 0.0149214400000000, 0.0021970400000000 ] - [ 0.0008148200000000, -0.0000514600000000, 0.0002393400000000 ] - [ -0.0001943700000000, 0.0016251700000000, -0.0001736100000000 ] - [ 0.0000549900000000, 0.0010790100000000, -0.0000694900000000 ] - [ 0.0000323800000000, -0.0000802000000000, 0.0002562100000000 ] - [ -0.0001140600000000, -0.0002663900000000, -0.0001042000000000 ] - [ -0.0001389400000000, 0.0006446000000000, -0.0003914000000000 ] - [ 0.0000472300000000, 0.0005730500000000, -0.0003449700000000 ] - [ -0.0002827300000000, 0.0012162100000000, -0.0001014900000000 ] - [ -0.0002829100000000, 0.0010994900000000, -0.0001224500000000 ] - [ -0.0001097500000000, 0.0021424000000000, -0.0138258400000000 ] - [ 0.0009983300000000, -0.0013690000000000, -0.0002500700000000 ] - [ -0.0008654800000000, 0.0019864300000000, -0.0023712200000000 ] - [ 0.0008435200000000, -0.0002631200000000, -0.0002200900000000 ] - [ -0.0002564100000000, 0.0013377600000000, 0.0006030000000000 ] - [ 0.0002230500000000, 0.0007692100000000, 0.0002624700000000 ] - [ 0.0003651800000000, 0.0007137800000000, 0.0007006100000000 ] - [ 0.0000118100000000, 0.0002585000000000, 0.0002302600000000 ] - [ -0.0003099300000000, 0.0012818400000000, -0.0002599300000000 ] - [ 0.0011273500000000, 0.0008760400000000, -0.0008485400000000 ] - [ -0.0000348000000000, -0.0053942800000000, -0.0052003900000000 ] - [ 0.0007928900000000, -0.0016817200000000, -0.0004374300000000 ] - [ -0.0002784700000000, 0.0008686200000000, -0.0000930600000000 ] - [ -0.0001324800000000, 0.0006535700000000, -0.0001187100000000 ] - [ 0.0012546700000000, 0.0027791300000000, -0.0004503700000000 ] - [ 0.0003264800000000, 0.0004860200000000, -0.0000030800000000 ] - [ -0.0004191600000000, 0.0023943300000000, 0.0003926200000000 ] - [ 0.0013478100000000, 0.0008176200000000, 0.0005652600000000 ] - [ -0.0004082000000000, 0.0001889400000000, -0.0003011800000000 ] - [ -0.0004193800000000, -0.0000280900000000, -0.0002155600000000 ] - [ -0.0007647500000000, 0.0001189300000000, -0.0000537800000000 ] - [ 0.0001469700000000, -0.0003482100000000, 0.0000834500000000 ] - [ 0.0004619700000000, 0.0009406200000000, -0.0001749500000000 ] - [ 0.0004919700000000, 0.0008689900000000, -0.0001306900000000 ] - [ -0.0010917800000000, -0.0022852900000000, -0.0011178900000000 ] - [ 0.0007066300000000, -0.0010804200000000, 0.0003094800000000 ] - [ 0.0001354800000000, 0.0016073500000000, -0.0004777800000000 ] - [ 0.0001316700000000, 0.0012338600000000, -0.0003332600000000 ] - [ -0.0039256700000000, -0.0013701700000000, 0.0028886900000000 ] - [ 0.0014886100000000, -0.0009339700000000, 0.0001485400000000 ] - [ 0.0001908700000000, -0.0003497500000000, 0.0005215200000000 ] - [ -0.0010097100000000, -0.0004681000000000, 0.0004331900000000 ] - [ -0.0002873200000000, 0.0011555300000000, 0.0002322700000000 ] - [ 0.0000894500000000, 0.0012541800000000, 0.0001775700000000 ] - [ -0.0000492100000000, 0.0000923400000000, -0.0002976300000000 ] - [ -0.0004703200000000, 0.0000921000000000, -0.0001551600000000 ] - [ -0.0006215700000000, 0.0008337300000000, 0.0001357100000000 ] - [ -0.0002248700000000, 0.0008338700000000, 0.0001784700000000 ] - [ 0.0000030600000000, -0.0013704400000000, -0.0005246900000000 ] - [ -0.0002439200000000, -0.0022008200000000, 0.0003425100000000 ] - [ 0.0004548700000000, 0.0004068200000000, 0.0000020400000000 ] - [ 0.0005203500000000, 0.0004624900000000, 0.0000286800000000 ] - [ 0.0044457500000000, -0.0037965800000000, 0.0040348500000000 ] - [ -0.0045058700000000, -0.0045546600000000, 0.0031831000000000 ] - [ -0.0004668500000000, 0.0008489600000000, -0.0000811700000000 ] - [ -0.0004247600000000, 0.0009332600000000, -0.0000526000000000 ] - [ 0.0003641800000000, 0.0001551000000000, 0.0001976600000000 ] - [ -0.0002146300000000, 0.0002474900000000, 0.0003919000000000 ] - [ -0.0004533800000000, -0.0000592800000000, -0.0001290600000000 ] - [ 0.0002502300000000, 0.0005920700000000, -0.0003417600000000 ] - [ 0.0015759400000000, -0.0037012500000000, -0.0025000000000000 ] - [ 0.0006354400000000, -0.0049183900000000, -0.0008027300000000 ] - [ -0.0001515900000000, 0.0009422300000000, -0.0000356200000000 ] - [ -0.0001514200000000, 0.0010254700000000, -0.0000692100000000 ] - [ 0.0000190500000000, 0.0009005500000000, -0.0001006600000000 ] - [ -0.0000643900000000, 0.0009021100000000, -0.0001393900000000 ] - [ -0.0003910000000000, -0.0021243100000000, 0.0001139500000000 ] - [ 0.0019694800000000, -0.0022870900000000, -0.0027843000000000 ] - [ 0.0060814400000000, 0.0055256800000000, -0.0009458200000000 ] - [ -0.0019499900000000, 0.0003753600000000, -0.0010289100000000 ] - [ 0.0000215700000000, 0.0008278500000000, 0.0002620500000000 ] - [ 0.0006199400000000, 0.0017293100000000, 0.0004406900000000 ] - [ 0.0001048200000000, 0.0006351500000000, 0.0001098500000000 ] - [ -0.0000828400000000, 0.0006694000000000, 0.0001890100000000 ] - [ -0.0001566600000000, -0.0013219400000000, -0.0000246000000000 ] - [ 0.0043180700000000, -0.0018718700000000, 0.0045289500000000 ] - [ 0.0001482100000000, 0.0012098700000000, 0.0001264200000000 ] - [ -0.0000329500000000, 0.0012753700000000, 0.0001543600000000 ] - [ -0.0014063100000000, -0.0014014200000000, -0.0000725400000000 ] - [ 0.0213024600000000, 0.0113613000000000, -0.0082294300000000 ] - [ 0.0005183500000000, 0.0003136400000000, 0.0007920200000000 ] - [ -0.0020681900000000, 0.0016982700000000, 0.0008647000000000 ] - [ -0.0003022500000000, 0.0003158700000000, 0.0002990900000000 ] - [ 0.0000094500000000, 0.0016974100000000, -0.0002916300000000 ] - [ 0.0006689800000000, 0.0015356300000000, -0.0000479500000000 ] - [ -0.0004515100000000, 0.0011035600000000, -0.0003011400000000 ] - [ 0.0000573700000000, -0.0005569400000000, 0.0002841600000000 ] - [ 0.0008195900000000, 0.0034278100000000, 0.0001006200000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001673900000000, 0.0017838600000000, -0.0003237400000000 ] - [ 0.0002067400000000, 0.0014479400000000, -0.0001680600000000 ] - [ -0.0086807900000000, -0.0222512600000000, -0.0074903300000000 ] - [ 0.0008907400000000, -0.0028115900000000, -0.0002803300000000 ] - [ -0.0002339300000000, 0.0014335900000000, -0.0000821400000000 ] - [ 0.0001225400000000, 0.0011480000000000, -0.0001573500000000 ] - [ 0.0000282300000000, 0.0000265300000000, -0.0021242800000000 ] - [ 0.0004168600000000, -0.0011254100000000, -0.0003138100000000 ] - [ -0.0106807000000000, -0.0178704400000000, 0.0048923400000000 ] - [ -0.0012314500000000, -0.0028323000000000, -0.0012745800000000 ] - [ -0.0003737000000000, 0.0019916000000000, -0.0001793800000000 ] - [ 0.0002699100000000, 0.0018613900000000, -0.0002804700000000 ] - [ 0.0002835500000000, -0.0052408400000000, 0.0016447100000000 ] - [ 0.0001809300000000, -0.0032313600000000, 0.0008682300000000 ] - [ -0.0001071500000000, 0.0018092400000000, -0.0002806900000000 ] - [ 0.0000068200000000, 0.0017754200000000, -0.0002429400000000 ] - [ 0.0005360500000000, 0.0023991900000000, -0.0010549100000000 ] - [ -0.0004191400000000, 0.0014579800000000, -0.0004245300000000 ] - [ -0.0012688200000000, 0.0011429400000000, 0.0010719900000000 ] - [ 0.0016857700000000, 0.0012961800000000, 0.0011218700000000 ] - [ 0.0007079000000000, 0.0021131500000000, 0.0012407300000000 ] - [ -0.0006685100000000, 0.0018134800000000, 0.0007454200000000 ] - [ -0.0050970400000000, 0.0025705300000000, -0.0008821000000000 ] - [ 0.0048378900000000, 0.0025908700000000, -0.0037908900000000 ] - [ 0.0011136400000000, -0.0015802000000000, -0.0010833700000000 ] - [ -0.0021647100000000, -0.0020546000000000, -0.0019826100000000 ] - [ 0.0000987800000000, 0.0014322600000000, 0.0001143100000000 ] - [ 0.0001188000000000, 0.0018525000000000, 0.0003895400000000 ] - [ 0.0005014800000000, -0.0005867400000000, 0.0008989000000000 ] - [ -0.0024153600000000, 0.0011134300000000, 0.0040369400000000 ] - [ 0.0000724300000000, 0.0011063000000000, 0.0001388300000000 ] - [ -0.0000773700000000, 0.0017349800000000, -0.0004519700000000 ] - [ -0.0044385700000000, 0.0067877800000000, -0.0043966100000000 ] - [ 0.0028079200000000, 0.0016707000000000, 0.0016961800000000 ] - [ -0.0001200100000000, 0.0045153700000000, 0.0003825500000000 ] - [ 0.0006110700000000, 0.0010414800000000, 0.0006266000000000 ] - [ 0.0004793900000000, 0.0004700900000000, 0.0000422500000000 ] - [ -0.0004086800000000, 0.0001820800000000, 0.0002839600000000 ] - [ -0.0008538000000000, 0.0017305100000000, -0.0001395900000000 ] - [ 0.0005682100000000, 0.0016973000000000, -0.0003570300000000 ] - [ 0.0000210000000000, 0.0022389900000000, -0.0002923300000000 ] - [ -0.0000017800000000, 0.0020451000000000, -0.0002292600000000 ] - [ -0.0010151600000000, -0.0072669000000000, -0.0008852200000000 ] - [ 0.0031268900000000, -0.0053506200000000, -0.0003669600000000 ] - [ 0.0023411500000000, -0.0061413400000000, 0.0007544400000000 ] - [ -0.0209854500000000, -0.0439400300000000, 0.0211027100000000 ] - [ -0.0000067400000000, 0.0018732300000000, -0.0000777300000000 ] - [ -0.0001124100000000, 0.0021528100000000, 0.0000030200000000 ] - [ 0.0018792900000000, 0.0032206300000000, -0.0071592800000000 ] - [ -0.0010833600000000, 0.0010511600000000, -0.0007285400000000 ] - [ -0.0000675200000000, -0.0014418800000000, -0.0002818100000000 ] - [ -0.0001247300000000, -0.0012246700000000, -0.0002790500000000 ] - [ 0.0658576300000000, 0.0983760400000000, -0.0261667900000000 ] - [ -0.0003676700000000, 0.0014417000000000, 0.0000773200000000 ] - [ -0.0005327500000000, -0.0011288400000000, -0.0001432900000000 ] - [ -0.0006042600000000, -0.0010147700000000, -0.0001006200000000 ] - [ 0.0031179100000000, -0.0139978200000000, -0.0022193400000000 ] - [ -0.0003638800000000, 0.0007235800000000, -0.0003213900000000 ] - [ 0.0006347200000000, -0.0009454700000000, 0.0000897500000000 ] - [ 0.0003863100000000, -0.0003971300000000, -0.0000161400000000 ] - [ -0.0004478900000000, -0.0000741400000000, -0.0004858300000000 ] - [ -0.0002896300000000, 0.0001220700000000, -0.0001195500000000 ] - [ -0.0002684800000000, -0.0007845100000000, 0.0001695400000000 ] - [ -0.0004545700000000, -0.0007138000000000, 0.0001243500000000 ] - [ 0.0002572300000000, -0.0007787300000000, -0.0002046400000000 ] - [ 0.0002569400000000, -0.0006621600000000, -0.0001845200000000 ] - [ 0.0001055500000000, -0.0016770600000000, 0.0136080900000000 ] - [ -0.0010200200000000, 0.0018075400000000, -0.0000566300000000 ] - [ 0.0007719500000000, -0.0019667700000000, 0.0026294500000000 ] - [ -0.0009193000000000, 0.0002584800000000, 0.0004954500000000 ] - [ 0.0001727200000000, -0.0013365400000000, -0.0003293500000000 ] - [ -0.0003061200000000, -0.0007659300000000, 0.0000133100000000 ] - [ -0.0002850400000000, -0.0007197900000000, -0.0004206700000000 ] - [ 0.0000719500000000, -0.0002646700000000, 0.0000452900000000 ] - [ 0.0003912600000000, -0.0012748000000000, 0.0005313300000000 ] - [ -0.0010454000000000, -0.0008773400000000, 0.0011241800000000 ] - [ 0.0000562100000000, 0.0049466700000000, 0.0048338500000000 ] - [ -0.0007570700000000, 0.0012445300000000, 0.0001316100000000 ] - [ 0.0003019800000000, -0.0013022300000000, -0.0002149400000000 ] - [ 0.0001565200000000, -0.0010878100000000, -0.0001890800000000 ] - [ -0.0008343900000000, -0.0026128600000000, 0.0002269100000000 ] - [ 0.0000812900000000, -0.0003447400000000, -0.0002159900000000 ] - [ 0.0008278600000000, -0.0022643400000000, -0.0006097200000000 ] - [ -0.0009387900000000, -0.0006740900000000, -0.0007823500000000 ] - [ -0.0000363500000000, -0.0008718300000000, 0.0002105900000000 ] - [ -0.0000236100000000, -0.0006534900000000, 0.0001276800000000 ] - [ 0.0003190100000000, -0.0007981900000000, -0.0000377600000000 ] - [ -0.0005905600000000, -0.0003317400000000, -0.0001715300000000 ] - [ -0.0000017500000000, -0.0005611400000000, -0.0000620000000000 ] - [ -0.0000312100000000, -0.0004894600000000, -0.0001053100000000 ] - [ 0.0015455600000000, 0.0026585800000000, 0.0008607700000000 ] - [ -0.0002457000000000, 0.0014657000000000, -0.0005527900000000 ] - [ 0.0001292200000000, -0.0011663400000000, 0.0001580300000000 ] - [ 0.0001328000000000, -0.0007960200000000, 0.0000153400000000 ] - [ 0.0041990800000000, 0.0018021600000000, -0.0032068100000000 ] - [ -0.0012231900000000, 0.0013743500000000, -0.0004660400000000 ] - [ -0.0004584100000000, 0.0007782000000000, -0.0002033200000000 ] - [ 0.0007473100000000, 0.0008880000000000, -0.0001230600000000 ] - [ 0.0000214300000000, -0.0007148400000000, 0.0000866100000000 ] - [ -0.0003536700000000, -0.0008142900000000, 0.0001411200000000 ] - [ -0.0004123200000000, 0.0002854000000000, 0.0005270200000000 ] - [ 0.0000066800000000, 0.0002852000000000, 0.0003843900000000 ] - [ 0.0001592800000000, -0.0004534200000000, 0.0000978200000000 ] - [ -0.0002372100000000, -0.0004532700000000, 0.0000555700000000 ] - [ 0.0004402300000000, 0.0006889400000000, 0.0005941500000000 ] - [ 0.0006843500000000, 0.0015196300000000, -0.0002615000000000 ] - [ -0.0000117400000000, -0.0010857200000000, 0.0000840600000000 ] - [ -0.0000774400000000, -0.0011419500000000, 0.0000575800000000 ] - [ -0.0048547000000000, 0.0039067100000000, -0.0037840100000000 ] - [ 0.0041356200000000, 0.0046842200000000, -0.0029828400000000 ] - [ 0.0000586500000000, -0.0007054100000000, 0.0003012700000000 ] - [ 0.0000162700000000, -0.0007889900000000, 0.0002727400000000 ] - [ -0.0003886200000000, -0.0005933700000000, 0.0001107500000000 ] - [ 0.0001892200000000, -0.0006886500000000, -0.0000840700000000 ] - [ 0.0004270500000000, -0.0003752100000000, 0.0004354900000000 ] - [ -0.0002722700000000, -0.0010238300000000, 0.0006492000000000 ] - [ -0.0016393700000000, 0.0036702700000000, 0.0022035800000000 ] - [ -0.0007023600000000, 0.0049270900000000, 0.0005618500000000 ] - [ 0.0000688900000000, -0.0009428700000000, -0.0002393000000000 ] - [ 0.0000679700000000, -0.0010257300000000, -0.0002057800000000 ] - [ 0.0000643300000000, -0.0008967700000000, -0.0001736900000000 ] - [ 0.0001467700000000, -0.0008992000000000, -0.0001346400000000 ] - [ 0.0004666800000000, 0.0021265900000000, -0.0003868400000000 ] - [ -0.0018485500000000, 0.0023273000000000, 0.0024689200000000 ] - [ -0.0060225500000000, -0.0050567800000000, 0.0012454000000000 ] - [ 0.0019562300000000, 0.0000537900000000, 0.0013342100000000 ] - [ 0.0000042000000000, -0.0003909300000000, 0.0000462700000000 ] - [ -0.0005959000000000, -0.0012926600000000, -0.0001326600000000 ] - [ 0.0003039000000000, -0.0007771300000000, 0.0001087900000000 ] - [ 0.0004904300000000, -0.0008116300000000, 0.0000298500000000 ] - [ 0.0005684400000000, 0.0011732400000000, 0.0002377800000000 ] - [ -0.0039368500000000, 0.0017278000000000, -0.0043526100000000 ] - [ -0.0005890200000000, -0.0005268300000000, -0.0000389800000000 ] - [ -0.0004103000000000, -0.0005936300000000, -0.0000673100000000 ] - [ 0.0009615500000000, 0.0020797000000000, 0.0001626100000000 ] - [ -0.0220857000000000, -0.0108132600000000, 0.0083587600000000 ] - [ -0.0000531100000000, -0.0006936700000000, -0.0005515800000000 ] - [ 0.0025061900000000, -0.0020704900000000, -0.0006148600000000 ] - [ 0.0007592200000000, -0.0006914100000000, -0.0000600700000000 ] - [ 0.0004486100000000, -0.0020713100000000, 0.0005291300000000 ] - [ -0.0004009500000000, -0.0019677100000000, 0.0003648400000000 ] - [ 0.0007091600000000, -0.0015367600000000, 0.0006168500000000 ] - [ 0.0002079900000000, 0.0001194100000000, 0.0000352700000000 ] - [ -0.0005613500000000, -0.0038590400000000, 0.0002118400000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000177600000000, -0.0000699900000000, -0.0001391400000000 ] - [ 0.0001185700000000, 0.0001354400000000, -0.0001389100000000 ] - [ 0.0008135700000000, 0.0066343400000000, 0.0215449600000000 ] - [ 0.0013240500000000, -0.0010312700000000, 0.0012464300000000 ] - [ -0.0000429500000000, -0.0004335200000000, -0.0005025300000000 ] - [ -0.0000064400000000, -0.0001747200000000, -0.0004402000000000 ] - [ 0.0021820800000000, 0.0013788600000000, -0.0081379800000000 ] - [ -0.0001560600000000, -0.0000873500000000, -0.0019405000000000 ] - [ -0.0050207600000000, -0.0034003500000000, 0.0102845600000000 ] - [ -0.0000644900000000, -0.0006983000000000, 0.0051408500000000 ] - [ 0.0001100500000000, -0.0001321800000000, 0.0000808900000000 ] - [ -0.0002395900000000, -0.0001053500000000, 0.0001208700000000 ] - [ -0.0092573100000000, -0.0013935100000000, -0.0072551600000000 ] - [ 0.0030155900000000, 0.0002488600000000, -0.0039881900000000 ] - [ -0.0000724900000000, 0.0004278800000000, -0.0002422900000000 ] - [ -0.0000298200000000, 0.0003589600000000, -0.0002718700000000 ] - [ -0.0002557700000000, 0.0015082500000000, -0.0005144200000000 ] - [ 0.0000505200000000, 0.0006285600000000, -0.0000478400000000 ] - [ 0.0009421600000000, -0.0024052600000000, -0.0002453400000000 ] - [ -0.0013157200000000, -0.0006982600000000, 0.0000701000000000 ] - [ -0.0003424900000000, 0.0000410600000000, 0.0007298700000000 ] - [ 0.0002395000000000, -0.0002795700000000, 0.0005588300000000 ] - [ -0.0045478100000000, 0.0045323300000000, 0.0038971700000000 ] - [ 0.0020792700000000, 0.0028054500000000, 0.0000955500000000 ] - [ 0.0009675500000000, 0.0008314500000000, -0.0017153700000000 ] - [ -0.0019647400000000, 0.0035404100000000, -0.0045812700000000 ] - [ 0.0000236200000000, -0.0000342500000000, -0.0000187500000000 ] - [ 0.0000189000000000, -0.0002518200000000, -0.0004038200000000 ] - [ -0.0001247100000000, -0.0010509500000000, 0.0006377300000000 ] - [ 0.0006563900000000, -0.0080847300000000, 0.0012921600000000 ] - [ -0.0001604000000000, 0.0001619700000000, 0.0002071300000000 ] - [ 0.0001572900000000, 0.0004672200000000, 0.0004732700000000 ] - [ -0.0010509100000000, 0.0017247100000000, 0.0029197100000000 ] - [ 0.0024502400000000, 0.0012055200000000, 0.0024650000000000 ] - [ 0.0006642100000000, -0.0017243800000000, 0.0033187300000000 ] - [ 0.0001623600000000, -0.0000657400000000, 0.0014209900000000 ] - [ -0.0012498600000000, -0.0009737200000000, -0.0012457800000000 ] - [ 0.0006490000000000, -0.0006635800000000, -0.0016408800000000 ] - [ -0.0006334700000000, 0.0008995600000000, -0.0015549200000000 ] - [ 0.0003292700000000, 0.0005770100000000, -0.0009787700000000 ] - [ 0.0000047500000000, 0.0002264200000000, -0.0004349300000000 ] - [ 0.0000525200000000, 0.0001503100000000, -0.0003796900000000 ] - [ 0.0054716200000000, -0.0018898900000000, -0.0091614400000000 ] - [ -0.0044019900000000, 0.0002263100000000, -0.0039985000000000 ] - [ -0.0002196500000000, 0.0002726300000000, 0.0016554500000000 ] - [ -0.0583678100000000, -0.0218151300000000, 0.1077797300000000 ] - [ 0.0000037300000000, -0.0000133000000000, 0.0001151700000000 ] - [ -0.0000407500000000, -0.0001369500000000, 0.0000990600000000 ] - [ -0.0032313900000000, 0.0052516000000000, 0.0117519800000000 ] - [ -0.0004091600000000, 0.0001420600000000, -0.0000915100000000 ] - [ -0.0001159900000000, -0.0003435000000000, -0.0002127200000000 ] - [ -0.0001286300000000, -0.0003421100000000, -0.0002021100000000 ] - [ 0.0823380700000000, 0.0275841700000000, -0.1740167500000000 ] - [ -0.0006657500000000, -0.0003817700000000, -0.0013802800000000 ] - [ -0.0001832200000000, -0.0001644200000000, -0.0002447200000000 ] - [ -0.0001907000000000, -0.0002074800000000, -0.0002763700000000 ] - [ 0.0017162800000000, 0.0011381300000000, -0.0046356500000000 ] - [ -0.0002576700000000, 0.0007348000000000, -0.0009310500000000 ] - [ 0.0003452900000000, 0.0003926200000000, -0.0005000600000000 ] - [ 0.0004147900000000, 0.0001075600000000, -0.0002627200000000 ] - [ 0.0005542600000000, 0.0010216300000000, 0.0021493000000000 ] - [ -0.0007888100000000, -0.0002166800000000, 0.0007724600000000 ] - [ -0.0003201000000000, -0.0003899100000000, 0.0003720300000000 ] - [ -0.0002144800000000, -0.0001539700000000, 0.0001229200000000 ] - [ 0.0000152400000000, 0.0002478700000000, -0.0002420800000000 ] - [ -0.0000764400000000, 0.0002557900000000, -0.0002123600000000 ] - [ 0.0000316300000000, -0.0122245100000000, 0.0149351200000000 ] - [ -0.0004939400000000, 0.0000361100000000, -0.0001737400000000 ] - [ 0.0010063100000000, -0.0023847200000000, 0.0000887100000000 ] - [ -0.0011682100000000, 0.0001526500000000, 0.0000038800000000 ] - [ -0.0002403300000000, 0.0006185400000000, 0.0000983600000000 ] - [ 0.0000937600000000, 0.0001516200000000, -0.0000370500000000 ] - [ 0.0006021600000000, 0.0007473100000000, 0.0002921600000000 ] - [ -0.0001786100000000, 0.0003191000000000, 0.0001836500000000 ] - [ 0.0002976400000000, -0.0018718100000000, 0.0010969200000000 ] - [ -0.0002976300000000, -0.0003202300000000, 0.0006050700000000 ] - [ -0.0048757300000000, -0.0013381900000000, 0.0129280300000000 ] - [ 0.0008555700000000, -0.0005683300000000, -0.0001622600000000 ] - [ -0.0000039500000000, -0.0001901300000000, -0.0000780100000000 ] - [ 0.0000076300000000, -0.0002596900000000, -0.0000881600000000 ] - [ 0.0004472900000000, -0.0000046800000000, -0.0006750200000000 ] - [ -0.0000408200000000, -0.0000512400000000, -0.0004253400000000 ] - [ -0.0004489800000000, 0.0003116300000000, -0.0019602200000000 ] - [ -0.0002023800000000, -0.0002427100000000, -0.0010878900000000 ] - [ 0.0000365000000000, -0.0000483900000000, 0.0005977000000000 ] - [ -0.0001847800000000, -0.0003778200000000, 0.0002783100000000 ] - [ 0.0002750100000000, -0.0003418200000000, 0.0014149200000000 ] - [ -0.0000641300000000, -0.0002570600000000, 0.0006222300000000 ] - [ 0.0003130800000000, 0.0002451100000000, 0.0000286800000000 ] - [ 0.0002560300000000, 0.0002014500000000, -0.0000077600000000 ] - [ 0.0017053300000000, 0.0011795200000000, 0.0052102600000000 ] - [ 0.0006809300000000, -0.0002404000000000, 0.0014650000000000 ] - [ 0.0001920100000000, -0.0000168600000000, -0.0000909000000000 ] - [ 0.0000969500000000, 0.0000958300000000, -0.0000942200000000 ] - [ -0.0043332600000000, 0.0033975300000000, 0.0044791700000000 ] - [ 0.0011174300000000, 0.0009739400000000, -0.0004615600000000 ] - [ 0.0006323400000000, 0.0015649800000000, 0.0005857000000000 ] - [ -0.0011815300000000, 0.0015489400000000, 0.0012640700000000 ] - [ 0.0000416200000000, -0.0001939500000000, 0.0002114100000000 ] - [ -0.0002252800000000, -0.0000632100000000, 0.0002251400000000 ] - [ 0.0003425800000000, -0.0000793500000000, 0.0011307100000000 ] - [ 0.0002936600000000, -0.0002218400000000, 0.0011299700000000 ] - [ -0.0002122600000000, 0.0002494400000000, 0.0006599200000000 ] - [ -0.0001435100000000, 0.0002077000000000, 0.0006591500000000 ] - [ -0.0001133200000000, -0.0005332600000000, 0.0033749500000000 ] - [ 0.0004707000000000, -0.0011550700000000, 0.0032588800000000 ] - [ 0.0002527800000000, -0.0003748200000000, 0.0001567400000000 ] - [ 0.0002618700000000, -0.0003282100000000, 0.0001600800000000 ] - [ 0.0022198000000000, 0.0015070800000000, -0.0030870300000000 ] - [ -0.0068277700000000, 0.0017115100000000, -0.0015745600000000 ] - [ -0.0002184900000000, 0.0000218700000000, -0.0000183300000000 ] - [ -0.0002325100000000, 0.0000754200000000, -0.0000144800000000 ] - [ 0.0002302200000000, 0.0000815900000000, 0.0002730700000000 ] - [ -0.0002736000000000, 0.0004115900000000, 0.0005399300000000 ] - [ 0.0003315300000000, -0.0005177900000000, 0.0007209100000000 ] - [ -0.0005308500000000, -0.0010618700000000, 0.0006073800000000 ] - [ -0.0026760500000000, 0.0002711400000000, 0.0010811900000000 ] - [ 0.0062635300000000, -0.0012900200000000, 0.0037269300000000 ] - [ -0.0000306600000000, -0.0000556900000000, -0.0000934500000000 ] - [ -0.0000145700000000, 0.0000462300000000, -0.0000818100000000 ] - [ 0.0000554700000000, -0.0000196000000000, -0.0001916600000000 ] - [ 0.0000408600000000, 0.0000596200000000, -0.0001941000000000 ] - [ 0.0017372500000000, -0.0003628300000000, -0.0003462000000000 ] - [ -0.0055802900000000, -0.0043077300000000, 0.0046088300000000 ] - [ -0.0052389800000000, -0.0044903700000000, 0.0013825600000000 ] - [ 0.0007309100000000, -0.0004965000000000, -0.0005685000000000 ] - [ -0.0001747600000000, 0.0003554600000000, -0.0001263700000000 ] - [ 0.0005012300000000, 0.0013489400000000, -0.0000905300000000 ] - [ 0.0002158100000000, -0.0001410700000000, 0.0002739400000000 ] - [ 0.0001458600000000, -0.0000444100000000, 0.0002847600000000 ] - [ -0.0010905000000000, 0.0005396400000000, 0.0016621700000000 ] - [ 0.0028010800000000, 0.0003509600000000, 0.0069846400000000 ] - [ -0.0001736200000000, 0.0002901200000000, -0.0001059100000000 ] - [ -0.0001709300000000, 0.0003838200000000, -0.0000915500000000 ] - [ -0.0002286000000000, 0.0004296600000000, -0.0015387200000000 ] - [ -0.0027636600000000, -0.0021697000000000, -0.0077705200000000 ] - [ 0.0002064500000000, -0.0003702500000000, -0.0007034300000000 ] - [ 0.0001413500000000, 0.0002179400000000, -0.0010503400000000 ] - [ 0.0009921500000000, -0.0008625600000000, -0.0007034800000000 ] - [ 0.0007850900000000, -0.0009242500000000, -0.0010416800000000 ] - [ -0.0001886300000000, -0.0013868400000000, 0.0002293800000000 ] - [ 0.0003677500000000, -0.0007098200000000, 0.0000289100000000 ] - [ -0.0002627500000000, 0.0002674800000000, -0.0003105100000000 ] - [ 0.0012685700000000, 0.0064822700000000, -0.0026401800000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000724300000000, -0.0003933100000000, -0.0002774100000000 ] - [ -0.0000265300000000, -0.0006005100000000, -0.0002765400000000 ] - [ -0.0011743400000000, -0.0079637900000000, -0.0229030700000000 ] - [ -0.0012287300000000, 0.0005548500000000, -0.0016762900000000 ] - [ 0.0000123300000000, 0.0003718700000000, 0.0001168300000000 ] - [ -0.0000232500000000, 0.0001139200000000, 0.0000548900000000 ] - [ -0.0021900900000000, -0.0014300900000000, 0.0077360800000000 ] - [ 0.0001222800000000, 0.0000248400000000, 0.0015606200000000 ] - [ 0.0052753100000000, 0.0036687600000000, -0.0106314700000000 ] - [ 0.0000814900000000, 0.0007607100000000, -0.0055356300000000 ] - [ -0.0000803300000000, 0.0001983500000000, -0.0004679300000000 ] - [ 0.0002717200000000, 0.0001714700000000, -0.0005079100000000 ] - [ 0.0090913200000000, 0.0018512800000000, 0.0068373200000000 ] - [ -0.0030835300000000, 0.0002174700000000, 0.0035829200000000 ] - [ -0.0000190600000000, 0.0000460700000000, -0.0001723300000000 ] - [ -0.0000610200000000, 0.0001134600000000, -0.0001429100000000 ] - [ 0.0003500900000000, -0.0010321300000000, 0.0009216300000000 ] - [ 0.0000386100000000, -0.0001556100000000, 0.0004592100000000 ] - [ -0.0008584000000000, 0.0028855100000000, 0.0006543000000000 ] - [ 0.0014179000000000, 0.0011737300000000, 0.0003445800000000 ] - [ 0.0003143900000000, 0.0000270600000000, -0.0003363300000000 ] - [ -0.0002713200000000, 0.0003456600000000, -0.0001688200000000 ] - [ 0.0044952800000000, -0.0044780600000000, -0.0034638800000000 ] - [ -0.0021263100000000, -0.0027632500000000, 0.0003176700000000 ] - [ -0.0009350400000000, -0.0008993100000000, 0.0020925900000000 ] - [ 0.0019924000000000, -0.0036199200000000, 0.0049530200000000 ] - [ 0.0000053100000000, -0.0000243300000000, 0.0004046100000000 ] - [ 0.0000118200000000, 0.0001954100000000, 0.0007905200000000 ] - [ 0.0000354800000000, 0.0005865800000000, -0.0002133200000000 ] - [ -0.0007448400000000, 0.0075633300000000, -0.0008358100000000 ] - [ 0.0000659900000000, -0.0006304400000000, 0.0002091600000000 ] - [ -0.0002448500000000, -0.0009323800000000, -0.0000537100000000 ] - [ 0.0010850000000000, -0.0019334400000000, -0.0026691900000000 ] - [ -0.0023789900000000, -0.0014447800000000, -0.0021844000000000 ] - [ -0.0006146500000000, 0.0014810200000000, -0.0030643700000000 ] - [ -0.0001065900000000, -0.0001837200000000, -0.0011459800000000 ] - [ 0.0011844300000000, 0.0012110700000000, 0.0015200400000000 ] - [ -0.0007052500000000, 0.0009067000000000, 0.0019143900000000 ] - [ 0.0005666800000000, -0.0006417800000000, 0.0018304600000000 ] - [ -0.0003823800000000, -0.0003284500000000, 0.0012600400000000 ] - [ 0.0000545400000000, 0.0000255500000000, 0.0001578700000000 ] - [ 0.0000073500000000, 0.0001007500000000, 0.0001035000000000 ] - [ -0.0054333200000000, 0.0021127800000000, 0.0088741600000000 ] - [ 0.0044831200000000, 0.0000101200000000, 0.0037246600000000 ] - [ 0.0001892000000000, -0.0005466500000000, -0.0019065400000000 ] - [ 0.0538692300000000, 0.0198545200000000, -0.1031266900000000 ] - [ -0.0000630500000000, -0.0002286800000000, -0.0003904400000000 ] - [ -0.0000189700000000, -0.0001049400000000, -0.0003734200000000 ] - [ 0.0028981300000000, -0.0055309000000000, -0.0117604500000000 ] - [ 0.0001337900000000, -0.0005775800000000, -0.0002366700000000 ] - [ -0.0001485300000000, -0.0000958900000000, -0.0001054200000000 ] - [ -0.0001356600000000, -0.0000971400000000, -0.0001161400000000 ] - [ -0.0781077600000000, -0.0253814500000000, 0.1695404700000000 ] - [ 0.0002009400000000, 0.0000035300000000, 0.0011496100000000 ] - [ -0.0002779500000000, -0.0002168300000000, 0.0000094600000000 ] - [ -0.0002712900000000, -0.0001740800000000, 0.0000416600000000 ] - [ -0.0012585300000000, -0.0005402700000000, 0.0045240400000000 ] - [ 0.0006964200000000, -0.0000545100000000, 0.0008440800000000 ] - [ 0.0000970500000000, 0.0002886700000000, 0.0004140100000000 ] - [ 0.0000292500000000, 0.0005718100000000, 0.0001770300000000 ] - [ -0.0009562000000000, -0.0011507600000000, -0.0023615800000000 ] - [ 0.0003788300000000, 0.0000742500000000, -0.0009923000000000 ] - [ -0.0000900400000000, 0.0002427400000000, -0.0005906900000000 ] - [ -0.0001936100000000, 0.0000117800000000, -0.0003434200000000 ] - [ -0.0000391200000000, 0.0001859300000000, -0.0000659600000000 ] - [ 0.0000521200000000, 0.0001785000000000, -0.0000953300000000 ] - [ 0.0000316700000000, 0.0123675200000000, -0.0149775200000000 ] - [ 0.0004714400000000, 0.0004002800000000, -0.0001396200000000 ] - [ -0.0010804900000000, 0.0023776700000000, 0.0001990000000000 ] - [ 0.0010831600000000, -0.0001486200000000, 0.0002743900000000 ] - [ 0.0001606200000000, -0.0006206400000000, 0.0001782400000000 ] - [ -0.0001777600000000, -0.0001502900000000, 0.0003136100000000 ] - [ -0.0005168300000000, -0.0007467900000000, -0.0000196800000000 ] - [ 0.0002592200000000, -0.0003206100000000, 0.0000903300000000 ] - [ -0.0002131900000000, 0.0018551700000000, -0.0008216100000000 ] - [ 0.0003854300000000, 0.0003232300000000, -0.0003382600000000 ] - [ 0.0049558200000000, 0.0009527400000000, -0.0133854500000000 ] - [ -0.0008411500000000, 0.0001366800000000, -0.0001418100000000 ] - [ 0.0000292100000000, -0.0002486400000000, -0.0002291300000000 ] - [ 0.0000171500000000, -0.0001778800000000, -0.0002191200000000 ] - [ -0.0000448100000000, 0.0001333200000000, 0.0004587100000000 ] - [ 0.0004480800000000, 0.0001922200000000, 0.0002060700000000 ] - [ 0.0008628800000000, -0.0001561300000000, 0.0017490700000000 ] - [ 0.0006133700000000, 0.0003895300000000, 0.0008736000000000 ] - [ -0.0004787900000000, -0.0006298100000000, -0.0006799600000000 ] - [ -0.0002584300000000, -0.0003023200000000, -0.0003626400000000 ] - [ -0.0007131700000000, -0.0003450600000000, -0.0015003100000000 ] - [ -0.0003801500000000, -0.0004246100000000, -0.0007110300000000 ] - [ 0.0001473300000000, 0.0001323600000000, -0.0002636700000000 ] - [ 0.0002041500000000, 0.0001763500000000, -0.0002275700000000 ] - [ -0.0012407700000000, -0.0007988300000000, -0.0054422600000000 ] - [ -0.0002242200000000, 0.0006220500000000, -0.0017055500000000 ] - [ 0.0000722600000000, 0.0004494400000000, -0.0002247800000000 ] - [ 0.0001674400000000, 0.0003379600000000, -0.0002220900000000 ] - [ 0.0046362400000000, -0.0029820500000000, -0.0048218400000000 ] - [ -0.0008632200000000, -0.0005385200000000, 0.0001493400000000 ] - [ -0.0008902700000000, -0.0011208100000000, -0.0002711100000000 ] - [ 0.0009115100000000, -0.0011089500000000, -0.0009462300000000 ] - [ -0.0003039800000000, 0.0006267800000000, 0.0001061900000000 ] - [ -0.0000405300000000, 0.0004985400000000, 0.0000928900000000 ] - [ -0.0008021500000000, 0.0004602200000000, -0.0008909100000000 ] - [ -0.0007551000000000, 0.0006027600000000, -0.0008916500000000 ] - [ -0.0002458600000000, 0.0001267400000000, -0.0004236200000000 ] - [ -0.0003185500000000, 0.0001699500000000, -0.0004243700000000 ] - [ 0.0005697400000000, -0.0001393800000000, -0.0032859800000000 ] - [ -0.0000313600000000, 0.0004804400000000, -0.0031727700000000 ] - [ 0.0001897900000000, -0.0003074300000000, -0.0000698500000000 ] - [ 0.0001801700000000, -0.0003540700000000, -0.0000734200000000 ] - [ -0.0026729400000000, -0.0013663100000000, 0.0032568800000000 ] - [ 0.0063604700000000, -0.0015241600000000, 0.0017219000000000 ] - [ -0.0001886800000000, 0.0001186700000000, 0.0002385500000000 ] - [ -0.0001747800000000, 0.0000656500000000, 0.0002348100000000 ] - [ -0.0002541300000000, -0.0005166600000000, 0.0000343600000000 ] - [ 0.0002474900000000, -0.0008448300000000, -0.0002313800000000 ] - [ -0.0003517900000000, 0.0000809300000000, -0.0004135900000000 ] - [ 0.0004983500000000, 0.0006217700000000, -0.0003045500000000 ] - [ 0.0025886700000000, -0.0002532700000000, -0.0013329400000000 ] - [ -0.0063768100000000, 0.0013072400000000, -0.0040059400000000 ] - [ -0.0000519100000000, 0.0000512700000000, -0.0001809200000000 ] - [ -0.0000676300000000, -0.0000511300000000, -0.0001925300000000 ] - [ 0.0000276700000000, 0.0000196100000000, -0.0000837400000000 ] - [ 0.0000420900000000, -0.0000592000000000, -0.0000809700000000 ] - [ -0.0016408000000000, 0.0003698400000000, 0.0000588100000000 ] - [ 0.0056512600000000, 0.0043024000000000, -0.0049030700000000 ] - [ 0.0052387900000000, 0.0049053800000000, -0.0010938500000000 ] - [ -0.0006975400000000, 0.0009312800000000, 0.0008853000000000 ] - [ 0.0002001600000000, 0.0000787200000000, 0.0004348200000000 ] - [ -0.0004820900000000, -0.0009241500000000, 0.0003994300000000 ] - [ 0.0001924700000000, -0.0000031600000000, -0.0000533100000000 ] - [ 0.0002632100000000, -0.0001000200000000, -0.0000640900000000 ] - [ 0.0015071100000000, -0.0006800000000000, -0.0014412100000000 ] - [ -0.0024066100000000, -0.0004836300000000, -0.0067833600000000 ] - [ -0.0002694300000000, 0.0003887200000000, 0.0001923700000000 ] - [ -0.0002719300000000, 0.0002935700000000, 0.0001769400000000 ] - [ -0.0002265100000000, 0.0002602000000000, 0.0016210600000000 ] - [ 0.0024096200000000, 0.0029025500000000, 0.0077412300000000 ] - [ 0.0002533800000000, -0.0000112200000000, 0.0009360000000000 ] - [ 0.0003299000000000, -0.0006029000000000, 0.0012742900000000 ] - [ -0.0005261000000000, 0.0004808900000000, 0.0009359900000000 ] - [ -0.0003297400000000, 0.0005550800000000, 0.0012829100000000 ] - [ 0.0004509900000000, 0.0009445000000000, 0.0000902200000000 ] - [ -0.0001000700000000, 0.0002679300000000, 0.0002909100000000 ] - [ 0.0005301900000000, -0.0007030900000000, 0.0006315500000000 ] - [ -0.0010089700000000, -0.0069880700000000, 0.0029904500000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0014026100000000, 0.0002655300000000, -0.0003587600000000 ] - [ -0.0006418900000000, -0.0003474600000000, -0.0002534600000000 ] - [ 0.0016019900000000, 0.0004313500000000, -0.0000312600000000 ] - [ -0.0017718100000000, 0.0011836800000000, -0.0003863900000000 ] - [ 0.0015103000000000, 0.0007181800000000, 0.0005637900000000 ] - [ -0.0011278900000000, -0.0000041500000000, -0.0000167600000000 ] - [ 0.0006917200000000, 0.0003011200000000, 0.0000131200000000 ] - [ -0.0008302800000000, 0.0004678700000000, 0.0000109800000000 ] - [ 0.0116915000000000, -0.0050812800000000, -0.0035536700000000 ] - [ -0.0055166500000000, -0.0040209800000000, -0.0002653300000000 ] - [ 0.0001801700000000, 0.0005566100000000, -0.0003262000000000 ] - [ -0.0001723600000000, 0.0007198400000000, -0.0003565600000000 ] - [ 0.0012700100000000, 0.0013025900000000, -0.0021921200000000 ] - [ -0.0013872700000000, -0.0014602700000000, 0.0005220300000000 ] - [ 0.0000981700000000, 0.0006481200000000, -0.0001201100000000 ] - [ -0.0001731000000000, 0.0010737800000000, -0.0000333800000000 ] - [ -0.0001848900000000, -0.0020275100000000, 0.0022459800000000 ] - [ -0.0023437000000000, 0.0027126700000000, -0.0011996400000000 ] - [ 0.0001133800000000, 0.0011925800000000, 0.0002418700000000 ] - [ -0.0000034200000000, 0.0005723700000000, 0.0002898200000000 ] - [ -0.0001404600000000, -0.0036527800000000, -0.0017404300000000 ] - [ -0.0054901500000000, 0.0050171900000000, 0.0017709500000000 ] - [ 0.0003221700000000, 0.0009689700000000, 0.0000145400000000 ] - [ -0.0002173200000000, 0.0000830700000000, 0.0000228300000000 ] - [ -0.0024948700000000, -0.0016264300000000, 0.0018111700000000 ] - [ 0.0043078300000000, -0.0024214100000000, -0.0008712500000000 ] - [ -0.0001430500000000, 0.0004827700000000, 0.0002192600000000 ] - [ 0.0002111300000000, 0.0005308500000000, 0.0002047000000000 ] - [ -0.0034115600000000, -0.0014013300000000, -0.0010508800000000 ] - [ 0.0191209700000000, -0.0082032500000000, -0.0116235200000000 ] - [ -0.0001765600000000, 0.0003684700000000, 0.0001477300000000 ] - [ 0.0000872200000000, 0.0003460800000000, 0.0002036100000000 ] - [ 0.0566353000000000, -0.0378852500000000, 0.0246313100000000 ] - [ -0.0065211300000000, -0.0025017900000000, 0.0003378800000000 ] - [ 0.0002922900000000, 0.0005803500000000, 0.0000573700000000 ] - [ -0.0002174400000000, 0.0007180600000000, 0.0000376300000000 ] - [ 0.0032583400000000, -0.0012217200000000, -0.0010204400000000 ] - [ -0.0035259500000000, -0.0002457200000000, 0.0017201800000000 ] - [ 0.0001112000000000, 0.0008559000000000, 0.0002252500000000 ] - [ -0.0001526000000000, 0.0007424700000000, 0.0002041500000000 ] - [ 0.0001273700000000, 0.0001317900000000, 0.0001052300000000 ] - [ -0.0001170200000000, 0.0009966900000000, -0.0001376200000000 ] - [ 0.0014081900000000, 0.0026823300000000, 0.0031077000000000 ] - [ -0.0006051700000000, -0.0008428900000000, -0.0001174400000000 ] - [ -0.0040783300000000, 0.0019788400000000, -0.0011429000000000 ] - [ 0.0045253600000000, -0.0028144200000000, -0.0018192000000000 ] - [ -0.0011383700000000, 0.0004000700000000, -0.0007848400000000 ] - [ 0.0011292800000000, 0.0014370500000000, 0.0002461500000000 ] - [ -0.0031005400000000, 0.0021184800000000, 0.0005441700000000 ] - [ 0.0014964800000000, 0.0001954500000000, 0.0006266000000000 ] - [ -0.0003397200000000, -0.0006395900000000, -0.0002510800000000 ] - [ 0.0000931600000000, -0.0008249900000000, -0.0002008600000000 ] - [ -0.0050932900000000, -0.0031033000000000, 0.0013730000000000 ] - [ 0.0016022500000000, 0.0003997700000000, -0.0005962400000000 ] - [ -0.0007995800000000, -0.0006071400000000, 0.0000055600000000 ] - [ -0.0000825400000000, -0.0003569900000000, 0.0000752700000000 ] - [ -0.0948122400000000, 0.0710319000000000, 0.0015655000000000 ] - [ 0.0020834300000000, 0.0003286000000000, -0.0001569200000000 ] - [ 0.0002381300000000, 0.0000565600000000, 0.0000212900000000 ] - [ 0.0003767800000000, 0.0000414400000000, -0.0000201300000000 ] - [ -0.0037538900000000, 0.0001616500000000, -0.0021790800000000 ] - [ 0.0014964900000000, 0.0008362900000000, -0.0007176200000000 ] - [ -0.0003471200000000, -0.0003510300000000, -0.0000781700000000 ] - [ -0.0001993400000000, -0.0003051900000000, -0.0000994800000000 ] - [ -0.0007156200000000, 0.0002221500000000, -0.0000991900000000 ] - [ 0.0017466900000000, -0.0012688700000000, -0.0003093000000000 ] - [ -0.0005851500000000, 0.0002141600000000, 0.0001879000000000 ] - [ 0.0006187800000000, 0.0002261400000000, -0.0000381000000000 ] - [ -0.0069870100000000, 0.0029568900000000, -0.0098017300000000 ] - [ 0.0027242400000000, 0.0003888900000000, 0.0000856900000000 ] - [ -0.0001618500000000, -0.0003428800000000, 0.0001296100000000 ] - [ 0.0000213900000000, -0.0003283400000000, 0.0001170900000000 ] - [ -0.0029479300000000, -0.0001797100000000, 0.0009908700000000 ] - [ 0.0016119000000000, 0.0005449800000000, -0.0000920200000000 ] - [ -0.0001002300000000, -0.0003024200000000, 0.0001727200000000 ] - [ 0.0001040400000000, -0.0003008700000000, 0.0001390700000000 ] - [ -0.0024763800000000, -0.0008757000000000, -0.0033219000000000 ] - [ 0.0010693800000000, 0.0001038300000000, 0.0000386700000000 ] - [ -0.0001328100000000, -0.0003454200000000, -0.0001183700000000 ] - [ 0.0002526600000000, -0.0005631100000000, -0.0001977400000000 ] - [ -0.0040486100000000, 0.0086280300000000, -0.0028440500000000 ] - [ 0.0027755100000000, 0.0007031800000000, 0.0006541700000000 ] - [ -0.0000380900000000, -0.0002914300000000, -0.0001393400000000 ] - [ 0.0003209900000000, -0.0001594300000000, -0.0000791800000000 ] - [ -0.0008331700000000, -0.0001222700000000, -0.0006395400000000 ] - [ 0.0005328100000000, -0.0004372600000000, 0.0000184000000000 ] - [ -0.0002678500000000, -0.0006130400000000, -0.0001757000000000 ] - [ -0.0000365600000000, -0.0005797200000000, -0.0000441200000000 ] - [ -0.0000942200000000, 0.0000014500000000, -0.0003738300000000 ] - [ 0.0003188300000000, -0.0000089600000000, -0.0001544400000000 ] - [ -0.0002068400000000, -0.0003538300000000, -0.0006131000000000 ] - [ 0.0006127600000000, 0.0005587900000000, -0.0002757200000000 ] - [ -0.0001251800000000, 0.0007710100000000, -0.0003701100000000 ] - [ 0.0004173200000000, -0.0005771700000000, -0.0001228300000000 ] - [ -0.0003351200000000, -0.0008400400000000, -0.0001044100000000 ] - [ 0.0006213700000000, 0.0003299800000000, -0.0003542700000000 ] - [ 0.0003136000000000, 0.0013000500000000, 0.0033166600000000 ] - [ 0.0028308000000000, 0.0012362800000000, -0.0008163900000000 ] - [ -0.0001506100000000, -0.0001380900000000, 0.0000975000000000 ] - [ -0.0001313400000000, -0.0002070300000000, 0.0000957800000000 ] - [ -0.0007082200000000, 0.0006608600000000, -0.0001275400000000 ] - [ 0.0001015400000000, 0.0004100300000000, 0.0004584000000000 ] - [ -0.0001312500000000, -0.0001110300000000, 0.0000767800000000 ] - [ -0.0001502900000000, -0.0000452000000000, 0.0000863800000000 ] - [ 0.0002399500000000, -0.0000180300000000, -0.0008310100000000 ] - [ 0.0002431200000000, 0.0001475500000000, -0.0002369700000000 ] - [ 0.0001265200000000, -0.0005033900000000, -0.0000101000000000 ] - [ 0.0001274700000000, -0.0006560000000000, -0.0000123000000000 ] - [ 0.0038925400000000, -0.0033207000000000, 0.0036143300000000 ] - [ 0.0006703700000000, 0.0039538600000000, -0.0009832500000000 ] - [ -0.0001369600000000, -0.0000449900000000, 0.0001918000000000 ] - [ -0.0000187600000000, -0.0005414000000000, 0.0001846700000000 ] - [ 0.0001475400000000, 0.0005885500000000, 0.0004185000000000 ] - [ 0.0010076100000000, -0.0014313200000000, -0.0012208800000000 ] - [ -0.0000504700000000, -0.0006007300000000, 0.0001686200000000 ] - [ -0.0000897500000000, -0.0004149300000000, 0.0001367300000000 ] - [ 0.0051087700000000, -0.0043305100000000, -0.0062612200000000 ] - [ -0.0002455500000000, 0.0013096600000000, 0.0003186400000000 ] - [ 0.0000171800000000, -0.0001041300000000, -0.0001415100000000 ] - [ -0.0000626700000000, -0.0003360300000000, -0.0001235700000000 ] - [ 0.0005306800000000, 0.0001646100000000, -0.0000525300000000 ] - [ -0.0003479000000000, -0.0009192200000000, -0.0004663400000000 ] - [ 0.0003120900000000, -0.0007926300000000, 0.0004419800000000 ] - [ -0.0003256400000000, 0.0006399700000000, -0.0004330100000000 ] - [ 0.0044511100000000, 0.0027927000000000, -0.0017558300000000 ] - [ 0.0045691500000000, -0.0013175400000000, 0.0097541900000000 ] - [ -0.0000383100000000, -0.0001456500000000, 0.0001630900000000 ] - [ -0.0001044400000000, -0.0001007700000000, 0.0001539000000000 ] - [ 0.0004179800000000, -0.0000788500000000, -0.0000856500000000 ] - [ 0.0002420800000000, -0.0004646000000000, 0.0000912400000000 ] - [ 0.0006007500000000, -0.0011680800000000, -0.0006841700000000 ] - [ -0.0001413800000000, 0.0002284400000000, 0.0000315200000000 ] - [ 0.0001637500000000, 0.0006673500000000, 0.0001272500000000 ] - [ -0.0011401000000000, -0.0013740600000000, 0.0004546500000000 ] - [ 0.0001676800000000, -0.0004749200000000, 0.0000550300000000 ] - [ -0.0011449000000000, 0.0003628300000000, 0.0005259000000000 ] - [ 0.0025429000000000, 0.0010053200000000, 0.0001175100000000 ] - [ 0.0151817300000000, -0.0216956400000000, -0.0024211900000000 ] - [ 0.0003815900000000, -0.0005604200000000, 0.0001655600000000 ] - [ 0.0002464200000000, -0.0003801900000000, 0.0001680700000000 ] - [ 0.0013126100000000, 0.0008375900000000, 0.0000564700000000 ] - [ -0.0010703600000000, -0.0034772900000000, 0.0030186400000000 ] - [ 0.0002128900000000, -0.0008077800000000, 0.0002291600000000 ] - [ 0.0000007300000000, -0.0005940300000000, 0.0002144200000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013271900000000, -0.0007113400000000, -0.0000632300000000 ] - [ 0.0007385000000000, -0.0001221500000000, -0.0001618300000000 ] - [ -0.0015035000000000, -0.0008954500000000, -0.0003829000000000 ] - [ 0.0018529900000000, -0.0016403800000000, -0.0000268700000000 ] - [ -0.0015476100000000, -0.0007741800000000, -0.0009499800000000 ] - [ 0.0011027100000000, -0.0000598400000000, -0.0003706000000000 ] - [ -0.0007195700000000, -0.0003579800000000, -0.0003985300000000 ] - [ 0.0007961800000000, -0.0005231000000000, -0.0003967800000000 ] - [ -0.0112551500000000, 0.0046157900000000, 0.0027953900000000 ] - [ 0.0055450100000000, 0.0040793100000000, -0.0001168700000000 ] - [ -0.0001486600000000, -0.0004840600000000, -0.0000592800000000 ] - [ 0.0002017200000000, -0.0006506500000000, -0.0000293700000000 ] - [ -0.0013523900000000, -0.0008282000000000, 0.0017541300000000 ] - [ 0.0012909600000000, 0.0019204400000000, -0.0009425300000000 ] - [ -0.0001878400000000, -0.0001699500000000, -0.0002958700000000 ] - [ 0.0000815700000000, -0.0005989800000000, -0.0003822300000000 ] - [ 0.0003351100000000, 0.0025003700000000, -0.0018588400000000 ] - [ 0.0024225000000000, -0.0022556400000000, 0.0016141400000000 ] - [ -0.0000210400000000, -0.0007130900000000, 0.0001744400000000 ] - [ 0.0000947100000000, -0.0000964900000000, 0.0001266400000000 ] - [ 0.0001568300000000, 0.0037124100000000, 0.0021649400000000 ] - [ 0.0054590900000000, -0.0049615800000000, -0.0013858700000000 ] - [ -0.0003483700000000, -0.0008961500000000, 0.0003695300000000 ] - [ 0.0001868000000000, -0.0000139900000000, 0.0003614900000000 ] - [ 0.0025206300000000, 0.0015464600000000, -0.0014089000000000 ] - [ -0.0043089300000000, 0.0023221900000000, 0.0012384000000000 ] - [ 0.0001747500000000, -0.0005371700000000, 0.0001663200000000 ] - [ -0.0001817800000000, -0.0005845200000000, 0.0001802600000000 ] - [ 0.0033072400000000, 0.0009164300000000, 0.0014503100000000 ] - [ -0.0193651700000000, 0.0078330200000000, 0.0125207900000000 ] - [ 0.0000857900000000, -0.0008311500000000, 0.0002671300000000 ] - [ -0.0001782400000000, -0.0008086100000000, 0.0002113700000000 ] - [ -0.0567200900000000, 0.0386913400000000, -0.0253037200000000 ] - [ 0.0065559800000000, 0.0022237000000000, -0.0000569900000000 ] - [ -0.0002317700000000, -0.0008168900000000, 0.0002188500000000 ] - [ 0.0002767300000000, -0.0009537900000000, 0.0002387900000000 ] - [ -0.0032989300000000, 0.0014357700000000, 0.0012855700000000 ] - [ 0.0034528900000000, 0.0004866500000000, -0.0014379400000000 ] - [ -0.0001692600000000, -0.0005996000000000, 0.0000508900000000 ] - [ 0.0000929000000000, -0.0004876400000000, 0.0000716200000000 ] - [ -0.0000599800000000, 0.0001312800000000, -0.0003879300000000 ] - [ 0.0001721200000000, -0.0007441900000000, -0.0001388700000000 ] - [ -0.0013403800000000, -0.0024191700000000, -0.0033581700000000 ] - [ 0.0006602700000000, 0.0010864300000000, -0.0001548300000000 ] - [ 0.0039923500000000, -0.0022070000000000, 0.0008546700000000 ] - [ -0.0045866600000000, 0.0025517000000000, 0.0015350400000000 ] - [ 0.0010837600000000, -0.0006379100000000, 0.0005097100000000 ] - [ -0.0011961700000000, -0.0016741400000000, -0.0005191800000000 ] - [ 0.0028162300000000, -0.0025387800000000, -0.0008738900000000 ] - [ -0.0017495100000000, -0.0006266900000000, -0.0009362100000000 ] - [ 0.0000766400000000, 0.0001974400000000, -0.0000675500000000 ] - [ -0.0003578900000000, 0.0003843800000000, -0.0001174000000000 ] - [ 0.0045911300000000, 0.0027294600000000, -0.0016018600000000 ] - [ -0.0020536000000000, -0.0007789200000000, 0.0003580400000000 ] - [ 0.0003401700000000, 0.0002218700000000, -0.0002426000000000 ] - [ -0.0003801900000000, -0.0000256800000000, -0.0003101300000000 ] - [ 0.0953658700000000, -0.0712235900000000, -0.0008818300000000 ] - [ -0.0016361200000000, 0.0003565500000000, 0.0000719200000000 ] - [ 0.0002057700000000, 0.0006198600000000, -0.0001074600000000 ] - [ 0.0000673300000000, 0.0006354500000000, -0.0000662400000000 ] - [ 0.0033537000000000, -0.0002981500000000, 0.0019701100000000 ] - [ -0.0018980700000000, -0.0009730100000000, 0.0004941000000000 ] - [ -0.0000619000000000, 0.0002049200000000, -0.0001408400000000 ] - [ -0.0002089300000000, 0.0001602000000000, -0.0001194500000000 ] - [ 0.0006941600000000, 0.0002079600000000, -0.0002111500000000 ] - [ -0.0017750600000000, 0.0017076700000000, 0.0000018000000000 ] - [ 0.0005589200000000, 0.0002206800000000, -0.0004938500000000 ] - [ -0.0006397900000000, 0.0002077700000000, -0.0002676000000000 ] - [ 0.0068390100000000, -0.0029702800000000, 0.0101963900000000 ] - [ -0.0027982600000000, -0.0003784300000000, 0.0001869000000000 ] - [ 0.0000784900000000, 0.0003401500000000, 0.0001450600000000 ] - [ -0.0001043400000000, 0.0003268100000000, 0.0001576400000000 ] - [ 0.0030187500000000, 0.0001722600000000, -0.0007396900000000 ] - [ -0.0015254300000000, -0.0005440600000000, 0.0003697100000000 ] - [ 0.0001826000000000, 0.0002959000000000, 0.0001031400000000 ] - [ -0.0000204200000000, 0.0002942200000000, 0.0001368900000000 ] - [ 0.0024735500000000, 0.0004438800000000, 0.0029801100000000 ] - [ -0.0010400700000000, -0.0005389700000000, -0.0003484700000000 ] - [ 0.0001596000000000, -0.0000984400000000, -0.0001895900000000 ] - [ -0.0002266400000000, 0.0001248900000000, -0.0001103400000000 ] - [ 0.0044070400000000, -0.0085534900000000, 0.0026592000000000 ] - [ -0.0023632500000000, -0.0005559500000000, -0.0008763300000000 ] - [ 0.0004447800000000, 0.0004305400000000, -0.0000810100000000 ] - [ 0.0000872700000000, 0.0002983200000000, -0.0001410500000000 ] - [ 0.0003892600000000, -0.0005583000000000, 0.0005585200000000 ] - [ -0.0009744600000000, -0.0002403000000000, -0.0001033400000000 ] - [ -0.0001738100000000, -0.0000717800000000, 0.0000881800000000 ] - [ -0.0004038000000000, -0.0001047500000000, -0.0000424600000000 ] - [ 0.0005545500000000, 0.0003735300000000, 0.0001413300000000 ] - [ 0.0001421400000000, 0.0003870300000000, -0.0000808500000000 ] - [ 0.0006657500000000, 0.0007301200000000, 0.0003751000000000 ] - [ -0.0001488300000000, -0.0001784900000000, 0.0000402200000000 ] - [ 0.0003862100000000, -0.0003522400000000, 0.0000649100000000 ] - [ -0.0001507300000000, 0.0010143000000000, -0.0001944900000000 ] - [ 0.0005965400000000, 0.0012701300000000, -0.0002152900000000 ] - [ -0.0003535800000000, 0.0001047700000000, 0.0000352900000000 ] - [ -0.0005765600000000, -0.0008494200000000, -0.0029756900000000 ] - [ -0.0030591500000000, -0.0007874600000000, 0.0011371200000000 ] - [ -0.0001143000000000, 0.0005700600000000, 0.0002202900000000 ] - [ -0.0001326900000000, 0.0006401900000000, 0.0002220800000000 ] - [ 0.0002347200000000, -0.0002674000000000, 0.0003744800000000 ] - [ -0.0005602200000000, -0.0000269800000000, -0.0002247000000000 ] - [ -0.0003285200000000, 0.0004868100000000, 0.0001583300000000 ] - [ -0.0003089100000000, 0.0004214000000000, 0.0001492200000000 ] - [ 0.0002028600000000, -0.0006581800000000, 0.0009119600000000 ] - [ 0.0002059200000000, -0.0008207100000000, 0.0003251200000000 ] - [ 0.0003144100000000, -0.0001810400000000, 0.0000967300000000 ] - [ 0.0003153200000000, -0.0000275900000000, 0.0000995500000000 ] - [ -0.0042649000000000, 0.0034333700000000, -0.0033658800000000 ] - [ -0.0010886500000000, -0.0038277200000000, 0.0012124400000000 ] - [ -0.0002707200000000, 0.0001840300000000, 0.0000283900000000 ] - [ -0.0003869600000000, 0.0006810300000000, 0.0000353200000000 ] - [ -0.0001792800000000, -0.0010157300000000, -0.0001111800000000 ] - [ -0.0010201300000000, 0.0009873300000000, 0.0015257000000000 ] - [ 0.0000244500000000, 0.0001595400000000, 0.0001400500000000 ] - [ 0.0000642700000000, -0.0000249700000000, 0.0001718600000000 ] - [ -0.0051422500000000, 0.0042989600000000, 0.0059383900000000 ] - [ 0.0001648300000000, -0.0013073700000000, -0.0005943200000000 ] - [ -0.0001023100000000, 0.0000965600000000, -0.0001343000000000 ] - [ -0.0000162600000000, 0.0003288400000000, -0.0001508200000000 ] - [ -0.0004507700000000, -0.0001678000000000, -0.0002244200000000 ] - [ 0.0004344100000000, 0.0009200800000000, 0.0001922100000000 ] - [ -0.0002284000000000, 0.0007871900000000, -0.0007103300000000 ] - [ 0.0004084600000000, -0.0006389800000000, 0.0001599900000000 ] - [ -0.0043917000000000, -0.0023273600000000, 0.0020356600000000 ] - [ -0.0046068700000000, 0.0017787000000000, -0.0095712100000000 ] - [ 0.0000621900000000, 0.0005767500000000, 0.0001442800000000 ] - [ 0.0001287900000000, 0.0005328800000000, 0.0001532400000000 ] - [ -0.0000151900000000, -0.0000647700000000, 0.0003073900000000 ] - [ 0.0001709800000000, 0.0003186800000000, 0.0001290000000000 ] - [ -0.0001905100000000, 0.0010189200000000, 0.0008985100000000 ] - [ 0.0005490600000000, -0.0003711200000000, 0.0001868700000000 ] - [ -0.0006128100000000, 0.0000098300000000, -0.0000416600000000 ] - [ 0.0007042700000000, 0.0020543600000000, -0.0003740500000000 ] - [ -0.0006088800000000, 0.0011453700000000, 0.0000302700000000 ] - [ 0.0006994200000000, 0.0003121400000000, -0.0004389900000000 ] - [ -0.0020764500000000, -0.0013625800000000, 0.0001197300000000 ] - [ -0.0149170800000000, 0.0216931400000000, 0.0027540900000000 ] - [ 0.0000808400000000, 0.0001766300000000, 0.0000697800000000 ] - [ 0.0002158700000000, -0.0000029400000000, 0.0000671900000000 ] - [ -0.0010589400000000, -0.0012601800000000, 0.0002530200000000 ] - [ 0.0013707500000000, 0.0030120400000000, -0.0026698300000000 ] - [ 0.0000519800000000, 0.0003642600000000, 0.0000892800000000 ] - [ 0.0002633700000000, 0.0001521600000000, 0.0001039000000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014919800000000, -0.0037446300000000, 0.0014049000000000 ] - [ -0.0002884600000000, -0.0007564200000000, 0.0001206800000000 ] - [ -0.0015698800000000, -0.0029176700000000, -0.0032110300000000 ] - [ 0.0013729800000000, -0.0017829800000000, -0.0001995800000000 ] - [ 0.0002110200000000, -0.0003665100000000, -0.0008654000000000 ] - [ -0.0001922500000000, 0.0002365100000000, -0.0004771600000000 ] - [ -0.0002892600000000, -0.0017145500000000, 0.0003440100000000 ] - [ 0.0005386300000000, -0.0011477200000000, -0.0002995300000000 ] - [ -0.0031818800000000, 0.0122656000000000, 0.0001002900000000 ] - [ -0.0008339100000000, 0.0037779000000000, -0.0019491500000000 ] - [ -0.0001560100000000, -0.0019976000000000, -0.0000571000000000 ] - [ 0.0002176900000000, -0.0017046900000000, 0.0000422700000000 ] - [ 0.0019604700000000, 0.0002201700000000, 0.0030534800000000 ] - [ -0.0008470000000000, 0.0018451800000000, 0.0010547800000000 ] - [ -0.0002160800000000, -0.0014402300000000, -0.0003482700000000 ] - [ 0.0000795200000000, -0.0012896100000000, -0.0004601300000000 ] - [ -0.0034514300000000, 0.0025372300000000, 0.0050684700000000 ] - [ 0.0018183500000000, 0.0012767600000000, 0.0016594700000000 ] - [ 0.0001759300000000, -0.0015618700000000, 0.0000595100000000 ] - [ -0.0001209100000000, -0.0010783700000000, 0.0000049400000000 ] - [ -0.0053140300000000, -0.0022833200000000, -0.0056943000000000 ] - [ 0.0047968100000000, -0.0036931700000000, -0.0022105600000000 ] - [ 0.0005529600000000, -0.0022152700000000, 0.0003709100000000 ] - [ -0.0007014700000000, -0.0017418600000000, 0.0005334700000000 ] - [ 0.0010428600000000, 0.0032077500000000, -0.0007748400000000 ] - [ -0.0002996700000000, 0.0041781600000000, 0.0002599900000000 ] - [ -0.0000601900000000, -0.0016157600000000, 0.0002772200000000 ] - [ 0.0000189800000000, -0.0017875100000000, 0.0003323900000000 ] - [ 0.0009130300000000, 0.0029606900000000, 0.0001662800000000 ] - [ -0.0063029800000000, 0.0152048400000000, 0.0051168100000000 ] - [ -0.0000105600000000, -0.0018379400000000, 0.0002763200000000 ] - [ -0.0000792600000000, -0.0019879400000000, 0.0002854900000000 ] - [ -0.0392018400000000, 0.0976102400000000, -0.0519045100000000 ] - [ 0.0014887100000000, 0.0042085100000000, 0.0014051300000000 ] - [ -0.0000966900000000, -0.0025622000000000, 0.0001207500000000 ] - [ 0.0000571100000000, -0.0021490900000000, 0.0000906500000000 ] - [ -0.0016726100000000, 0.0049820400000000, 0.0002646000000000 ] - [ 0.0009697400000000, 0.0025491600000000, -0.0004735900000000 ] - [ 0.0000105200000000, -0.0019485000000000, 0.0001304900000000 ] - [ -0.0001251000000000, -0.0017600100000000, 0.0002225900000000 ] - [ -0.0007428800000000, -0.0019493300000000, 0.0005525500000000 ] - [ 0.0005688000000000, -0.0011392400000000, -0.0000101100000000 ] - [ -0.0006292600000000, -0.0014364000000000, -0.0028362300000000 ] - [ -0.0003618900000000, 0.0006555900000000, -0.0004648300000000 ] - [ 0.0028985800000000, -0.0015294900000000, 0.0009795000000000 ] - [ -0.0057238600000000, -0.0070602600000000, 0.0055959400000000 ] - [ 0.0000343800000000, -0.0022081600000000, -0.0000152400000000 ] - [ 0.0001418200000000, -0.0031519800000000, -0.0011106100000000 ] - [ 0.0018302200000000, 0.0017770500000000, -0.0063180000000000 ] - [ -0.0009860900000000, -0.0014108800000000, -0.0008834800000000 ] - [ -0.0001505100000000, 0.0010118300000000, 0.0000759200000000 ] - [ -0.0001613300000000, 0.0009712600000000, -0.0000081100000000 ] - [ 0.0020567900000000, 0.0141544300000000, 0.0007085500000000 ] - [ -0.0010182800000000, -0.0005752000000000, 0.0002751100000000 ] - [ 0.0001640400000000, 0.0010971900000000, -0.0000652900000000 ] - [ 0.0000962000000000, 0.0005486800000000, -0.0003501100000000 ] - [ 0.0723384600000000, -0.1497779200000000, 0.0553526500000000 ] - [ 0.0002087200000000, -0.0011732500000000, -0.0000515800000000 ] - [ -0.0000605500000000, 0.0012933700000000, -0.0000906300000000 ] - [ -0.0000755000000000, 0.0011510000000000, -0.0000726500000000 ] - [ -0.0000328400000000, -0.0015619300000000, 0.0000790700000000 ] - [ -0.0008520600000000, -0.0012464100000000, 0.0003504100000000 ] - [ 0.0000444100000000, 0.0007393900000000, -0.0002905200000000 ] - [ -0.0000196600000000, 0.0006269800000000, -0.0002605700000000 ] - [ -0.0001437500000000, 0.0012735400000000, 0.0004923700000000 ] - [ -0.0012251800000000, 0.0015750600000000, 0.0001444700000000 ] - [ -0.0004156300000000, 0.0017852100000000, -0.0015412200000000 ] - [ -0.0001672500000000, 0.0003919500000000, -0.0003632500000000 ] - [ -0.0002342800000000, -0.0078610900000000, -0.0017401300000000 ] - [ -0.0009162600000000, -0.0015876000000000, 0.0000578000000000 ] - [ 0.0000422800000000, 0.0010566600000000, 0.0002458900000000 ] - [ 0.0000182100000000, 0.0008849000000000, 0.0002126400000000 ] - [ 0.0005590300000000, -0.0008357300000000, 0.0035127200000000 ] - [ -0.0006133500000000, -0.0011705800000000, 0.0007104300000000 ] - [ 0.0001197700000000, 0.0010462900000000, -0.0000182900000000 ] - [ 0.0002023200000000, 0.0008713000000000, -0.0000269400000000 ] - [ 0.0015524000000000, -0.0004452300000000, 0.0026011800000000 ] - [ -0.0000925500000000, -0.0007982500000000, -0.0000434200000000 ] - [ -0.0002153200000000, 0.0009699300000000, -0.0001901700000000 ] - [ -0.0002460700000000, 0.0004388700000000, -0.0001485200000000 ] - [ 0.0048135500000000, 0.0142099600000000, -0.0084611800000000 ] - [ -0.0013642800000000, -0.0008441100000000, -0.0010678700000000 ] - [ 0.0004529500000000, 0.0011388800000000, 0.0001307500000000 ] - [ 0.0004298500000000, 0.0008169000000000, 0.0001157100000000 ] - [ -0.0000053200000000, -0.0009162700000000, -0.0000713300000000 ] - [ -0.0003176500000000, -0.0007942800000000, -0.0001944200000000 ] - [ -0.0004920700000000, 0.0004633800000000, 0.0000069000000000 ] - [ -0.0004586900000000, 0.0002952800000000, -0.0000317600000000 ] - [ 0.0003820900000000, 0.0007185100000000, -0.0004112200000000 ] - [ 0.0002824600000000, 0.0005011300000000, -0.0000803100000000 ] - [ 0.0001882300000000, 0.0006491400000000, -0.0001197700000000 ] - [ 0.0001849700000000, 0.0001837100000000, -0.0002019400000000 ] - [ 0.0008922600000000, 0.0019066500000000, -0.0016772900000000 ] - [ -0.0000657700000000, 0.0005412900000000, -0.0003316900000000 ] - [ -0.0000213100000000, 0.0013691900000000, 0.0001517700000000 ] - [ 0.0000229100000000, 0.0005425500000000, -0.0000106000000000 ] - [ -0.0007431100000000, -0.0027674500000000, -0.0015532000000000 ] - [ -0.0013491300000000, -0.0016639700000000, 0.0001311200000000 ] - [ -0.0001210400000000, 0.0013447300000000, 0.0003081500000000 ] - [ -0.0000935300000000, 0.0013069100000000, 0.0002990900000000 ] - [ 0.0006552100000000, -0.0016738100000000, -0.0007030000000000 ] - [ -0.0001303600000000, -0.0008429400000000, -0.0000784000000000 ] - [ -0.0005385100000000, 0.0009919500000000, 0.0001306800000000 ] - [ -0.0004955300000000, 0.0009364000000000, 0.0000840800000000 ] - [ -0.0002621100000000, -0.0012741700000000, 0.0004859300000000 ] - [ -0.0000960800000000, -0.0012722500000000, -0.0001963700000000 ] - [ 0.0005356700000000, 0.0003336500000000, 0.0000580200000000 ] - [ 0.0003824200000000, 0.0003334200000000, 0.0000213000000000 ] - [ -0.0039865900000000, 0.0021013400000000, -0.0026729000000000 ] - [ 0.0034324400000000, 0.0005020500000000, -0.0004947600000000 ] - [ -0.0003314300000000, 0.0007973700000000, -0.0000090600000000 ] - [ -0.0006274900000000, 0.0010947300000000, 0.0000553500000000 ] - [ 0.0004791800000000, -0.0015943300000000, 0.0007574300000000 ] - [ -0.0000773200000000, -0.0017672300000000, 0.0013257600000000 ] - [ 0.0000664900000000, 0.0006507400000000, 0.0000510300000000 ] - [ 0.0002624600000000, 0.0007253800000000, 0.0000345500000000 ] - [ -0.0043560800000000, 0.0039615300000000, 0.0054096500000000 ] - [ 0.0006648800000000, -0.0008913400000000, 0.0004630000000000 ] - [ 0.0001624700000000, 0.0008716800000000, -0.0000826800000000 ] - [ -0.0005002400000000, 0.0010223000000000, -0.0002732800000000 ] - [ 0.0001548400000000, 0.0008436200000000, 0.0002701700000000 ] - [ -0.0000392200000000, 0.0008861300000000, 0.0003863800000000 ] - [ -0.0004046100000000, 0.0007994500000000, -0.0005991600000000 ] - [ 0.0007712000000000, 0.0008161300000000, -0.0007524400000000 ] - [ -0.0021682600000000, -0.0037561600000000, 0.0006642300000000 ] - [ 0.0001824100000000, -0.0051011500000000, -0.0000011300000000 ] - [ 0.0002452100000000, 0.0011906200000000, 0.0001894800000000 ] - [ 0.0002885600000000, 0.0012159800000000, 0.0002258000000000 ] - [ 0.0006569400000000, 0.0000830900000000, -0.0000945800000000 ] - [ -0.0003080300000000, 0.0004247200000000, -0.0000850500000000 ] - [ -0.0002507700000000, 0.0009505400000000, 0.0008850600000000 ] - [ 0.0007362500000000, -0.0000698700000000, 0.0005700800000000 ] - [ 0.0005917300000000, 0.0011736800000000, 0.0000218700000000 ] - [ -0.0002481700000000, 0.0020196300000000, 0.0002378700000000 ] - [ -0.0005487800000000, 0.0011705800000000, 0.0000346500000000 ] - [ 0.0014884400000000, 0.0020196700000000, -0.0002230300000000 ] - [ 0.0016032800000000, -0.0019342800000000, 0.0000357900000000 ] - [ -0.0184836300000000, 0.0109678600000000, 0.0027012900000000 ] - [ -0.0001741100000000, 0.0006787300000000, 0.0001671600000000 ] - [ -0.0000319600000000, 0.0007450500000000, 0.0000729900000000 ] - [ 0.0004763500000000, -0.0013568100000000, 0.0001377100000000 ] - [ -0.0033015000000000, 0.0028717100000000, -0.0051813100000000 ] - [ 0.0000981700000000, 0.0008115500000000, 0.0000632100000000 ] - [ 0.0003108700000000, 0.0011640700000000, 0.0000876300000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013836100000000, 0.0032666300000000, -0.0018083200000000 ] - [ 0.0003749300000000, 0.0002889200000000, -0.0005333000000000 ] - [ 0.0016716000000000, 0.0024506300000000, 0.0028117300000000 ] - [ -0.0012870900000000, 0.0013129400000000, -0.0002140200000000 ] - [ -0.0002404700000000, 0.0003232700000000, 0.0004816900000000 ] - [ 0.0001594900000000, -0.0002893100000000, 0.0000915600000000 ] - [ 0.0002620100000000, 0.0016503800000000, -0.0007306500000000 ] - [ -0.0005715200000000, 0.0010832800000000, -0.0000865100000000 ] - [ 0.0036727700000000, -0.0124206200000000, -0.0008267900000000 ] - [ 0.0008406400000000, -0.0037372900000000, 0.0015699100000000 ] - [ 0.0001851700000000, 0.0020576200000000, -0.0003287800000000 ] - [ -0.0001867400000000, 0.0017669000000000, -0.0004275100000000 ] - [ -0.0020499900000000, 0.0002429300000000, -0.0034904700000000 ] - [ 0.0007497400000000, -0.0013945500000000, -0.0014705600000000 ] - [ 0.0001247100000000, 0.0019101300000000, -0.0000679800000000 ] - [ -0.0001700600000000, 0.0017606000000000, 0.0000433900000000 ] - [ 0.0035485100000000, -0.0020241500000000, -0.0046115300000000 ] - [ -0.0017355900000000, -0.0007813500000000, -0.0012397200000000 ] - [ -0.0000847800000000, 0.0020324800000000, 0.0003571700000000 ] - [ 0.0002135500000000, 0.0015467100000000, 0.0004115900000000 ] - [ 0.0052619700000000, 0.0023588500000000, 0.0060221100000000 ] - [ -0.0048151900000000, 0.0037502500000000, 0.0025845900000000 ] - [ -0.0005842800000000, 0.0022803400000000, 0.0000116400000000 ] - [ 0.0006725800000000, 0.0018022000000000, -0.0001505100000000 ] - [ -0.0010188100000000, -0.0032789400000000, 0.0011691900000000 ] - [ 0.0003255300000000, -0.0042745500000000, 0.0001185400000000 ] - [ 0.0000895000000000, 0.0015533700000000, 0.0001094600000000 ] - [ 0.0000127700000000, 0.0017249600000000, 0.0000548900000000 ] - [ -0.0010033700000000, -0.0034335100000000, 0.0002428500000000 ] - [ 0.0062404500000000, -0.0157696200000000, -0.0048386100000000 ] - [ -0.0000810500000000, 0.0013679000000000, 0.0001385500000000 ] - [ -0.0000111800000000, 0.0015176700000000, 0.0001289800000000 ] - [ 0.0370051400000000, -0.0947221300000000, 0.0487078400000000 ] - [ -0.0014359600000000, -0.0044465900000000, -0.0011307800000000 ] - [ 0.0001582700000000, 0.0023164100000000, 0.0001552500000000 ] - [ 0.0000016400000000, 0.0019023400000000, 0.0001855900000000 ] - [ 0.0016436800000000, -0.0047141400000000, 0.0000241200000000 ] - [ -0.0010536500000000, -0.0022769800000000, 0.0007619300000000 ] - [ -0.0000697300000000, 0.0021948300000000, 0.0001454900000000 ] - [ 0.0000657100000000, 0.0020058700000000, 0.0000533500000000 ] - [ 0.0008000300000000, 0.0021955600000000, -0.0008230900000000 ] - [ -0.0005078000000000, 0.0013922900000000, -0.0002647300000000 ] - [ 0.0006928000000000, 0.0016812200000000, 0.0025722700000000 ] - [ 0.0004197700000000, -0.0004217200000000, 0.0001915900000000 ] - [ -0.0029745400000000, 0.0012866600000000, -0.0012640700000000 ] - [ 0.0056970800000000, 0.0067995000000000, -0.0059074200000000 ] - [ -0.0000977800000000, 0.0019605300000000, -0.0002647300000000 ] - [ -0.0001970400000000, 0.0029021700000000, 0.0008279500000000 ] - [ -0.0021251600000000, -0.0022265700000000, 0.0060735400000000 ] - [ 0.0007297600000000, 0.0009808300000000, 0.0005718800000000 ] - [ -0.0001141500000000, -0.0014481500000000, -0.0003929500000000 ] - [ -0.0001018200000000, -0.0014081500000000, -0.0003094200000000 ] - [ -0.0025420400000000, -0.0147644800000000, -0.0009706900000000 ] - [ 0.0005671700000000, 0.0001997900000000, -0.0005142500000000 ] - [ -0.0006255400000000, -0.0014733800000000, -0.0001692600000000 ] - [ -0.0005553800000000, -0.0009275300000000, 0.0001141100000000 ] - [ -0.0699424900000000, 0.1475406700000000, -0.0515013900000000 ] - [ 0.0002366600000000, 0.0018526300000000, -0.0000336500000000 ] - [ 0.0005027500000000, -0.0006127600000000, 0.0000049100000000 ] - [ 0.0005185500000000, -0.0004706900000000, -0.0000135900000000 ] - [ -0.0003999300000000, 0.0014223400000000, -0.0003183700000000 ] - [ 0.0004537700000000, 0.0011048200000000, -0.0005757400000000 ] - [ -0.0004525300000000, -0.0008818300000000, 0.0000707200000000 ] - [ -0.0003877000000000, -0.0007688600000000, 0.0000407800000000 ] - [ 0.0001181100000000, -0.0008381300000000, -0.0007933200000000 ] - [ 0.0011989500000000, -0.0011388300000000, -0.0004492700000000 ] - [ 0.0003884200000000, -0.0013472800000000, 0.0012429900000000 ] - [ 0.0001447700000000, 0.0000465900000000, 0.0000570200000000 ] - [ 0.0001455000000000, 0.0077855600000000, 0.0020784600000000 ] - [ 0.0008440000000000, 0.0015860200000000, 0.0002152400000000 ] - [ -0.0001249200000000, -0.0010550000000000, 0.0000282400000000 ] - [ -0.0001003300000000, -0.0008827400000000, 0.0000619500000000 ] - [ -0.0004938900000000, 0.0008015400000000, -0.0032306900000000 ] - [ 0.0006994700000000, 0.0011615500000000, -0.0004321000000000 ] - [ -0.0000371200000000, -0.0010479300000000, 0.0002933800000000 ] - [ -0.0001191800000000, -0.0008729200000000, 0.0003022200000000 ] - [ -0.0015424600000000, 0.0000134900000000, -0.0029232700000000 ] - [ 0.0001197300000000, 0.0003661000000000, -0.0002645900000000 ] - [ 0.0002382100000000, -0.0014031200000000, -0.0001178300000000 ] - [ 0.0002713200000000, -0.0008759100000000, -0.0001597500000000 ] - [ -0.0042480600000000, -0.0137010200000000, 0.0080734600000000 ] - [ 0.0017696700000000, 0.0009834900000000, 0.0008436200000000 ] - [ -0.0000444000000000, -0.0009968400000000, -0.0003503800000000 ] - [ -0.0000209600000000, -0.0006739100000000, -0.0003351200000000 ] - [ -0.0004414800000000, 0.0002276000000000, -0.0000191100000000 ] - [ -0.0001207200000000, 0.0001094900000000, 0.0001082900000000 ] - [ 0.0000491400000000, -0.0011438800000000, -0.0000941000000000 ] - [ 0.0000162000000000, -0.0009753200000000, -0.0000548300000000 ] - [ 0.0000749300000000, -0.0003426600000000, 0.0001702700000000 ] - [ 0.0001775900000000, -0.0001245800000000, -0.0001557400000000 ] - [ 0.0002733400000000, -0.0002682800000000, -0.0001165500000000 ] - [ 0.0002791200000000, 0.0001999200000000, -0.0000343400000000 ] - [ -0.0006248400000000, -0.0014656700000000, 0.0013500600000000 ] - [ 0.0003316300000000, -0.0001114100000000, 0.0000135800000000 ] - [ 0.0002865300000000, -0.0009316600000000, -0.0004724700000000 ] - [ 0.0002429100000000, -0.0001026900000000, -0.0003085400000000 ] - [ 0.0004653500000000, 0.0032147200000000, 0.0018661400000000 ] - [ 0.0011467000000000, 0.0021128100000000, 0.0001815500000000 ] - [ -0.0001432800000000, -0.0009074000000000, 0.0000102500000000 ] - [ -0.0001707900000000, -0.0008697900000000, 0.0000193500000000 ] - [ -0.0011217900000000, 0.0020463000000000, 0.0009323600000000 ] - [ -0.0003232600000000, 0.0012161400000000, 0.0003152100000000 ] - [ 0.0000778300000000, -0.0006126200000000, 0.0001047700000000 ] - [ 0.0000343500000000, -0.0005563600000000, 0.0001513900000000 ] - [ 0.0007062300000000, 0.0005991300000000, -0.0004028900000000 ] - [ 0.0005441000000000, 0.0006009900000000, 0.0002821200000000 ] - [ -0.0000926100000000, -0.0010144900000000, 0.0000281000000000 ] - [ 0.0000601400000000, -0.0010147700000000, 0.0000649500000000 ] - [ 0.0036015400000000, -0.0019706700000000, 0.0029138300000000 ] - [ -0.0038545600000000, -0.0003463800000000, 0.0007169200000000 ] - [ -0.0000758100000000, -0.0006544600000000, 0.0002295700000000 ] - [ 0.0002189100000000, -0.0009517000000000, 0.0001652800000000 ] - [ -0.0005079800000000, 0.0011504700000000, -0.0004448300000000 ] - [ 0.0000642900000000, 0.0013052000000000, -0.0010090400000000 ] - [ -0.0000906500000000, -0.0010866200000000, 0.0002572900000000 ] - [ -0.0002870500000000, -0.0011606200000000, 0.0002736400000000 ] - [ 0.0042900900000000, -0.0039916100000000, -0.0057053400000000 ] - [ -0.0007475100000000, 0.0009008200000000, -0.0007385900000000 ] - [ -0.0002427000000000, -0.0008725500000000, -0.0001919700000000 ] - [ 0.0004157400000000, -0.0010234100000000, -0.0000024900000000 ] - [ -0.0000700300000000, -0.0008413200000000, -0.0005413300000000 ] - [ 0.0001222600000000, -0.0008865300000000, -0.0006567400000000 ] - [ 0.0004879700000000, -0.0007981300000000, 0.0003279200000000 ] - [ -0.0006910800000000, -0.0008086500000000, 0.0004781800000000 ] - [ 0.0021971700000000, 0.0042040800000000, -0.0003575100000000 ] - [ -0.0001361300000000, 0.0054831600000000, 0.0003400700000000 ] - [ -0.0002196500000000, -0.0007542300000000, 0.0001178600000000 ] - [ -0.0002642400000000, -0.0007801000000000, 0.0000813600000000 ] - [ -0.0002438000000000, -0.0002293600000000, 0.0003110200000000 ] - [ 0.0007167000000000, -0.0005711900000000, 0.0003008100000000 ] - [ 0.0006605500000000, -0.0010944200000000, -0.0006686400000000 ] - [ -0.0003317100000000, -0.0000688400000000, -0.0003531900000000 ] - [ -0.0010284900000000, -0.0004900100000000, 0.0000671000000000 ] - [ -0.0001975500000000, -0.0013399600000000, -0.0001502500000000 ] - [ 0.0001087400000000, -0.0004931400000000, 0.0000507500000000 ] - [ -0.0019398400000000, -0.0013398900000000, 0.0003125900000000 ] - [ -0.0011428700000000, 0.0015466800000000, 0.0002052800000000 ] - [ 0.0185657100000000, -0.0112073800000000, -0.0023718900000000 ] - [ 0.0006350500000000, -0.0010579700000000, 0.0000686400000000 ] - [ 0.0004917700000000, -0.0011240300000000, 0.0001632300000000 ] - [ -0.0002093200000000, 0.0009183100000000, 0.0001782800000000 ] - [ 0.0035592900000000, -0.0033316800000000, 0.0054980800000000 ] - [ 0.0001669500000000, -0.0012481000000000, 0.0002545400000000 ] - [ -0.0000476100000000, -0.0016016200000000, 0.0002297500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007254100000000, 0.0016829200000000, -0.0003301700000000 ] - [ 0.0003034000000000, 0.0003393400000000, -0.0000014900000000 ] - [ -0.0005261600000000, -0.0013107700000000, 0.0002848500000000 ] - [ 0.0007328800000000, -0.0011644700000000, 0.0002746400000000 ] - [ -0.0002369800000000, -0.0026036100000000, -0.0023691300000000 ] - [ 0.0001346200000000, -0.0009479400000000, -0.0010376800000000 ] - [ -0.0002601900000000, 0.0006268900000000, -0.0011543100000000 ] - [ 0.0001436300000000, 0.0000826500000000, -0.0006986400000000 ] - [ -0.0072955100000000, 0.0040767700000000, 0.0172305900000000 ] - [ -0.0019515300000000, -0.0028735800000000, 0.0031897300000000 ] - [ 0.0000249300000000, 0.0002313100000000, 0.0000150600000000 ] - [ 0.0000056900000000, 0.0000957000000000, -0.0000084000000000 ] - [ -0.0035124700000000, 0.0038573800000000, -0.0028164600000000 ] - [ 0.0014982100000000, 0.0028006200000000, -0.0014005700000000 ] - [ -0.0001371800000000, 0.0001069500000000, -0.0003066000000000 ] - [ 0.0000368400000000, -0.0000098800000000, -0.0002977300000000 ] - [ 0.0055709300000000, 0.0062515400000000, -0.0031391000000000 ] - [ -0.0019592800000000, 0.0025132600000000, -0.0014679500000000 ] - [ 0.0000317100000000, -0.0001329000000000, 0.0001557100000000 ] - [ 0.0000575100000000, 0.0001095000000000, 0.0001699600000000 ] - [ -0.0011129100000000, -0.0026841700000000, 0.0045706000000000 ] - [ 0.0011266100000000, -0.0015830300000000, 0.0016221200000000 ] - [ -0.0003773200000000, 0.0004336400000000, 0.0006310300000000 ] - [ 0.0002306200000000, 0.0006018000000000, 0.0006029000000000 ] - [ 0.0010576500000000, 0.0003257100000000, -0.0021996800000000 ] - [ -0.0043451400000000, -0.0036646100000000, -0.0095650200000000 ] - [ 0.0000703700000000, 0.0000875200000000, 0.0000535000000000 ] - [ -0.0000901800000000, 0.0001228400000000, 0.0000126000000000 ] - [ -0.0009340700000000, -0.0003551300000000, 0.0015173000000000 ] - [ -0.0079236500000000, 0.0046900300000000, 0.0307887700000000 ] - [ -0.0000229500000000, -0.0002134400000000, 0.0002346600000000 ] - [ -0.0000757900000000, -0.0001861700000000, 0.0002481200000000 ] - [ 0.0248984200000000, -0.0499272800000000, 0.0824791600000000 ] - [ 0.0015190900000000, 0.0010781600000000, 0.0033634700000000 ] - [ -0.0000516200000000, -0.0000840400000000, 0.0003997300000000 ] - [ 0.0001193900000000, -0.0001490500000000, 0.0003988400000000 ] - [ -0.0043519800000000, -0.0018327000000000, -0.0086531900000000 ] - [ 0.0032324900000000, -0.0023454500000000, -0.0061127300000000 ] - [ -0.0001159800000000, 0.0002310500000000, -0.0001020100000000 ] - [ 0.0000862400000000, 0.0002376300000000, -0.0000832600000000 ] - [ 0.0002612400000000, 0.0009146600000000, -0.0013021700000000 ] - [ 0.0000739800000000, 0.0002331100000000, -0.0008609000000000 ] - [ 0.0000304500000000, -0.0019806100000000, -0.0036441000000000 ] - [ -0.0003342300000000, -0.0005115600000000, -0.0016110100000000 ] - [ 0.0003133700000000, 0.0000715200000000, 0.0011708900000000 ] - [ 0.0006140700000000, 0.0064592200000000, 0.0057526000000000 ] - [ 0.0002321600000000, -0.0002558200000000, 0.0003683400000000 ] - [ -0.0002849800000000, -0.0005287900000000, 0.0007425700000000 ] - [ -0.0009710000000000, -0.0103192500000000, 0.0030009200000000 ] - [ -0.0006557300000000, -0.0007986400000000, -0.0006841700000000 ] - [ -0.0000641000000000, -0.0000465000000000, -0.0001848200000000 ] - [ -0.0001874400000000, -0.0001027400000000, -0.0001827800000000 ] - [ 0.0018204100000000, 0.0020583400000000, -0.0047037600000000 ] - [ 0.0000551700000000, 0.0000910200000000, -0.0010076200000000 ] - [ -0.0000842600000000, -0.0003236900000000, -0.0005755500000000 ] - [ -0.0002626900000000, -0.0002170900000000, -0.0003370000000000 ] - [ 0.0025309900000000, 0.0522411300000000, -0.1624200600000000 ] - [ 0.0001067800000000, 0.0003338400000000, -0.0015792700000000 ] - [ 0.0002860100000000, 0.0002917700000000, -0.0001380700000000 ] - [ 0.0002448500000000, 0.0003098100000000, -0.0001067300000000 ] - [ 0.0021839300000000, -0.0010135700000000, 0.0067521900000000 ] - [ -0.0016685400000000, -0.0003341600000000, 0.0017553400000000 ] - [ -0.0002083300000000, -0.0001145200000000, -0.0000058600000000 ] - [ -0.0002454900000000, -0.0000987600000000, -0.0000261900000000 ] - [ 0.0000299100000000, 0.0007367200000000, -0.0006972900000000 ] - [ -0.0004187600000000, 0.0006872400000000, -0.0003008900000000 ] - [ 0.0006768500000000, -0.0013575200000000, -0.0007533900000000 ] - [ -0.0002558700000000, -0.0000588000000000, -0.0003637800000000 ] - [ -0.0031441200000000, -0.0102322200000000, 0.0306293800000000 ] - [ 0.0004076700000000, -0.0000084600000000, 0.0000478500000000 ] - [ 0.0000022900000000, -0.0000160100000000, 0.0000948600000000 ] - [ -0.0000641700000000, 0.0000021300000000, 0.0001074300000000 ] - [ 0.0039726700000000, 0.0061069500000000, 0.0052698300000000 ] - [ -0.0008986700000000, 0.0008302000000000, 0.0002168700000000 ] - [ 0.0001019100000000, -0.0001748500000000, 0.0002299500000000 ] - [ -0.0000178200000000, -0.0000574700000000, 0.0002057900000000 ] - [ -0.0001616700000000, 0.0021801700000000, 0.0016470300000000 ] - [ -0.0001539000000000, 0.0000106700000000, 0.0001955200000000 ] - [ 0.0000723300000000, -0.0006219400000000, 0.0000092000000000 ] - [ 0.0000213500000000, -0.0003507200000000, -0.0000546700000000 ] - [ -0.0008057000000000, -0.0056530700000000, -0.0048111400000000 ] - [ -0.0003711000000000, -0.0003397600000000, -0.0012588500000000 ] - [ 0.0002139600000000, 0.0000706400000000, -0.0003228500000000 ] - [ 0.0000876400000000, 0.0000456200000000, -0.0003187300000000 ] - [ 0.0003805500000000, -0.0003057200000000, 0.0037924600000000 ] - [ -0.0002844700000000, -0.0001853200000000, 0.0013165700000000 ] - [ -0.0000887400000000, -0.0003919300000000, 0.0001610900000000 ] - [ -0.0002202400000000, -0.0003528000000000, 0.0000703000000000 ] - [ 0.0006838700000000, 0.0004478900000000, 0.0005235000000000 ] - [ 0.0003549500000000, 0.0003624900000000, 0.0002029900000000 ] - [ 0.0005410700000000, 0.0001954200000000, 0.0013431700000000 ] - [ 0.0001894600000000, 0.0000595500000000, 0.0005505200000000 ] - [ 0.0001464900000000, -0.0013399200000000, 0.0006193300000000 ] - [ 0.0001817400000000, -0.0004164900000000, 0.0000419900000000 ] - [ 0.0002308000000000, 0.0011429100000000, -0.0001521000000000 ] - [ 0.0001098000000000, 0.0005058200000000, -0.0000511100000000 ] - [ 0.0033247000000000, 0.0003206600000000, 0.0035082200000000 ] - [ -0.0105116000000000, -0.0013839300000000, 0.0022931200000000 ] - [ -0.0001103400000000, 0.0001929500000000, 0.0001810100000000 ] - [ -0.0001477900000000, 0.0002047700000000, 0.0001792800000000 ] - [ -0.0003153300000000, 0.0004944200000000, 0.0033396800000000 ] - [ 0.0009365300000000, -0.0003660900000000, 0.0034596100000000 ] - [ -0.0001957300000000, 0.0001747800000000, 0.0002351100000000 ] - [ -0.0001939300000000, 0.0001480100000000, 0.0002316600000000 ] - [ 0.0005045400000000, -0.0005821000000000, 0.0019880700000000 ] - [ 0.0010887100000000, 0.0000983500000000, 0.0019845200000000 ] - [ 0.0002777000000000, -0.0003615900000000, 0.0002117100000000 ] - [ 0.0002751100000000, -0.0003249700000000, 0.0002118400000000 ] - [ -0.0003658900000000, 0.0001011200000000, -0.0028279900000000 ] - [ -0.0021036500000000, -0.0013636000000000, -0.0018182000000000 ] - [ -0.0002425100000000, 0.0000862200000000, -0.0000187400000000 ] - [ -0.0002173000000000, 0.0001799400000000, -0.0000638500000000 ] - [ 0.0012993700000000, 0.0007651500000000, 0.0006065500000000 ] - [ -0.0026474400000000, 0.0035565600000000, 0.0013666500000000 ] - [ 0.0000000000000000, -0.0002720700000000, 0.0002456700000000 ] - [ -0.0000859800000000, -0.0004227400000000, 0.0002545500000000 ] - [ -0.0026705300000000, 0.0024626500000000, 0.0040038900000000 ] - [ 0.0004696300000000, 0.0010740900000000, 0.0002645000000000 ] - [ -0.0001471400000000, -0.0002490100000000, -0.0001149500000000 ] - [ 0.0001312300000000, -0.0002226400000000, -0.0000197400000000 ] - [ -0.0000444400000000, 0.0000859700000000, -0.0003181500000000 ] - [ 0.0001027200000000, 0.0005796800000000, -0.0004433500000000 ] - [ 0.0003527100000000, -0.0004024000000000, -0.0003667800000000 ] - [ -0.0004985000000000, -0.0014187000000000, -0.0001306200000000 ] - [ -0.0028023700000000, -0.0009385800000000, -0.0000646800000000 ] - [ 0.0080110800000000, -0.0019100600000000, 0.0029542100000000 ] - [ -0.0000266900000000, 0.0002117300000000, 0.0000949600000000 ] - [ 0.0000230700000000, 0.0002073000000000, 0.0000999500000000 ] - [ -0.0001552200000000, -0.0001759900000000, 0.0006966100000000 ] - [ 0.0000565000000000, 0.0000269200000000, 0.0010509800000000 ] - [ 0.0000573800000000, 0.0004859600000000, 0.0007861000000000 ] - [ 0.0001389000000000, 0.0001556400000000, 0.0005715000000000 ] - [ -0.0002094500000000, 0.0003474700000000, -0.0004628700000000 ] - [ 0.0002613400000000, 0.0006015000000000, -0.0007252600000000 ] - [ -0.0001375300000000, 0.0003618800000000, -0.0004644800000000 ] - [ 0.0001966000000000, 0.0001483100000000, -0.0007262900000000 ] - [ 0.0005378000000000, -0.0000716300000000, -0.0014653200000000 ] - [ -0.0073618600000000, 0.0080439400000000, -0.0076896500000000 ] - [ 0.0003317400000000, -0.0002729900000000, -0.0000315700000000 ] - [ 0.0003245500000000, -0.0003009400000000, -0.0000167100000000 ] - [ -0.0011690600000000, -0.0007484400000000, -0.0004499400000000 ] - [ 0.0031901700000000, -0.0056341800000000, 0.0023777300000000 ] - [ 0.0000977900000000, -0.0000236700000000, 0.0000662800000000 ] - [ 0.0001887500000000, -0.0000648300000000, 0.0000924300000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0008057600000000, -0.0021315200000000, -0.0001021300000000 ] - [ -0.0002104700000000, -0.0008080600000000, -0.0004185000000000 ] - [ 0.0006109700000000, 0.0008349500000000, -0.0007152100000000 ] - [ -0.0006339700000000, 0.0006894000000000, -0.0006865600000000 ] - [ 0.0002119400000000, 0.0025073100000000, 0.0019787000000000 ] - [ -0.0001649200000000, 0.0008720200000000, 0.0006531300000000 ] - [ 0.0002292200000000, -0.0006786300000000, 0.0007652500000000 ] - [ -0.0001715900000000, -0.0001396200000000, 0.0003101700000000 ] - [ 0.0077842300000000, -0.0044030000000000, -0.0178152200000000 ] - [ 0.0019633000000000, 0.0029221200000000, -0.0035811500000000 ] - [ 0.0000065900000000, -0.0001645900000000, -0.0004016100000000 ] - [ 0.0000238500000000, -0.0000301300000000, -0.0003786000000000 ] - [ 0.0033929500000000, -0.0033536400000000, 0.0023886600000000 ] - [ -0.0015770000000000, -0.0023006300000000, 0.0009917000000000 ] - [ 0.0000455600000000, 0.0003644200000000, -0.0001059200000000 ] - [ -0.0001271900000000, 0.0004810900000000, -0.0001145500000000 ] - [ -0.0055007300000000, -0.0058283600000000, 0.0034914400000000 ] - [ 0.0020418800000000, -0.0020466700000000, 0.0018594600000000 ] - [ 0.0000599900000000, 0.0006031800000000, 0.0002590200000000 ] - [ 0.0000340000000000, 0.0003626900000000, 0.0002444400000000 ] - [ 0.0010987500000000, 0.0027604000000000, -0.0041115200000000 ] - [ -0.0011978700000000, 0.0016748900000000, -0.0011965900000000 ] - [ 0.0003468700000000, -0.0003674700000000, -0.0002407700000000 ] - [ -0.0002614900000000, -0.0005353400000000, -0.0002120500000000 ] - [ -0.0010272300000000, -0.0003775300000000, 0.0025634400000000 ] - [ 0.0044141600000000, 0.0036381000000000, 0.0099248200000000 ] - [ -0.0000400400000000, -0.0001481700000000, 0.0003313900000000 ] - [ 0.0001197200000000, -0.0001827400000000, 0.0003717700000000 ] - [ 0.0008457700000000, -0.0001233400000000, -0.0010758400000000 ] - [ 0.0068817800000000, -0.0048920200000000, -0.0285705600000000 ] - [ -0.0000684000000000, -0.0002532300000000, 0.0001811200000000 ] - [ -0.0000152500000000, -0.0002805100000000, 0.0001681600000000 ] - [ -0.0266328200000000, 0.0527743200000000, -0.0841322300000000 ] - [ -0.0014459400000000, -0.0013314900000000, -0.0030946900000000 ] - [ 0.0001109700000000, -0.0001605200000000, -0.0001229900000000 ] - [ -0.0000593800000000, -0.0000951400000000, -0.0001214500000000 ] - [ 0.0042310600000000, 0.0020493300000000, 0.0089071800000000 ] - [ -0.0032443300000000, 0.0025480800000000, 0.0063471700000000 ] - [ 0.0000563800000000, 0.0000195000000000, 0.0003772600000000 ] - [ -0.0001449500000000, 0.0000132200000000, 0.0003589500000000 ] - [ -0.0001984900000000, -0.0006668200000000, 0.0010168500000000 ] - [ -0.0000140400000000, 0.0000106300000000, 0.0005797300000000 ] - [ 0.0000109400000000, 0.0022269700000000, 0.0033400700000000 ] - [ 0.0003981500000000, 0.0007687600000000, 0.0013208200000000 ] - [ -0.0003689500000000, -0.0003147500000000, -0.0014363600000000 ] - [ -0.0006723600000000, -0.0066940700000000, -0.0059414600000000 ] - [ -0.0002938000000000, 0.0000151000000000, -0.0006437700000000 ] - [ 0.0002274900000000, 0.0002920500000000, -0.0010047600000000 ] - [ 0.0006842700000000, 0.0097385600000000, -0.0032749900000000 ] - [ 0.0003862700000000, 0.0003574300000000, 0.0003610900000000 ] - [ -0.0002003800000000, -0.0003911800000000, -0.0001339700000000 ] - [ -0.0000765100000000, -0.0003375200000000, -0.0001362200000000 ] - [ -0.0022749100000000, -0.0023578000000000, 0.0044556600000000 ] - [ -0.0005134200000000, -0.0004695900000000, 0.0007671200000000 ] - [ -0.0003774600000000, -0.0000601800000000, 0.0003379900000000 ] - [ -0.0001982600000000, -0.0001635900000000, 0.0001023200000000 ] - [ 0.0000881600000000, -0.0545942800000000, 0.1631995000000000 ] - [ 0.0003353200000000, 0.0003514800000000, 0.0014856800000000 ] - [ 0.0001574000000000, 0.0003867700000000, 0.0000516300000000 ] - [ 0.0001988700000000, 0.0003686000000000, 0.0000204700000000 ] - [ -0.0025614300000000, 0.0008632500000000, -0.0069359200000000 ] - [ 0.0012434900000000, 0.0001902000000000, -0.0019614900000000 ] - [ -0.0002003200000000, -0.0000293000000000, -0.0002133900000000 ] - [ -0.0001628000000000, -0.0000445400000000, -0.0001933000000000 ] - [ -0.0000544400000000, -0.0002995700000000, 0.0003799600000000 ] - [ 0.0004043800000000, -0.0002586600000000, -0.0000108700000000 ] - [ -0.0006957200000000, 0.0017800100000000, 0.0004358100000000 ] - [ 0.0002312100000000, 0.0004905800000000, 0.0000540000000000 ] - [ 0.0032184200000000, 0.0104262100000000, -0.0311011500000000 ] - [ -0.0004909200000000, 0.0000137600000000, 0.0002299700000000 ] - [ -0.0000847500000000, 0.0000164800000000, 0.0001799000000000 ] - [ -0.0000185400000000, -0.0000012500000000, 0.0001675600000000 ] - [ -0.0038426900000000, -0.0060225700000000, -0.0049679100000000 ] - [ 0.0009743500000000, -0.0008161000000000, 0.0000477600000000 ] - [ -0.0000189600000000, 0.0001705800000000, 0.0000449600000000 ] - [ 0.0001007000000000, 0.0000539300000000, 0.0000690700000000 ] - [ 0.0001968500000000, -0.0026268500000000, -0.0019383300000000 ] - [ 0.0001749600000000, -0.0004467900000000, -0.0004983600000000 ] - [ -0.0000476700000000, 0.0001838700000000, -0.0003151200000000 ] - [ 0.0000035000000000, -0.0000848600000000, -0.0002516700000000 ] - [ 0.0012032400000000, 0.0057038400000000, 0.0046864900000000 ] - [ 0.0007876800000000, 0.0004848600000000, 0.0010472300000000 ] - [ 0.0001942000000000, 0.0000727600000000, 0.0001025400000000 ] - [ 0.0003198400000000, 0.0000962800000000, 0.0000981300000000 ] - [ -0.0008175900000000, -0.0003577400000000, -0.0038676800000000 ] - [ -0.0001627600000000, -0.0004880100000000, -0.0013949100000000 ] - [ -0.0003527600000000, -0.0002906300000000, -0.0002464500000000 ] - [ -0.0002220400000000, -0.0003294400000000, -0.0001561100000000 ] - [ -0.0002190800000000, -0.0000639100000000, -0.0007546300000000 ] - [ 0.0001066600000000, 0.0000191700000000, -0.0004384100000000 ] - [ -0.0000782900000000, 0.0001792600000000, -0.0015724900000000 ] - [ 0.0002673200000000, 0.0003143900000000, -0.0007831800000000 ] - [ 0.0001094900000000, 0.0017722600000000, -0.0009225900000000 ] - [ 0.0000824000000000, 0.0008526500000000, -0.0003565700000000 ] - [ 0.0000352900000000, -0.0007051700000000, -0.0001627100000000 ] - [ 0.0001530000000000, -0.0000713700000000, -0.0002643800000000 ] - [ -0.0035380900000000, 0.0001171000000000, -0.0031706100000000 ] - [ 0.0101026700000000, 0.0017916800000000, -0.0019657000000000 ] - [ -0.0001539200000000, 0.0002423400000000, 0.0001370300000000 ] - [ -0.0001164100000000, 0.0002302900000000, 0.0001385400000000 ] - [ -0.0001282200000000, -0.0001097100000000, -0.0030924400000000 ] - [ -0.0014013400000000, 0.0007525400000000, -0.0032016500000000 ] - [ -0.0002643400000000, 0.0002033800000000, 0.0000014500000000 ] - [ -0.0002660100000000, 0.0002298200000000, 0.0000048700000000 ] - [ -0.0000573900000000, -0.0001033400000000, -0.0018893600000000 ] - [ -0.0006541400000000, -0.0007902000000000, -0.0018929500000000 ] - [ 0.0001659100000000, -0.0003177600000000, -0.0001251500000000 ] - [ 0.0001684000000000, -0.0003546200000000, -0.0001250500000000 ] - [ -0.0000427300000000, 0.0000449300000000, 0.0030336300000000 ] - [ 0.0017023000000000, 0.0015172700000000, 0.0020083900000000 ] - [ -0.0001652200000000, 0.0000551500000000, 0.0002374600000000 ] - [ -0.0001890200000000, -0.0000401000000000, 0.0002815600000000 ] - [ -0.0013096900000000, -0.0011881900000000, -0.0003055900000000 ] - [ 0.0025924600000000, -0.0039289600000000, -0.0010669500000000 ] - [ -0.0000251800000000, -0.0001658400000000, 0.0000624700000000 ] - [ 0.0000603500000000, -0.0000160700000000, 0.0000534400000000 ] - [ 0.0025567500000000, -0.0024330900000000, -0.0042457200000000 ] - [ -0.0005507000000000, -0.0010787500000000, -0.0005272500000000 ] - [ 0.0000636400000000, 0.0002459900000000, -0.0001585500000000 ] - [ -0.0002104500000000, 0.0002189700000000, -0.0002520300000000 ] - [ 0.0001277100000000, -0.0000845400000000, 0.0000384500000000 ] - [ -0.0000221900000000, -0.0005761700000000, 0.0001595300000000 ] - [ -0.0002679100000000, 0.0003993100000000, 0.0000896300000000 ] - [ 0.0005759800000000, 0.0014092000000000, -0.0001498400000000 ] - [ 0.0028126500000000, 0.0013707000000000, 0.0003898100000000 ] - [ -0.0080520100000000, 0.0023495800000000, -0.0026367600000000 ] - [ 0.0000506000000000, 0.0002227500000000, 0.0002123200000000 ] - [ 0.0000013500000000, 0.0002272900000000, 0.0002073900000000 ] - [ 0.0005610300000000, 0.0000374400000000, -0.0004723600000000 ] - [ 0.0003505400000000, -0.0001664500000000, -0.0008219500000000 ] - [ 0.0003511200000000, -0.0006251500000000, -0.0005590300000000 ] - [ 0.0002718500000000, -0.0003020800000000, -0.0003470500000000 ] - [ -0.0002343900000000, 0.0003310900000000, 0.0005476200000000 ] - [ -0.0007036900000000, 0.0000655900000000, 0.0008084600000000 ] - [ -0.0003065200000000, 0.0003163700000000, 0.0005460300000000 ] - [ -0.0006323000000000, 0.0005361400000000, 0.0008075200000000 ] - [ -0.0000955000000000, -0.0003064200000000, 0.0016943100000000 ] - [ 0.0079605500000000, -0.0085425500000000, 0.0078220300000000 ] - [ 0.0001296100000000, -0.0001073800000000, 0.0002665500000000 ] - [ 0.0001366600000000, -0.0000790200000000, 0.0002516200000000 ] - [ 0.0014395600000000, 0.0003093300000000, 0.0007759900000000 ] - [ -0.0029038700000000, 0.0051806200000000, -0.0020259200000000 ] - [ 0.0001667700000000, -0.0004132500000000, 0.0002518000000000 ] - [ 0.0000761100000000, -0.0003719300000000, 0.0002258200000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010979600000000, 0.0002760500000000, -0.0006676600000000 ] - [ -0.0008200400000000, -0.0007248900000000, -0.0003032300000000 ] - [ 0.0011898400000000, -0.0018410200000000, 0.0000745000000000 ] - [ -0.0008872600000000, -0.0002373700000000, 0.0000682400000000 ] - [ 0.0049074900000000, 0.0002262100000000, 0.0008365100000000 ] - [ -0.0029864700000000, -0.0013610800000000, -0.0006680100000000 ] - [ 0.0009656700000000, -0.0009701900000000, -0.0004040100000000 ] - [ -0.0010881900000000, -0.0001220300000000, -0.0004573600000000 ] - [ 0.0032784500000000, 0.0004806800000000, 0.0002872300000000 ] - [ -0.0034185000000000, 0.0002239000000000, 0.0009726300000000 ] - [ 0.0001977100000000, -0.0005313900000000, -0.0002484600000000 ] - [ -0.0001317400000000, -0.0003114300000000, -0.0001319500000000 ] - [ 0.0044818400000000, 0.0114257900000000, 0.0020284800000000 ] - [ -0.0033494000000000, -0.0012154200000000, -0.0018319200000000 ] - [ -0.0000361100000000, -0.0005723300000000, 0.0000535300000000 ] - [ -0.0001486900000000, -0.0000104000000000, -0.0002188000000000 ] - [ 0.0021052600000000, -0.0020175100000000, -0.0065710000000000 ] - [ -0.0023062000000000, 0.0032554800000000, 0.0021589500000000 ] - [ 0.0002833200000000, -0.0000881100000000, 0.0001175600000000 ] - [ -0.0001697000000000, -0.0005849400000000, 0.0002597200000000 ] - [ 0.0001959800000000, -0.0018014600000000, 0.0026856500000000 ] - [ -0.0018305300000000, 0.0017028200000000, -0.0001321700000000 ] - [ 0.0006515900000000, 0.0000398500000000, 0.0002616600000000 ] - [ -0.0005619700000000, -0.0006101500000000, 0.0001878600000000 ] - [ -0.0068300100000000, 0.0047787000000000, -0.0026402000000000 ] - [ 0.0113422400000000, 0.0030630900000000, -0.0046510700000000 ] - [ -0.0002546500000000, -0.0005558400000000, 0.0001732000000000 ] - [ 0.0002498700000000, -0.0005397300000000, 0.0001609600000000 ] - [ -0.0093276800000000, -0.0013205200000000, 0.0025539300000000 ] - [ 0.0113240300000000, 0.0043758900000000, -0.0018297400000000 ] - [ -0.0001717600000000, -0.0006295200000000, 0.0002111900000000 ] - [ 0.0000750500000000, -0.0007274500000000, 0.0002674900000000 ] - [ 0.0046442500000000, 0.0032038800000000, -0.0004931000000000 ] - [ -0.0031491500000000, 0.0001597600000000, 0.0007092900000000 ] - [ 0.0002786700000000, -0.0008761600000000, 0.0002594300000000 ] - [ -0.0002399400000000, -0.0005232900000000, 0.0001591700000000 ] - [ 0.0843178000000000, 0.0440060500000000, -0.0099353000000000 ] - [ -0.0106278900000000, 0.0037025600000000, -0.0038377400000000 ] - [ 0.0001852200000000, -0.0004356700000000, 0.0001083000000000 ] - [ -0.0002452800000000, -0.0004880900000000, 0.0000744500000000 ] - [ -0.0002105700000000, -0.0016922100000000, -0.0004697800000000 ] - [ 0.0000382300000000, 0.0003109200000000, -0.0004431100000000 ] - [ 0.0034678500000000, 0.0021587600000000, -0.0031497500000000 ] - [ -0.0038006000000000, -0.0037011500000000, 0.0007092800000000 ] - [ -0.0021243400000000, 0.0015255600000000, 0.0004563100000000 ] - [ 0.0000551200000000, -0.0028106700000000, -0.0007567600000000 ] - [ -0.0007657600000000, -0.0007892300000000, -0.0000988600000000 ] - [ 0.0009900000000000, -0.0003488400000000, 0.0004365600000000 ] - [ -0.0022474700000000, 0.0043841300000000, 0.0027827500000000 ] - [ 0.0018063300000000, -0.0016852700000000, -0.0001978000000000 ] - [ -0.0003946000000000, 0.0001678800000000, -0.0001904900000000 ] - [ 0.0000540800000000, 0.0000455800000000, -0.0001132900000000 ] - [ -0.0011191800000000, 0.0000506500000000, 0.0006383800000000 ] - [ 0.0007531200000000, -0.0001031000000000, -0.0007018200000000 ] - [ -0.0004405400000000, -0.0001252200000000, -0.0002322600000000 ] - [ 0.0000472100000000, 0.0000612600000000, -0.0001282900000000 ] - [ -0.0033246400000000, 0.0005228600000000, 0.0023228500000000 ] - [ 0.0019194000000000, -0.0003129300000000, -0.0015009500000000 ] - [ 0.0000790400000000, 0.0005878800000000, -0.0000469900000000 ] - [ 0.0002263300000000, 0.0005235000000000, -0.0000843800000000 ] - [ -0.1420416700000000, -0.0736485800000000, 0.0353381700000000 ] - [ 0.0039299600000000, 0.0003652300000000, -0.0000261800000000 ] - [ -0.0002174300000000, 0.0001625900000000, -0.0001468800000000 ] - [ -0.0000571700000000, 0.0001589100000000, -0.0001534300000000 ] - [ -0.0006124600000000, 0.0011811200000000, -0.0005192900000000 ] - [ 0.0005848900000000, 0.0000493900000000, -0.0003014000000000 ] - [ -0.0013902700000000, 0.0009439800000000, -0.0006392200000000 ] - [ 0.0008056500000000, 0.0000806200000000, -0.0000202800000000 ] - [ -0.0038334800000000, -0.0019718100000000, 0.0000786700000000 ] - [ 0.0018665300000000, -0.0001067800000000, -0.0000802100000000 ] - [ -0.0001225300000000, 0.0003072200000000, 0.0001746800000000 ] - [ 0.0001057200000000, 0.0002535600000000, 0.0001462300000000 ] - [ -0.0061268200000000, 0.0008361500000000, -0.0017360500000000 ] - [ 0.0026972100000000, 0.0006042600000000, 0.0009519300000000 ] - [ -0.0000846700000000, 0.0003217500000000, 0.0001560000000000 ] - [ 0.0002032200000000, 0.0001909200000000, 0.0001195200000000 ] - [ -0.0039024200000000, 0.0014751300000000, -0.0001937200000000 ] - [ 0.0026201800000000, -0.0011289400000000, -0.0004111200000000 ] - [ -0.0003143500000000, 0.0002552200000000, 0.0000150400000000 ] - [ 0.0001762700000000, -0.0001800100000000, -0.0001373600000000 ] - [ -0.0017527700000000, -0.0011327500000000, -0.0000291400000000 ] - [ 0.0017115200000000, 0.0003016600000000, -0.0002759900000000 ] - [ 0.0000525300000000, 0.0002752400000000, -0.0001786100000000 ] - [ 0.0004550100000000, 0.0002986600000000, -0.0000742600000000 ] - [ -0.0044976600000000, 0.0041709200000000, 0.0009587800000000 ] - [ 0.0023453700000000, -0.0019010300000000, 0.0005351500000000 ] - [ -0.0004629700000000, -0.0000911800000000, -0.0000533800000000 ] - [ -0.0001045300000000, -0.0001154800000000, 0.0000726600000000 ] - [ 0.0001841000000000, 0.0012273000000000, -0.0003644200000000 ] - [ 0.0006585900000000, 0.0003132300000000, 0.0001262600000000 ] - [ -0.0013777100000000, -0.0004285400000000, 0.0005367500000000 ] - [ 0.0018135800000000, 0.0013287300000000, 0.0002883500000000 ] - [ -0.0000860700000000, 0.0014649100000000, 0.0003546700000000 ] - [ 0.0004258500000000, -0.0005714400000000, -0.0000496700000000 ] - [ -0.0005570000000000, 0.0006210000000000, 0.0000600500000000 ] - [ 0.0010557000000000, 0.0009717100000000, -0.0003485400000000 ] - [ 0.0235524700000000, 0.0009202800000000, -0.0183772800000000 ] - [ 0.0041425900000000, -0.0000651800000000, 0.0009242300000000 ] - [ -0.0001480200000000, 0.0005966200000000, 0.0001936200000000 ] - [ -0.0000960500000000, 0.0004826300000000, 0.0001956800000000 ] - [ 0.0100512000000000, 0.0045561000000000, 0.0067750500000000 ] - [ 0.0105957000000000, -0.0044421500000000, -0.0023034100000000 ] - [ -0.0003331000000000, 0.0004097900000000, 0.0001467700000000 ] - [ -0.0003051100000000, 0.0004517500000000, 0.0001327800000000 ] - [ 0.0010970100000000, -0.0039909800000000, 0.0019462400000000 ] - [ 0.0042923800000000, 0.0034437600000000, 0.0002076700000000 ] - [ 0.0004043300000000, 0.0000824700000000, 0.0000566500000000 ] - [ 0.0002891400000000, -0.0002120400000000, 0.0000817200000000 ] - [ 0.0004592600000000, -0.0015659600000000, -0.0015026900000000 ] - [ 0.0004672900000000, 0.0005245700000000, 0.0004419700000000 ] - [ -0.0002352300000000, 0.0003827400000000, -0.0000380800000000 ] - [ -0.0002338100000000, 0.0000948500000000, 0.0000385900000000 ] - [ 0.0050435400000000, 0.0054882200000000, -0.0035967300000000 ] - [ 0.0012934900000000, -0.0037473600000000, 0.0014595600000000 ] - [ 0.0000312500000000, -0.0000971800000000, 0.0001800100000000 ] - [ 0.0000652700000000, 0.0001428500000000, 0.0001663100000000 ] - [ -0.0006856100000000, -0.0006330600000000, 0.0007272900000000 ] - [ 0.0027962400000000, 0.0043956300000000, -0.0020295900000000 ] - [ 0.0000439100000000, 0.0004457100000000, -0.0000025000000000 ] - [ -0.0000864800000000, 0.0000503100000000, -0.0001025100000000 ] - [ 0.0003995800000000, 0.0006651700000000, -0.0003035500000000 ] - [ -0.0005635900000000, -0.0001262400000000, -0.0004523100000000 ] - [ 0.0007519900000000, -0.0010963900000000, -0.0003272100000000 ] - [ 0.0001293100000000, 0.0008390700000000, -0.0000648000000000 ] - [ 0.0002857400000000, -0.0004578500000000, 0.0013879300000000 ] - [ 0.0011057400000000, -0.0027903100000000, -0.0036562600000000 ] - [ 0.0000803900000000, 0.0004553600000000, 0.0001610100000000 ] - [ 0.0000584800000000, 0.0005328600000000, 0.0001615700000000 ] - [ 0.0005110900000000, 0.0006103700000000, 0.0003463800000000 ] - [ -0.0002896800000000, -0.0001905400000000, 0.0004861100000000 ] - [ 0.0005136100000000, -0.0008983300000000, 0.0003705600000000 ] - [ -0.0002900900000000, 0.0012877700000000, 0.0003454900000000 ] - [ 0.0001711300000000, 0.0007942600000000, -0.0001019100000000 ] - [ -0.0005650700000000, -0.0001934500000000, -0.0000234600000000 ] - [ -0.0000060900000000, -0.0001122200000000, -0.0003149600000000 ] - [ -0.0001854600000000, 0.0008519200000000, -0.0001038100000000 ] - [ 0.0011118900000000, 0.0001783600000000, -0.0011822400000000 ] - [ 0.0007440400000000, -0.0043157100000000, 0.0027264900000000 ] - [ 0.0001906000000000, -0.0000900600000000, 0.0001297400000000 ] - [ 0.0001366900000000, 0.0000967300000000, 0.0000593000000000 ] - [ 0.0014662600000000, 0.0001757700000000, 0.0008966700000000 ] - [ -0.0009013300000000, -0.0017250000000000, 0.0005250600000000 ] - [ 0.0002191500000000, -0.0001080400000000, 0.0001443200000000 ] - [ 0.0000740000000000, 0.0004241800000000, 0.0000149500000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010120700000000, -0.0007466000000000, 0.0002537900000000 ] - [ 0.0009153600000000, 0.0002491000000000, -0.0001129200000000 ] - [ -0.0011064300000000, 0.0013724300000000, -0.0004916100000000 ] - [ 0.0009822900000000, -0.0002268900000000, -0.0004845400000000 ] - [ -0.0049796300000000, -0.0002634900000000, -0.0012279700000000 ] - [ 0.0029656700000000, 0.0012880500000000, 0.0002844100000000 ] - [ -0.0010023200000000, 0.0009065600000000, 0.0000209200000000 ] - [ 0.0010629900000000, 0.0000648400000000, 0.0000732400000000 ] - [ -0.0032405600000000, -0.0004118300000000, -0.0006670600000000 ] - [ 0.0034479800000000, -0.0001550200000000, -0.0013656600000000 ] - [ -0.0001668500000000, 0.0005965500000000, -0.0001373800000000 ] - [ 0.0001611900000000, 0.0003746200000000, -0.0002547200000000 ] - [ -0.0044771300000000, -0.0109790200000000, -0.0024916500000000 ] - [ 0.0032590500000000, 0.0017009700000000, 0.0014274700000000 ] - [ -0.0000515300000000, 0.0010475000000000, -0.0004714300000000 ] - [ 0.0000555500000000, 0.0004804300000000, -0.0001959600000000 ] - [ -0.0019688600000000, 0.0024589300000000, 0.0069984600000000 ] - [ 0.0023947800000000, -0.0028034300000000, -0.0017543200000000 ] - [ -0.0001909000000000, 0.0005591900000000, 0.0002986400000000 ] - [ 0.0002606600000000, 0.0010591600000000, 0.0001554100000000 ] - [ -0.0001971900000000, 0.0018645700000000, -0.0023180900000000 ] - [ 0.0017928400000000, -0.0016484500000000, 0.0005208600000000 ] - [ -0.0006797000000000, 0.0000229000000000, 0.0001219200000000 ] - [ 0.0005297600000000, 0.0006748700000000, 0.0001971300000000 ] - [ 0.0068497100000000, -0.0048094800000000, 0.0030133300000000 ] - [ -0.0115054800000000, -0.0033354300000000, 0.0055460200000000 ] - [ 0.0002870800000000, 0.0004950300000000, 0.0002136900000000 ] - [ -0.0002217900000000, 0.0004799000000000, 0.0002252100000000 ] - [ 0.0092053900000000, 0.0008311500000000, -0.0021273600000000 ] - [ -0.0115576800000000, -0.0048173100000000, 0.0019690900000000 ] - [ 0.0000814300000000, 0.0001613100000000, 0.0002038300000000 ] - [ -0.0001673100000000, 0.0002601400000000, 0.0001473400000000 ] - [ -0.0046006400000000, -0.0034658800000000, 0.0007628800000000 ] - [ 0.0032108200000000, -0.0004157100000000, -0.0004341700000000 ] - [ -0.0002200800000000, 0.0006321900000000, 0.0000159900000000 ] - [ 0.0003005200000000, 0.0002798000000000, 0.0001166300000000 ] - [ -0.0806115300000000, -0.0400300000000000, 0.0092533500000000 ] - [ 0.0105868700000000, -0.0034863900000000, 0.0041327200000000 ] - [ -0.0002435700000000, 0.0006844700000000, 0.0001674400000000 ] - [ 0.0001848000000000, 0.0007376600000000, 0.0002024400000000 ] - [ 0.0002799100000000, 0.0019494900000000, 0.0002005100000000 ] - [ 0.0000153700000000, -0.0000662900000000, 0.0001684700000000 ] - [ -0.0033817000000000, -0.0019229600000000, 0.0028848100000000 ] - [ 0.0038616800000000, 0.0039674000000000, -0.0009929400000000 ] - [ 0.0020720500000000, -0.0017599600000000, -0.0007325400000000 ] - [ -0.0001237900000000, 0.0025510000000000, 0.0004645800000000 ] - [ 0.0007114000000000, 0.0005431700000000, -0.0001760600000000 ] - [ -0.0010590100000000, 0.0001066500000000, -0.0007177300000000 ] - [ 0.0020143400000000, -0.0047881700000000, -0.0030685800000000 ] - [ -0.0020709200000000, 0.0012394900000000, -0.0001228700000000 ] - [ 0.0001319000000000, -0.0006079700000000, -0.0001272700000000 ] - [ -0.0003195000000000, -0.0004826100000000, -0.0002048100000000 ] - [ 0.0006587300000000, -0.0004300500000000, -0.0008712900000000 ] - [ -0.0012146300000000, -0.0002788900000000, 0.0004664500000000 ] - [ -0.0000192100000000, -0.0002550800000000, -0.0000015800000000 ] - [ -0.0005092800000000, -0.0004408100000000, -0.0001067600000000 ] - [ 0.0037826400000000, 0.0001561100000000, -0.0024226500000000 ] - [ -0.0014755200000000, 0.0009933600000000, 0.0014107600000000 ] - [ 0.0003639000000000, 0.0000914000000000, -0.0000390900000000 ] - [ 0.0002163600000000, 0.0001559300000000, -0.0000018200000000 ] - [ 0.1378312800000000, 0.0699597800000000, -0.0345289800000000 ] - [ -0.0043373400000000, -0.0005079800000000, -0.0001948500000000 ] - [ -0.0001908800000000, -0.0003059700000000, -0.0000730100000000 ] - [ -0.0003513100000000, -0.0003019100000000, -0.0000662700000000 ] - [ 0.0005912200000000, -0.0007556100000000, 0.0002169900000000 ] - [ -0.0006116400000000, 0.0003898900000000, -0.0000071700000000 ] - [ 0.0013640500000000, -0.0005048000000000, 0.0003321300000000 ] - [ -0.0008308900000000, 0.0003507800000000, -0.0002877000000000 ] - [ 0.0037623300000000, 0.0019790300000000, 0.0001816800000000 ] - [ -0.0019495300000000, 0.0001111900000000, 0.0003587200000000 ] - [ 0.0000397300000000, -0.0003063400000000, 0.0000999300000000 ] - [ -0.0001896400000000, -0.0002522000000000, 0.0001287100000000 ] - [ 0.0061290600000000, -0.0008844900000000, 0.0020526500000000 ] - [ -0.0026121300000000, -0.0005931200000000, -0.0006776000000000 ] - [ 0.0001673400000000, -0.0003243500000000, 0.0001189500000000 ] - [ -0.0001199400000000, -0.0001946100000000, 0.0001554500000000 ] - [ 0.0039340200000000, -0.0019003000000000, -0.0001394900000000 ] - [ -0.0025958800000000, 0.0006881400000000, 0.0001079000000000 ] - [ 0.0003394600000000, -0.0006930400000000, -0.0003245000000000 ] - [ -0.0001522300000000, -0.0002540100000000, -0.0001705100000000 ] - [ 0.0021616300000000, 0.0012776500000000, -0.0001854500000000 ] - [ -0.0013022000000000, -0.0001545300000000, 0.0000590500000000 ] - [ 0.0003561000000000, -0.0001322900000000, -0.0000407000000000 ] - [ -0.0000473300000000, -0.0001571700000000, -0.0001451000000000 ] - [ 0.0039585600000000, -0.0048895400000000, -0.0010503100000000 ] - [ -0.0027930000000000, 0.0012324000000000, -0.0006236400000000 ] - [ 0.0000202200000000, -0.0005892200000000, -0.0000338400000000 ] - [ -0.0003379000000000, -0.0005669700000000, -0.0001597600000000 ] - [ 0.0002737700000000, -0.0008613500000000, 0.0001281200000000 ] - [ -0.0001969200000000, 0.0000684200000000, -0.0003622100000000 ] - [ 0.0018317300000000, 0.0008188800000000, -0.0007747100000000 ] - [ -0.0013591700000000, -0.0009575600000000, -0.0005271600000000 ] - [ 0.0003484600000000, -0.0010305100000000, -0.0006793400000000 ] - [ -0.0001604800000000, 0.0010147100000000, -0.0002690100000000 ] - [ 0.0008196400000000, -0.0001822600000000, -0.0003793800000000 ] - [ -0.0007921100000000, -0.0005405300000000, 0.0000322000000000 ] - [ -0.0234572400000000, -0.0005462100000000, 0.0182469800000000 ] - [ -0.0044142200000000, 0.0005053600000000, -0.0006270300000000 ] - [ -0.0001172900000000, -0.0001615200000000, 0.0001243500000000 ] - [ -0.0001679200000000, -0.0000461200000000, 0.0001221200000000 ] - [ -0.0103307600000000, -0.0040858100000000, -0.0064153900000000 ] - [ -0.0111412100000000, 0.0048589500000000, 0.0025894900000000 ] - [ -0.0001283600000000, -0.0000307200000000, 0.0000885000000000 ] - [ -0.0001550900000000, -0.0000735300000000, 0.0001024200000000 ] - [ -0.0006622600000000, 0.0032952200000000, -0.0018597100000000 ] - [ -0.0038652900000000, -0.0041449600000000, -0.0001152100000000 ] - [ 0.0000357900000000, -0.0007644200000000, 0.0000284900000000 ] - [ 0.0001549400000000, -0.0004682000000000, 0.0000045500000000 ] - [ -0.0008708200000000, 0.0017004800000000, 0.0017206800000000 ] - [ -0.0008627100000000, -0.0003866400000000, -0.0002168800000000 ] - [ -0.0001741300000000, -0.0002404400000000, 0.0002581600000000 ] - [ -0.0001727800000000, 0.0000471100000000, 0.0001813900000000 ] - [ -0.0050858800000000, -0.0059147900000000, 0.0039039800000000 ] - [ -0.0013109300000000, 0.0033343600000000, -0.0011611400000000 ] - [ -0.0000578700000000, -0.0003403700000000, 0.0001278100000000 ] - [ -0.0000893500000000, -0.0005792700000000, 0.0001414300000000 ] - [ 0.0005969700000000, 0.0006268500000000, -0.0010019200000000 ] - [ -0.0028843200000000, -0.0044039100000000, 0.0017566200000000 ] - [ -0.0001285700000000, -0.0004484500000000, -0.0002729500000000 ] - [ 0.0000053500000000, -0.0000522800000000, -0.0001723700000000 ] - [ -0.0003207000000000, -0.0006629100000000, 0.0000273700000000 ] - [ 0.0006523100000000, 0.0001281500000000, 0.0001801700000000 ] - [ -0.0006790800000000, 0.0011021000000000, 0.0000553000000000 ] - [ -0.0000396500000000, -0.0008356100000000, -0.0002126800000000 ] - [ -0.0002661100000000, 0.0008941300000000, -0.0010724200000000 ] - [ -0.0010917900000000, 0.0032463300000000, 0.0039821500000000 ] - [ -0.0000565200000000, -0.0000206000000000, 0.0001463100000000 ] - [ -0.0000334800000000, -0.0000977700000000, 0.0001458300000000 ] - [ -0.0001106000000000, -0.0007523000000000, -0.0001270400000000 ] - [ 0.0007049900000000, 0.0000460500000000, -0.0002712500000000 ] - [ -0.0001080600000000, 0.0007543000000000, -0.0001517400000000 ] - [ 0.0007046500000000, -0.0014379100000000, -0.0001269100000000 ] - [ -0.0006197000000000, -0.0001163400000000, 0.0001919900000000 ] - [ 0.0001257300000000, 0.0008750300000000, 0.0001097000000000 ] - [ -0.0004390500000000, 0.0007889900000000, 0.0004013900000000 ] - [ -0.0002561800000000, -0.0001722700000000, 0.0001904300000000 ] - [ -0.0006561300000000, -0.0005471300000000, 0.0014150300000000 ] - [ -0.0002896700000000, 0.0039386600000000, -0.0024818800000000 ] - [ 0.0002693800000000, -0.0002895400000000, 0.0001060800000000 ] - [ 0.0003244500000000, -0.0004769300000000, 0.0001763200000000 ] - [ -0.0012060400000000, -0.0006046200000000, -0.0005768800000000 ] - [ 0.0011735500000000, 0.0012936500000000, -0.0002075100000000 ] - [ 0.0000444300000000, -0.0003309200000000, 0.0001736900000000 ] - [ 0.0001909700000000, -0.0008620200000000, 0.0003033800000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010494700000000, -0.0007215500000000, -0.0009542200000000 ] - [ -0.0006910800000000, -0.0006077900000000, -0.0003856600000000 ] - [ -0.0003478400000000, -0.0023845700000000, 0.0004375500000000 ] - [ 0.0002212400000000, -0.0009164900000000, 0.0002536400000000 ] - [ 0.0065454800000000, -0.0071183200000000, 0.0013141600000000 ] - [ -0.0020864300000000, -0.0006662800000000, -0.0002818100000000 ] - [ -0.0005302300000000, -0.0027329800000000, -0.0005630400000000 ] - [ 0.0003274000000000, -0.0015079300000000, -0.0004900200000000 ] - [ 0.0012398400000000, 0.0031210600000000, 0.0009371200000000 ] - [ -0.0018160000000000, 0.0016455100000000, 0.0003334700000000 ] - [ 0.0000259500000000, -0.0017295100000000, -0.0001816700000000 ] - [ 0.0001029000000000, -0.0013825200000000, -0.0000460700000000 ] - [ 0.0094465300000000, -0.0054779500000000, -0.0079265200000000 ] - [ -0.0020030600000000, 0.0011928200000000, -0.0012917000000000 ] - [ -0.0004952800000000, -0.0019390200000000, 0.0002560200000000 ] - [ 0.0002143100000000, -0.0011464400000000, -0.0001986800000000 ] - [ -0.0027676900000000, 0.0025797700000000, -0.0067395400000000 ] - [ -0.0002097500000000, 0.0022985500000000, -0.0000723700000000 ] - [ 0.0002119500000000, -0.0014951900000000, 0.0002718100000000 ] - [ -0.0001086100000000, -0.0012472400000000, 0.0002426800000000 ] - [ -0.0039747100000000, -0.0018778300000000, 0.0041991500000000 ] - [ 0.0003906000000000, 0.0008180400000000, 0.0010324000000000 ] - [ 0.0003934800000000, -0.0015903400000000, -0.0002225800000000 ] - [ -0.0003943300000000, -0.0013746300000000, 0.0000101300000000 ] - [ -0.0006612600000000, 0.0047374000000000, 0.0001609100000000 ] - [ 0.0010139800000000, 0.0115316100000000, -0.0009668500000000 ] - [ -0.0002515600000000, -0.0016885400000000, 0.0001705300000000 ] - [ 0.0001727800000000, -0.0017913800000000, 0.0002161400000000 ] - [ -0.0015657900000000, 0.0025592400000000, 0.0006075200000000 ] - [ 0.0015935600000000, 0.0139469000000000, -0.0025628000000000 ] - [ -0.0000982400000000, -0.0017257300000000, 0.0002462900000000 ] - [ 0.0000075600000000, -0.0019505200000000, 0.0002565600000000 ] - [ 0.0029772400000000, 0.0045486300000000, 0.0019898200000000 ] - [ -0.0014217700000000, 0.0024231300000000, 0.0003597600000000 ] - [ 0.0000171800000000, -0.0021645100000000, 0.0002367200000000 ] - [ -0.0000170700000000, -0.0018698200000000, 0.0001282300000000 ] - [ 0.0439347400000000, 0.0749301100000000, -0.0100000000000000 ] - [ 0.0000228200000000, 0.0044428000000000, -0.0013191900000000 ] - [ 0.0000858900000000, -0.0021690000000000, 0.0000121700000000 ] - [ -0.0001923900000000, -0.0018202200000000, 0.0001479700000000 ] - [ -0.0012485700000000, -0.0033914400000000, -0.0013154300000000 ] - [ 0.0009118500000000, -0.0012166400000000, -0.0006540600000000 ] - [ 0.0038111500000000, -0.0035403200000000, 0.0024068500000000 ] - [ -0.0025422300000000, -0.0022549900000000, 0.0009437000000000 ] - [ 0.0005199200000000, 0.0007337300000000, -0.0006553300000000 ] - [ -0.0019624000000000, -0.0027575100000000, -0.0020713000000000 ] - [ -0.0008200200000000, -0.0017659000000000, -0.0001334700000000 ] - [ 0.0012940400000000, -0.0022436400000000, 0.0009751600000000 ] - [ 0.0029762200000000, 0.0039760400000000, 0.0071112200000000 ] - [ 0.0001452800000000, -0.0014791100000000, -0.0001213700000000 ] - [ -0.0004045900000000, 0.0011865500000000, -0.0000660800000000 ] - [ -0.0000287500000000, 0.0006629600000000, -0.0000849700000000 ] - [ -0.0007315500000000, -0.0001912400000000, 0.0009637600000000 ] - [ -0.0001250300000000, -0.0003822200000000, -0.0002630200000000 ] - [ -0.0001790700000000, 0.0005249900000000, -0.0004346300000000 ] - [ 0.0002015400000000, 0.0004536000000000, -0.0002006400000000 ] - [ 0.0004434200000000, -0.0011521300000000, -0.0009694100000000 ] - [ 0.0011256400000000, -0.0008354700000000, -0.0003015800000000 ] - [ -0.0000567300000000, 0.0011505900000000, -0.0000856400000000 ] - [ -0.0000110400000000, 0.0010377100000000, -0.0000702200000000 ] - [ -0.0735274600000000, -0.1065813500000000, 0.0276849200000000 ] - [ 0.0002344700000000, -0.0011504800000000, 0.0001566100000000 ] - [ 0.0000299700000000, 0.0008239200000000, -0.0002526300000000 ] - [ 0.0000265400000000, 0.0006423900000000, -0.0002672800000000 ] - [ -0.0005759800000000, 0.0025421000000000, -0.0011681300000000 ] - [ 0.0002238400000000, 0.0004359300000000, -0.0002519100000000 ] - [ -0.0005748100000000, 0.0017599300000000, -0.0000833100000000 ] - [ -0.0001435100000000, 0.0003253200000000, -0.0000178600000000 ] - [ -0.0021518100000000, -0.0036230100000000, -0.0003013200000000 ] - [ 0.0003859400000000, -0.0012307500000000, 0.0000020800000000 ] - [ 0.0000289800000000, 0.0009714800000000, 0.0002028000000000 ] - [ 0.0000859500000000, 0.0008303600000000, 0.0002130000000000 ] - [ 0.0057756300000000, 0.0104888700000000, -0.0128740700000000 ] - [ 0.0000956700000000, -0.0009966600000000, 0.0001215200000000 ] - [ 0.0000546400000000, 0.0010597100000000, 0.0001292000000000 ] - [ 0.0001629300000000, 0.0008053900000000, 0.0001127800000000 ] - [ -0.0018690000000000, 0.0021559000000000, -0.0036444500000000 ] - [ 0.0013473500000000, -0.0009939700000000, -0.0005215600000000 ] - [ -0.0003702100000000, 0.0009021800000000, 0.0001948800000000 ] - [ -0.0000834400000000, 0.0003242100000000, -0.0000614000000000 ] - [ -0.0010050500000000, -0.0012048800000000, -0.0008874800000000 ] - [ 0.0004334400000000, -0.0005783500000000, -0.0003798800000000 ] - [ 0.0004078400000000, 0.0008562200000000, 0.0000139400000000 ] - [ 0.0004320400000000, 0.0006933300000000, 0.0000313400000000 ] - [ 0.0084436800000000, 0.0137943800000000, 0.0057208500000000 ] - [ 0.0004111100000000, -0.0012586700000000, 0.0003697700000000 ] - [ -0.0005824100000000, 0.0007269000000000, -0.0000419500000000 ] - [ -0.0004502800000000, 0.0004052400000000, -0.0000175800000000 ] - [ 0.0010238300000000, 0.0028909300000000, -0.0000504000000000 ] - [ 0.0004446200000000, 0.0006034000000000, 0.0000032500000000 ] - [ -0.0005227300000000, 0.0025110500000000, -0.0003493400000000 ] - [ 0.0010499100000000, 0.0009356600000000, 0.0001975400000000 ] - [ 0.0003282300000000, 0.0017948800000000, 0.0009771100000000 ] - [ 0.0000079900000000, -0.0000670100000000, 0.0000430200000000 ] - [ -0.0003121700000000, 0.0016460400000000, -0.0005671100000000 ] - [ 0.0005987800000000, 0.0009800300000000, -0.0003496600000000 ] - [ -0.0036440200000000, -0.0079527300000000, 0.0032232800000000 ] - [ 0.0001686400000000, -0.0020341700000000, 0.0005622900000000 ] - [ -0.0000946400000000, 0.0014692100000000, 0.0003067300000000 ] - [ -0.0001053000000000, 0.0012509600000000, 0.0002871600000000 ] - [ 0.0028284200000000, -0.0044535100000000, 0.0017445400000000 ] - [ 0.0008963200000000, -0.0036701100000000, 0.0015427200000000 ] - [ -0.0005748300000000, 0.0010508600000000, 0.0001231100000000 ] - [ -0.0005180500000000, 0.0009669600000000, 0.0000698000000000 ] - [ -0.0036569500000000, 0.0000866500000000, -0.0013931600000000 ] - [ 0.0035924100000000, 0.0016951400000000, 0.0000740000000000 ] - [ 0.0008336900000000, 0.0006840100000000, 0.0001532900000000 ] - [ 0.0003356400000000, 0.0003858200000000, 0.0000586900000000 ] - [ -0.0006589500000000, -0.0008839400000000, 0.0006221400000000 ] - [ 0.0014241100000000, -0.0008846500000000, 0.0008418800000000 ] - [ -0.0002273700000000, 0.0007582700000000, -0.0001675500000000 ] - [ -0.0005157200000000, 0.0007582500000000, -0.0001697700000000 ] - [ 0.0059341500000000, 0.0012247300000000, -0.0030163400000000 ] - [ -0.0029101100000000, -0.0014354000000000, -0.0002845800000000 ] - [ 0.0001468000000000, 0.0007048200000000, 0.0001370100000000 ] - [ 0.0003614800000000, 0.0008208800000000, 0.0001689600000000 ] - [ -0.0010616400000000, -0.0005225600000000, -0.0009756500000000 ] - [ 0.0015397800000000, 0.0020928300000000, -0.0012066700000000 ] - [ 0.0001495600000000, 0.0009081600000000, 0.0000834400000000 ] - [ -0.0002464700000000, 0.0007388200000000, 0.0000309000000000 ] - [ 0.0005632700000000, 0.0008952100000000, -0.0002402600000000 ] - [ -0.0010202900000000, 0.0009592000000000, -0.0009904800000000 ] - [ -0.0013568500000000, 0.0012074300000000, 0.0004561900000000 ] - [ 0.0007927100000000, 0.0009035800000000, -0.0001022300000000 ] - [ 0.0000390600000000, -0.0015786700000000, 0.0004844100000000 ] - [ 0.0005409500000000, -0.0037777300000000, -0.0036282900000000 ] - [ 0.0002200600000000, 0.0011158300000000, 0.0001909800000000 ] - [ 0.0002169200000000, 0.0011031000000000, 0.0002026700000000 ] - [ 0.0010343200000000, 0.0007159500000000, 0.0004719900000000 ] - [ -0.0011620100000000, 0.0008787700000000, 0.0013445500000000 ] - [ -0.0004759600000000, 0.0007160800000000, -0.0001154400000000 ] - [ 0.0003212000000000, 0.0008790100000000, 0.0001008100000000 ] - [ 0.0008747500000000, 0.0013640900000000, -0.0005139600000000 ] - [ -0.0005231300000000, 0.0003365900000000, -0.0001862100000000 ] - [ -0.0002139700000000, 0.0004973900000000, 0.0001488100000000 ] - [ 0.0001697400000000, 0.0008391000000000, -0.0000538600000000 ] - [ 0.0013687700000000, -0.0014413000000000, -0.0004899500000000 ] - [ 0.0001951900000000, -0.0020056800000000, -0.0002848000000000 ] - [ -0.0000981900000000, 0.0005168500000000, 0.0001867500000000 ] - [ -0.0000127000000000, 0.0005512800000000, 0.0000901200000000 ] - [ 0.0014010100000000, -0.0007586800000000, 0.0006549300000000 ] - [ -0.0007032900000000, -0.0017416100000000, 0.0008185300000000 ] - [ 0.0000836600000000, 0.0006489300000000, -0.0000162200000000 ] - [ 0.0002023800000000, 0.0010005100000000, -0.0000241400000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009510900000000, 0.0002542900000000, 0.0005325300000000 ] - [ 0.0007781400000000, 0.0001420100000000, -0.0000308900000000 ] - [ 0.0004476200000000, 0.0019122500000000, -0.0008549600000000 ] - [ -0.0001326100000000, 0.0004433900000000, -0.0006706700000000 ] - [ -0.0065284200000000, 0.0070287300000000, -0.0016840200000000 ] - [ 0.0020469700000000, 0.0006152500000000, -0.0001022700000000 ] - [ 0.0005058600000000, 0.0026770300000000, 0.0001785900000000 ] - [ -0.0003609700000000, 0.0014453400000000, 0.0001033300000000 ] - [ -0.0012098100000000, -0.0030727600000000, -0.0013314600000000 ] - [ 0.0018455400000000, -0.0015865200000000, -0.0007190200000000 ] - [ 0.0000036000000000, 0.0017905700000000, -0.0002053100000000 ] - [ -0.0000723500000000, 0.0014451700000000, -0.0003399600000000 ] - [ -0.0095828900000000, 0.0059152500000000, 0.0075400600000000 ] - [ 0.0019174500000000, -0.0007368500000000, 0.0008804900000000 ] - [ 0.0004016500000000, 0.0024059200000000, -0.0006687600000000 ] - [ -0.0003041600000000, 0.0016172100000000, -0.0002168700000000 ] - [ 0.0028356000000000, -0.0020743600000000, 0.0071246100000000 ] - [ 0.0002984600000000, -0.0018134000000000, 0.0005016800000000 ] - [ -0.0001213200000000, 0.0019652200000000, 0.0001426200000000 ] - [ 0.0002008600000000, 0.0017149200000000, 0.0001721400000000 ] - [ 0.0039206600000000, 0.0019370000000000, -0.0037977800000000 ] - [ -0.0004224400000000, -0.0007415700000000, -0.0006472500000000 ] - [ -0.0004249600000000, 0.0016534100000000, 0.0006111500000000 ] - [ 0.0003649900000000, 0.0014353100000000, 0.0003763600000000 ] - [ 0.0006912200000000, -0.0048170500000000, 0.0002327600000000 ] - [ -0.0010714900000000, -0.0116788200000000, 0.0014940300000000 ] - [ 0.0002800800000000, 0.0016253000000000, 0.0002152200000000 ] - [ -0.0001411500000000, 0.0017280700000000, 0.0001694700000000 ] - [ 0.0014977300000000, -0.0030184000000000, -0.0002040400000000 ] - [ -0.0016444400000000, -0.0144057900000000, 0.0029747800000000 ] - [ 0.0000059700000000, 0.0012558800000000, 0.0001692700000000 ] - [ -0.0000980600000000, 0.0014801600000000, 0.0001589600000000 ] - [ -0.0029141200000000, -0.0047804800000000, -0.0017314000000000 ] - [ 0.0014759900000000, -0.0026625600000000, -0.0000895100000000 ] - [ 0.0000436300000000, 0.0019167800000000, 0.0000393000000000 ] - [ 0.0000756800000000, 0.0016217000000000, 0.0001478800000000 ] - [ -0.0409782100000000, -0.0727042900000000, 0.0096436400000000 ] - [ -0.0001126400000000, -0.0041756900000000, 0.0015727800000000 ] - [ -0.0001460500000000, 0.0024160200000000, 0.0002638600000000 ] - [ 0.0001332500000000, 0.0020668200000000, 0.0001275800000000 ] - [ 0.0012998300000000, 0.0036248000000000, 0.0010349900000000 ] - [ -0.0008475800000000, 0.0014663300000000, 0.0003769000000000 ] - [ -0.0037736000000000, 0.0037930000000000, -0.0027026700000000 ] - [ 0.0025993200000000, 0.0024948100000000, -0.0012371600000000 ] - [ -0.0005837100000000, -0.0009960500000000, 0.0003845900000000 ] - [ 0.0019066100000000, 0.0024954800000000, 0.0017880300000000 ] - [ 0.0007557500000000, 0.0015207600000000, -0.0001439300000000 ] - [ -0.0013477100000000, 0.0019964400000000, -0.0012468100000000 ] - [ -0.0032636300000000, -0.0044197700000000, -0.0074824900000000 ] - [ -0.0004106700000000, 0.0010529100000000, -0.0001951100000000 ] - [ 0.0001388400000000, -0.0016218700000000, -0.0002518800000000 ] - [ -0.0002350700000000, -0.0011011100000000, -0.0002336900000000 ] - [ 0.0002756800000000, -0.0001853600000000, -0.0012086600000000 ] - [ -0.0003344800000000, 0.0000061600000000, 0.0000278500000000 ] - [ -0.0002827500000000, -0.0009042900000000, 0.0001980300000000 ] - [ -0.0006612800000000, -0.0008333500000000, -0.0000348600000000 ] - [ -0.0000166700000000, 0.0018324200000000, 0.0009070800000000 ] - [ -0.0006839200000000, 0.0015161600000000, 0.0002223100000000 ] - [ 0.0004988900000000, -0.0004702900000000, -0.0000006400000000 ] - [ 0.0004540400000000, -0.0003578000000000, -0.0000162900000000 ] - [ 0.0700617300000000, 0.1041406900000000, -0.0272963200000000 ] - [ -0.0006385700000000, 0.0010105900000000, -0.0003789600000000 ] - [ -0.0004387200000000, -0.0009664900000000, 0.0000326400000000 ] - [ -0.0004343600000000, -0.0007845400000000, 0.0000472600000000 ] - [ 0.0005503700000000, -0.0020996700000000, 0.0008568400000000 ] - [ -0.0002460300000000, -0.0000041500000000, -0.0000552300000000 ] - [ 0.0005505500000000, -0.0013261000000000, -0.0002242500000000 ] - [ 0.0001207000000000, 0.0001139200000000, -0.0002905200000000 ] - [ 0.0020701200000000, 0.0036191700000000, 0.0005659000000000 ] - [ -0.0004653200000000, 0.0012321400000000, 0.0002708100000000 ] - [ -0.0001118400000000, -0.0009697700000000, 0.0000716300000000 ] - [ -0.0001681200000000, -0.0008282900000000, 0.0000616300000000 ] - [ -0.0056446900000000, -0.0102861600000000, 0.0128569000000000 ] - [ -0.0000146300000000, 0.0009852400000000, 0.0001509800000000 ] - [ 0.0000277800000000, -0.0010618100000000, 0.0001446400000000 ] - [ -0.0000802300000000, -0.0008069800000000, 0.0001615700000000 ] - [ 0.0018955700000000, -0.0025937600000000, 0.0033618300000000 ] - [ -0.0013237200000000, 0.0005612900000000, 0.0002166800000000 ] - [ 0.0003931500000000, -0.0013358100000000, -0.0005011900000000 ] - [ 0.0001083500000000, -0.0007611900000000, -0.0002463000000000 ] - [ 0.0014053200000000, 0.0013395600000000, 0.0006647200000000 ] - [ -0.0000226700000000, 0.0007190600000000, 0.0001604200000000 ] - [ 0.0000003300000000, -0.0007127200000000, -0.0002335900000000 ] - [ -0.0000236600000000, -0.0005499400000000, -0.0002510800000000 ] - [ -0.0087399600000000, -0.0141168000000000, -0.0056383300000000 ] - [ -0.0008476700000000, 0.0005685300000000, -0.0004549600000000 ] - [ 0.0001397100000000, -0.0014092900000000, -0.0000443500000000 ] - [ 0.0000075900000000, -0.0010858700000000, -0.0000684600000000 ] - [ -0.0005611000000000, -0.0025012000000000, -0.0001882600000000 ] - [ 0.0000143600000000, -0.0002275000000000, -0.0002400200000000 ] - [ 0.0009913800000000, -0.0021478300000000, 0.0001185900000000 ] - [ -0.0005900600000000, -0.0005561400000000, -0.0004345800000000 ] - [ -0.0000617600000000, -0.0013510500000000, -0.0012847000000000 ] - [ 0.0002559900000000, 0.0004968700000000, -0.0003588800000000 ] - [ 0.0005766800000000, -0.0012104000000000, 0.0002511800000000 ] - [ -0.0003328300000000, -0.0005390300000000, 0.0000328300000000 ] - [ 0.0032498700000000, 0.0083366200000000, -0.0028594600000000 ] - [ -0.0004177400000000, 0.0024797000000000, -0.0002477700000000 ] - [ -0.0001695700000000, -0.0010319800000000, 0.0000112600000000 ] - [ -0.0001593400000000, -0.0008145100000000, 0.0000309200000000 ] - [ -0.0032829900000000, 0.0047853100000000, -0.0014913900000000 ] - [ -0.0012980000000000, 0.0040325800000000, -0.0013312800000000 ] - [ 0.0001143700000000, -0.0006715500000000, 0.0001130100000000 ] - [ 0.0000567600000000, -0.0005875700000000, 0.0001660700000000 ] - [ 0.0041244500000000, -0.0007622400000000, 0.0014879700000000 ] - [ -0.0031616700000000, -0.0023771800000000, 0.0000179300000000 ] - [ -0.0003889700000000, -0.0013627800000000, -0.0000668800000000 ] - [ 0.0001063800000000, -0.0010663100000000, 0.0000274400000000 ] - [ 0.0002520600000000, 0.0010393000000000, -0.0004062600000000 ] - [ -0.0018424200000000, 0.0010385400000000, -0.0006249600000000 ] - [ -0.0001797100000000, -0.0006162000000000, 0.0003866300000000 ] - [ 0.0001072600000000, -0.0006162100000000, 0.0003887100000000 ] - [ -0.0059523800000000, -0.0016781600000000, 0.0033197300000000 ] - [ 0.0028785500000000, 0.0009814300000000, 0.0005912100000000 ] - [ -0.0001712200000000, -0.0011411700000000, 0.0001705700000000 ] - [ -0.0003873400000000, -0.0012576100000000, 0.0001385600000000 ] - [ 0.0009809300000000, 0.0005238700000000, 0.0007029000000000 ] - [ -0.0016012100000000, -0.0020610500000000, 0.0009189000000000 ] - [ -0.0002303300000000, -0.0009091900000000, -0.0003572500000000 ] - [ 0.0001635700000000, -0.0007406700000000, -0.0003048300000000 ] - [ -0.0004771100000000, -0.0008944500000000, -0.0000336000000000 ] - [ 0.0010964500000000, -0.0009578500000000, 0.0007118500000000 ] - [ 0.0014550000000000, -0.0012169800000000, -0.0007349400000000 ] - [ -0.0007150500000000, -0.0009013100000000, -0.0001715100000000 ] - [ -0.0000116400000000, 0.0020105900000000, -0.0001771900000000 ] - [ -0.0005236900000000, 0.0042345900000000, 0.0039587200000000 ] - [ -0.0001951000000000, -0.0006797100000000, 0.0001163400000000 ] - [ -0.0001930500000000, -0.0006672200000000, 0.0001044500000000 ] - [ -0.0006183300000000, -0.0008583100000000, -0.0002531200000000 ] - [ 0.0015636500000000, -0.0010210900000000, -0.0011208300000000 ] - [ 0.0008867900000000, -0.0008582200000000, 0.0003371900000000 ] - [ 0.0000845900000000, -0.0010207400000000, 0.0001222000000000 ] - [ -0.0013119400000000, -0.0006804700000000, 0.0005971500000000 ] - [ 0.0000766000000000, 0.0003378500000000, 0.0002713500000000 ] - [ -0.0002279900000000, 0.0001851700000000, -0.0000646200000000 ] - [ -0.0006133600000000, -0.0001564800000000, 0.0001393900000000 ] - [ -0.0009043300000000, 0.0010536800000000, 0.0007293000000000 ] - [ 0.0002654600000000, 0.0015938200000000, 0.0005494200000000 ] - [ 0.0005588300000000, -0.0008956100000000, 0.0000484300000000 ] - [ 0.0004723200000000, -0.0009299100000000, 0.0001453400000000 ] - [ -0.0011297500000000, 0.0003180900000000, -0.0003363800000000 ] - [ 0.0009624400000000, 0.0012982100000000, -0.0004982400000000 ] - [ 0.0001813400000000, -0.0010844800000000, 0.0003342600000000 ] - [ 0.0000611400000000, -0.0014365100000000, 0.0003417300000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002316100000000, -0.0007251600000000, -0.0008346800000000 ] - [ 0.0000840400000000, -0.0005102900000000, -0.0007298900000000 ] - [ -0.0005401700000000, 0.0019246100000000, -0.0019582500000000 ] - [ 0.0003664100000000, 0.0003275500000000, -0.0010530200000000 ] - [ -0.0002648300000000, 0.0017747300000000, 0.0046969700000000 ] - [ 0.0004491200000000, 0.0004104200000000, 0.0012300700000000 ] - [ -0.0001267300000000, 0.0002779300000000, 0.0013568100000000 ] - [ 0.0003706600000000, 0.0002663500000000, 0.0006768500000000 ] - [ -0.0006405700000000, 0.0000315000000000, -0.0049338600000000 ] - [ 0.0017851100000000, -0.0003478700000000, -0.0035639500000000 ] - [ 0.0000643100000000, 0.0004173700000000, -0.0005036700000000 ] - [ 0.0000231700000000, 0.0004097700000000, -0.0004445300000000 ] - [ 0.0029375400000000, -0.0089197200000000, 0.0026986800000000 ] - [ -0.0000017300000000, -0.0010330000000000, 0.0023332100000000 ] - [ 0.0001091300000000, 0.0008313800000000, 0.0002333900000000 ] - [ -0.0001186000000000, 0.0006724000000000, -0.0000187300000000 ] - [ -0.0018506600000000, -0.0032746500000000, -0.0031544300000000 ] - [ 0.0012027700000000, -0.0018334800000000, -0.0008728400000000 ] - [ -0.0000489300000000, 0.0009653600000000, 0.0002124300000000 ] - [ 0.0001347500000000, 0.0011058300000000, 0.0001554200000000 ] - [ 0.0033156500000000, 0.0026837800000000, -0.0030541200000000 ] - [ -0.0012688800000000, 0.0012561500000000, -0.0002084800000000 ] - [ 0.0001478100000000, -0.0004693000000000, -0.0002003200000000 ] - [ -0.0000797500000000, -0.0001735700000000, -0.0001381300000000 ] - [ -0.0016086600000000, 0.0004771100000000, 0.0002429900000000 ] - [ -0.0066455300000000, -0.0046275400000000, 0.0192451500000000 ] - [ 0.0000197000000000, 0.0002177000000000, 0.0002520100000000 ] - [ 0.0000410000000000, 0.0002551700000000, 0.0002830000000000 ] - [ 0.0040919600000000, 0.0004369700000000, -0.0009171100000000 ] - [ 0.0010611100000000, -0.0004404600000000, 0.0098659000000000 ] - [ -0.0000062200000000, 0.0000857600000000, 0.0002259700000000 ] - [ -0.0000820200000000, 0.0001625600000000, 0.0001923200000000 ] - [ 0.0013147500000000, -0.0036688700000000, -0.0108543000000000 ] - [ 0.0001117500000000, -0.0008465500000000, -0.0028339000000000 ] - [ -0.0000510100000000, 0.0004324900000000, -0.0003021600000000 ] - [ 0.0000906400000000, 0.0002892100000000, -0.0001927100000000 ] - [ -0.0100047500000000, -0.0102545200000000, 0.0409744900000000 ] - [ 0.0006403500000000, -0.0007783800000000, 0.0078656300000000 ] - [ -0.0000388100000000, 0.0005073100000000, 0.0004905400000000 ] - [ -0.0000574700000000, 0.0005504500000000, 0.0004601200000000 ] - [ -0.0000875500000000, -0.0004447800000000, 0.0001794100000000 ] - [ -0.0000721000000000, 0.0001205500000000, 0.0002163900000000 ] - [ -0.0032481300000000, 0.0037134100000000, 0.0016172700000000 ] - [ 0.0034027300000000, 0.0038935700000000, 0.0017024000000000 ] - [ 0.0009523400000000, -0.0012421700000000, -0.0012658000000000 ] - [ -0.0013591200000000, -0.0039813000000000, -0.0038134500000000 ] - [ 0.0002231500000000, 0.0007067300000000, -0.0002646800000000 ] - [ -0.0007823900000000, 0.0010892000000000, -0.0007103300000000 ] - [ 0.0018047900000000, 0.0085768400000000, 0.0042462600000000 ] - [ -0.0008791000000000, 0.0009093000000000, 0.0000083000000000 ] - [ -0.0000567700000000, -0.0008371600000000, -0.0002792100000000 ] - [ -0.0001744400000000, -0.0005536400000000, -0.0002013800000000 ] - [ -0.0006932100000000, 0.0001805700000000, 0.0021397500000000 ] - [ -0.0006650300000000, -0.0001829700000000, 0.0007671500000000 ] - [ -0.0003637000000000, -0.0004705600000000, 0.0003635800000000 ] - [ -0.0004324700000000, -0.0004257200000000, 0.0001151300000000 ] - [ -0.0018409200000000, 0.0005379000000000, 0.0067954400000000 ] - [ -0.0003917900000000, 0.0008069700000000, 0.0018177600000000 ] - [ 0.0002534600000000, 0.0001575300000000, 0.0000604200000000 ] - [ 0.0002315400000000, 0.0001877600000000, 0.0000402500000000 ] - [ 0.0353565400000000, 0.0276050300000000, -0.0943398000000000 ] - [ -0.0001340500000000, 0.0001965400000000, -0.0022862100000000 ] - [ -0.0002412300000000, -0.0002157100000000, -0.0002062100000000 ] - [ -0.0002484900000000, -0.0002302000000000, -0.0001780900000000 ] - [ 0.0005642100000000, -0.0016038600000000, 0.0001463100000000 ] - [ 0.0001293100000000, -0.0001340700000000, -0.0001665500000000 ] - [ -0.0003481300000000, 0.0018613800000000, -0.0000413500000000 ] - [ -0.0002005000000000, 0.0004769700000000, -0.0001503300000000 ] - [ 0.0010756000000000, 0.0030905000000000, 0.0076838700000000 ] - [ -0.0003300900000000, 0.0003689000000000, 0.0009199100000000 ] - [ -0.0000540100000000, -0.0002426800000000, 0.0001898500000000 ] - [ -0.0001008700000000, -0.0002346300000000, 0.0001920200000000 ] - [ -0.0061808300000000, -0.0162363200000000, 0.0054572300000000 ] - [ -0.0001026700000000, -0.0007925800000000, -0.0006565700000000 ] - [ 0.0000436300000000, -0.0000450200000000, -0.0000423900000000 ] - [ 0.0000264900000000, -0.0001188100000000, 0.0000291900000000 ] - [ 0.0033413700000000, -0.0049901500000000, 0.0026467100000000 ] - [ -0.0009035100000000, -0.0002637900000000, 0.0001190300000000 ] - [ 0.0000081100000000, -0.0001765100000000, -0.0001691300000000 ] - [ 0.0000438600000000, -0.0002503400000000, -0.0001870100000000 ] - [ 0.0001376400000000, 0.0008585600000000, 0.0024437000000000 ] - [ 0.0003666900000000, 0.0003428300000000, 0.0009042600000000 ] - [ 0.0002738000000000, -0.0000537500000000, 0.0001942200000000 ] - [ 0.0001672900000000, -0.0000716600000000, 0.0001194500000000 ] - [ 0.0025138400000000, 0.0078850400000000, -0.0048241700000000 ] - [ -0.0009950900000000, 0.0006215300000000, -0.0011983500000000 ] - [ -0.0001910500000000, -0.0005825600000000, -0.0002567900000000 ] - [ -0.0002526800000000, -0.0005675000000000, -0.0002528000000000 ] - [ -0.0000992800000000, 0.0005173300000000, -0.0006836400000000 ] - [ 0.0000659300000000, 0.0000819200000000, -0.0004347500000000 ] - [ 0.0004294000000000, -0.0003068100000000, -0.0019794800000000 ] - [ -0.0006691100000000, -0.0004900700000000, -0.0011012800000000 ] - [ 0.0000260600000000, 0.0009279100000000, -0.0000043300000000 ] - [ 0.0001010400000000, 0.0006721500000000, -0.0002337700000000 ] - [ 0.0006336000000000, -0.0011230800000000, -0.0000985500000000 ] - [ -0.0006874700000000, -0.0009577400000000, -0.0000932500000000 ] - [ -0.0243035900000000, 0.0000260100000000, 0.0071087900000000 ] - [ 0.0038371500000000, 0.0008017300000000, -0.0027793500000000 ] - [ -0.0001525000000000, -0.0000282100000000, 0.0000886100000000 ] - [ -0.0001143000000000, -0.0000167700000000, 0.0000810900000000 ] - [ 0.0068766200000000, 0.0032714800000000, -0.0015617200000000 ] - [ -0.0071912000000000, 0.0041241200000000, -0.0030699500000000 ] - [ -0.0001746600000000, 0.0000253600000000, -0.0000074100000000 ] - [ -0.0001845100000000, -0.0000036600000000, -0.0000110800000000 ] - [ 0.0013139900000000, -0.0009297900000000, -0.0018830300000000 ] - [ -0.0032875200000000, -0.0031520600000000, -0.0029017600000000 ] - [ 0.0001449000000000, -0.0003983400000000, -0.0001301500000000 ] - [ 0.0001395600000000, -0.0004608900000000, -0.0000854700000000 ] - [ -0.0005361200000000, 0.0008089900000000, 0.0015611300000000 ] - [ 0.0014072200000000, 0.0005809900000000, 0.0015534300000000 ] - [ -0.0001327300000000, -0.0002097400000000, 0.0002173900000000 ] - [ -0.0000555000000000, -0.0002067100000000, 0.0002172500000000 ] - [ -0.0021566000000000, -0.0019373000000000, -0.0016584300000000 ] - [ 0.0020855500000000, -0.0010597100000000, -0.0018102100000000 ] - [ -0.0000876200000000, -0.0003140900000000, -0.0000006200000000 ] - [ -0.0000338800000000, -0.0003061700000000, -0.0000051800000000 ] - [ 0.0007672900000000, -0.0001124000000000, 0.0003600600000000 ] - [ -0.0038885800000000, -0.0066094700000000, 0.0029067700000000 ] - [ 0.0000025400000000, 0.0000186300000000, -0.0000860800000000 ] - [ -0.0000385200000000, -0.0000513200000000, -0.0001333300000000 ] - [ -0.0002044800000000, -0.0004951900000000, -0.0002833900000000 ] - [ 0.0001935400000000, -0.0003034400000000, -0.0002677700000000 ] - [ -0.0006969300000000, 0.0009482900000000, -0.0000876400000000 ] - [ 0.0007614200000000, 0.0009725800000000, -0.0005654100000000 ] - [ 0.0006070500000000, 0.0005895500000000, 0.0012398100000000 ] - [ -0.0012297500000000, 0.0035524800000000, 0.0057436400000000 ] - [ -0.0000267500000000, 0.0000051200000000, 0.0002355600000000 ] - [ -0.0000484900000000, -0.0000685000000000, 0.0002304000000000 ] - [ 0.0004617600000000, 0.0001510000000000, -0.0001258500000000 ] - [ 0.0004447900000000, -0.0000623500000000, -0.0005399900000000 ] - [ 0.0004394100000000, -0.0004304500000000, -0.0001263500000000 ] - [ 0.0005857200000000, -0.0013119900000000, -0.0005392100000000 ] - [ -0.0010143200000000, -0.0004377000000000, 0.0007161500000000 ] - [ -0.0002977000000000, -0.0001188500000000, 0.0005022100000000 ] - [ -0.0004193600000000, 0.0005432100000000, 0.0006288400000000 ] - [ -0.0002402800000000, 0.0005302200000000, 0.0009811400000000 ] - [ -0.0005382900000000, -0.0000572700000000, 0.0016731200000000 ] - [ 0.0011833900000000, -0.0045981100000000, 0.0069832900000000 ] - [ 0.0001404300000000, -0.0001911300000000, 0.0002812200000000 ] - [ 0.0002115600000000, -0.0002711800000000, 0.0002923400000000 ] - [ 0.0007216900000000, 0.0001681500000000, 0.0009568400000000 ] - [ -0.0000821300000000, 0.0010561600000000, 0.0014974100000000 ] - [ 0.0001338900000000, -0.0005628400000000, 0.0003201600000000 ] - [ 0.0001322000000000, -0.0008957000000000, 0.0003641900000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001529000000000, 0.0002494500000000, 0.0004286300000000 ] - [ 0.0000160300000000, 0.0000439500000000, 0.0003172700000000 ] - [ 0.0006202800000000, -0.0023692900000000, 0.0015357500000000 ] - [ -0.0002667100000000, -0.0007931500000000, 0.0006350700000000 ] - [ 0.0001776300000000, -0.0017888700000000, -0.0051227900000000 ] - [ -0.0004527800000000, -0.0004630000000000, -0.0016165300000000 ] - [ 0.0000853800000000, -0.0003319600000000, -0.0017387800000000 ] - [ -0.0003903500000000, -0.0003244200000000, -0.0010603900000000 ] - [ 0.0006320400000000, 0.0000344200000000, 0.0045323000000000 ] - [ -0.0017169400000000, 0.0004069000000000, 0.0031622600000000 ] - [ -0.0000361200000000, -0.0003468200000000, 0.0001186700000000 ] - [ 0.0000079700000000, -0.0003418000000000, 0.0000577100000000 ] - [ -0.0030108900000000, 0.0092894300000000, -0.0031793200000000 ] - [ -0.0000680200000000, 0.0015117500000000, -0.0027347700000000 ] - [ -0.0001992000000000, -0.0003506700000000, -0.0006552600000000 ] - [ 0.0000271100000000, -0.0001974000000000, -0.0003976800000000 ] - [ 0.0019263500000000, 0.0037261300000000, 0.0036619200000000 ] - [ -0.0010917900000000, 0.0022780000000000, 0.0012871500000000 ] - [ 0.0001380400000000, -0.0004881000000000, 0.0002044900000000 ] - [ -0.0000408500000000, -0.0006245000000000, 0.0002596300000000 ] - [ -0.0033474100000000, -0.0026127500000000, 0.0034119000000000 ] - [ 0.0012527400000000, -0.0012135600000000, 0.0005867200000000 ] - [ -0.0001822900000000, 0.0005335000000000, 0.0005832400000000 ] - [ 0.0000541100000000, 0.0002445100000000, 0.0005225200000000 ] - [ 0.0016958700000000, -0.0005857200000000, 0.0001684700000000 ] - [ 0.0058382800000000, 0.0040550000000000, -0.0178737400000000 ] - [ 0.0000140100000000, -0.0002718800000000, 0.0001346100000000 ] - [ -0.0000136700000000, -0.0003087000000000, 0.0001033300000000 ] - [ -0.0041234300000000, -0.0009126600000000, 0.0013170200000000 ] - [ -0.0018090400000000, 0.0000814100000000, -0.0104727200000000 ] - [ -0.0000836900000000, -0.0005495300000000, 0.0001884500000000 ] - [ -0.0000105800000000, -0.0006251600000000, 0.0002214000000000 ] - [ -0.0012762600000000, 0.0033569200000000, 0.0111241200000000 ] - [ -0.0000268800000000, 0.0005866000000000, 0.0031126700000000 ] - [ 0.0001083300000000, -0.0006676100000000, 0.0005757900000000 ] - [ -0.0000284100000000, -0.0005280800000000, 0.0004679500000000 ] - [ 0.0100835600000000, 0.0106229300000000, -0.0406780000000000 ] - [ -0.0006650900000000, 0.0009850000000000, -0.0075802500000000 ] - [ -0.0000220900000000, -0.0002519200000000, -0.0002144700000000 ] - [ -0.0000002900000000, -0.0002943600000000, -0.0001836700000000 ] - [ 0.0001554300000000, 0.0007207400000000, -0.0004470900000000 ] - [ 0.0001281800000000, 0.0001294800000000, -0.0004880300000000 ] - [ 0.0032666400000000, -0.0034710400000000, -0.0018464700000000 ] - [ -0.0032971200000000, -0.0035988500000000, -0.0019752800000000 ] - [ -0.0009938700000000, 0.0009888500000000, 0.0009829300000000 ] - [ 0.0012825000000000, 0.0037417600000000, 0.0035270400000000 ] - [ -0.0002760100000000, -0.0009463900000000, -0.0000124100000000 ] - [ 0.0007149300000000, -0.0013317800000000, 0.0004252900000000 ] - [ -0.0020624100000000, -0.0090714600000000, -0.0045775900000000 ] - [ 0.0006015400000000, -0.0013378600000000, -0.0003266600000000 ] - [ -0.0002053600000000, 0.0003953800000000, -0.0000379900000000 ] - [ -0.0000915800000000, 0.0001128700000000, -0.0001175800000000 ] - [ 0.0002372800000000, -0.0005616400000000, -0.0023711200000000 ] - [ 0.0001955800000000, -0.0001985400000000, -0.0009974600000000 ] - [ -0.0000947400000000, 0.0000901600000000, -0.0005989500000000 ] - [ -0.0000308800000000, 0.0000433500000000, -0.0003510500000000 ] - [ 0.0023084200000000, 0.0001405400000000, -0.0068925300000000 ] - [ 0.0008197700000000, -0.0001190500000000, -0.0018986600000000 ] - [ 0.0001907500000000, 0.0005188400000000, -0.0001467400000000 ] - [ 0.0002115300000000, 0.0004891700000000, -0.0001264500000000 ] - [ -0.0344876600000000, -0.0273844000000000, 0.0942310200000000 ] - [ -0.0003030800000000, -0.0003389300000000, 0.0020700900000000 ] - [ -0.0001670900000000, 0.0000695500000000, -0.0000133700000000 ] - [ -0.0001610900000000, 0.0000845200000000, -0.0000413500000000 ] - [ -0.0005863400000000, 0.0020335800000000, -0.0004476200000000 ] - [ -0.0001592900000000, 0.0005716600000000, -0.0001397700000000 ] - [ 0.0003349500000000, -0.0014290500000000, -0.0002615000000000 ] - [ 0.0001694600000000, -0.0000425200000000, -0.0001581500000000 ] - [ -0.0011214400000000, -0.0030366400000000, -0.0073497900000000 ] - [ 0.0002332000000000, -0.0003622600000000, -0.0006481300000000 ] - [ -0.0000281200000000, 0.0002393000000000, 0.0000836700000000 ] - [ 0.0000164400000000, 0.0002323700000000, 0.0000820200000000 ] - [ 0.0063030200000000, 0.0164118000000000, -0.0051861800000000 ] - [ 0.0001727400000000, 0.0007954300000000, 0.0009294800000000 ] - [ 0.0000399600000000, 0.0000388200000000, 0.0003165900000000 ] - [ 0.0000549100000000, 0.0001131200000000, 0.0002456800000000 ] - [ -0.0032720300000000, 0.0045043000000000, -0.0029429200000000 ] - [ 0.0009008200000000, -0.0001632500000000, -0.0004259200000000 ] - [ 0.0000202600000000, -0.0002664900000000, -0.0001423000000000 ] - [ -0.0000204000000000, -0.0001869900000000, -0.0001217700000000 ] - [ 0.0002938000000000, -0.0006940800000000, -0.0026611000000000 ] - [ 0.0000314200000000, -0.0001979400000000, -0.0011238200000000 ] - [ 0.0001357400000000, 0.0001934000000000, -0.0004130500000000 ] - [ 0.0002379700000000, 0.0002103800000000, -0.0003398000000000 ] - [ -0.0029893100000000, -0.0086478400000000, 0.0046739400000000 ] - [ 0.0005354900000000, -0.0012901100000000, 0.0011082600000000 ] - [ -0.0002492100000000, -0.0001017300000000, 0.0001689800000000 ] - [ -0.0001906400000000, -0.0001170000000000, 0.0001644000000000 ] - [ 0.0005565900000000, -0.0001599300000000, 0.0004502200000000 ] - [ 0.0003914400000000, 0.0002948300000000, 0.0001968300000000 ] - [ 0.0000410500000000, 0.0006955600000000, 0.0017299800000000 ] - [ 0.0011151500000000, 0.0008576300000000, 0.0008605700000000 ] - [ 0.0002385400000000, -0.0005074400000000, -0.0003256900000000 ] - [ 0.0001620500000000, -0.0002296100000000, -0.0000858000000000 ] - [ -0.0003601800000000, 0.0015493400000000, -0.0002229300000000 ] - [ 0.0009416100000000, 0.0013832900000000, -0.0002232900000000 ] - [ 0.0242393200000000, 0.0003801600000000, -0.0067613400000000 ] - [ -0.0041482600000000, -0.0003597100000000, 0.0031170200000000 ] - [ -0.0001123200000000, 0.0004596000000000, 0.0002288700000000 ] - [ -0.0001504200000000, 0.0004494700000000, 0.0002362900000000 ] - [ -0.0073787700000000, -0.0028942800000000, 0.0017345800000000 ] - [ 0.0066884200000000, -0.0036950700000000, 0.0032746100000000 ] - [ -0.0002849800000000, 0.0003503800000000, 0.0002419700000000 ] - [ -0.0002750200000000, 0.0003786600000000, 0.0002459000000000 ] - [ -0.0008815700000000, 0.0002814000000000, 0.0019439800000000 ] - [ 0.0036926100000000, 0.0024344300000000, 0.0029607800000000 ] - [ 0.0002941600000000, -0.0002887000000000, 0.0002157000000000 ] - [ 0.0003028500000000, -0.0002225700000000, 0.0001712400000000 ] - [ 0.0001229600000000, -0.0006577800000000, -0.0013260600000000 ] - [ -0.0018159600000000, -0.0004474500000000, -0.0013338600000000 ] - [ -0.0002752500000000, 0.0003486800000000, 0.0000038200000000 ] - [ -0.0003514800000000, 0.0003474500000000, 0.0000036700000000 ] - [ 0.0020768700000000, 0.0014617900000000, 0.0020097000000000 ] - [ -0.0020961500000000, 0.0006454500000000, 0.0021281600000000 ] - [ 0.0000614600000000, -0.0001250300000000, 0.0003079800000000 ] - [ 0.0000082300000000, -0.0001348500000000, 0.0003127100000000 ] - [ -0.0008387600000000, 0.0001142200000000, -0.0006440700000000 ] - [ 0.0037675500000000, 0.0065330100000000, -0.0031382500000000 ] - [ -0.0000867100000000, -0.0000268400000000, -0.0001911000000000 ] - [ -0.0000430300000000, 0.0000473100000000, -0.0001429700000000 ] - [ 0.0002840000000000, 0.0004916000000000, 0.0000107600000000 ] - [ -0.0001033400000000, 0.0003017800000000, 0.0000007500000000 ] - [ 0.0007699700000000, -0.0009371800000000, -0.0001838600000000 ] - [ -0.0006789500000000, -0.0009793600000000, 0.0002912100000000 ] - [ -0.0005816000000000, -0.0001415500000000, -0.0009462700000000 ] - [ 0.0012358100000000, -0.0030869000000000, -0.0053982100000000 ] - [ 0.0000505600000000, 0.0004266400000000, 0.0000712700000000 ] - [ 0.0000723600000000, 0.0004994500000000, 0.0000763400000000 ] - [ -0.0000606700000000, -0.0003018900000000, 0.0003417300000000 ] - [ -0.0000277400000000, -0.0000839400000000, 0.0007518400000000 ] - [ -0.0000343000000000, 0.0002945800000000, 0.0003413000000000 ] - [ -0.0001719400000000, 0.0011533500000000, 0.0007526900000000 ] - [ 0.0005684700000000, 0.0011158500000000, -0.0006284200000000 ] - [ -0.0001421700000000, 0.0008045400000000, -0.0004158300000000 ] - [ -0.0000261300000000, 0.0001375900000000, -0.0005395900000000 ] - [ -0.0002024000000000, 0.0001443800000000, -0.0008913500000000 ] - [ 0.0009910800000000, -0.0003197300000000, -0.0014301300000000 ] - [ -0.0007233000000000, 0.0042837400000000, -0.0067852000000000 ] - [ 0.0003205300000000, -0.0001901300000000, -0.0000459100000000 ] - [ 0.0002501500000000, -0.0001121300000000, -0.0000564200000000 ] - [ -0.0004718800000000, -0.0006049800000000, -0.0006479800000000 ] - [ 0.0003504300000000, -0.0014679700000000, -0.0011923000000000 ] - [ 0.0001297300000000, 0.0001223700000000, -0.0000020300000000 ] - [ 0.0001322400000000, 0.0004489700000000, -0.0000450900000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0042908600000000, -0.0011326100000000, -0.0044101700000000 ] - [ -0.0023813700000000, -0.0010306600000000, 0.0014312600000000 ] - [ 0.0001450800000000, 0.0002632100000000, -0.0002097600000000 ] - [ -0.0000560800000000, 0.0001872700000000, -0.0001329400000000 ] - [ 0.0174697200000000, -0.0016850200000000, -0.0013819200000000 ] - [ -0.0053112200000000, 0.0001510200000000, -0.0025047700000000 ] - [ 0.0002608700000000, 0.0005881600000000, -0.0001103400000000 ] - [ -0.0003575000000000, 0.0003306800000000, -0.0002608300000000 ] - [ 0.0004898800000000, 0.0008274600000000, -0.0001242700000000 ] - [ -0.0006306700000000, 0.0003216500000000, 0.0001731300000000 ] - [ 0.0031618800000000, -0.0001994600000000, 0.0006020500000000 ] - [ -0.0024866400000000, 0.0010567900000000, -0.0015395100000000 ] - [ 0.0001827600000000, 0.0010426400000000, -0.0002786200000000 ] - [ -0.0002920600000000, 0.0003715700000000, -0.0003106700000000 ] - [ 0.0071425300000000, -0.0103001000000000, -0.0031702400000000 ] - [ -0.0068640000000000, 0.0062046700000000, 0.0011998700000000 ] - [ 0.0006827200000000, 0.0000889600000000, 0.0011515600000000 ] - [ -0.0008497300000000, -0.0010227000000000, 0.0001337400000000 ] - [ 0.0003072600000000, 0.0004636300000000, 0.0000831800000000 ] - [ -0.0001919000000000, 0.0007943600000000, 0.0002892100000000 ] - [ 0.0091582000000000, -0.0033511700000000, 0.0014630400000000 ] - [ -0.0076421500000000, -0.0076228800000000, -0.0014923300000000 ] - [ 0.0003226300000000, 0.0003264000000000, 0.0003888200000000 ] - [ -0.0003613300000000, 0.0007796400000000, 0.0001117100000000 ] - [ -0.0005157300000000, 0.0004808700000000, 0.0003702200000000 ] - [ 0.0006526500000000, -0.0000824400000000, 0.0000614700000000 ] - [ -0.0013403000000000, -0.0006044400000000, -0.0001880400000000 ] - [ 0.0011294300000000, 0.0005227000000000, 0.0005702200000000 ] - [ -0.0016966400000000, 0.0012547300000000, -0.0010275300000000 ] - [ 0.0018697000000000, -0.0005334400000000, 0.0004719600000000 ] - [ -0.0014911300000000, -0.0010961800000000, 0.0001184500000000 ] - [ 0.0003161400000000, 0.0036014300000000, 0.0000658600000000 ] - [ 0.0040530500000000, -0.0005009300000000, -0.0000537100000000 ] - [ -0.0039316200000000, -0.0000562700000000, 0.0042376400000000 ] - [ 0.0005665500000000, 0.0007877900000000, -0.0005442400000000 ] - [ -0.0004460700000000, 0.0000958300000000, 0.0003914300000000 ] - [ 0.0015205100000000, 0.0020964700000000, -0.0034818100000000 ] - [ -0.0023800000000000, -0.0015960800000000, 0.0009429600000000 ] - [ 0.0018021200000000, -0.0006314000000000, -0.0010335800000000 ] - [ -0.0011034300000000, 0.0014139200000000, 0.0008452000000000 ] - [ 0.0004809800000000, -0.0001577100000000, -0.0031497300000000 ] - [ -0.0020061700000000, 0.0002129900000000, 0.0015380000000000 ] - [ 0.0001694700000000, 0.0007223100000000, -0.0001866900000000 ] - [ -0.0001118500000000, 0.0005847600000000, -0.0000654200000000 ] - [ -0.0002252800000000, 0.0006587200000000, -0.0001342200000000 ] - [ 0.0001549300000000, 0.0004352200000000, -0.0001387000000000 ] - [ -0.0101291400000000, -0.0046466400000000, 0.0026622800000000 ] - [ 0.0707836600000000, -0.0270579000000000, 0.0193554500000000 ] - [ -0.0002686100000000, -0.0004021000000000, -0.0001983700000000 ] - [ 0.0000608900000000, -0.0007889900000000, -0.0001534900000000 ] - [ -0.0043849900000000, -0.0119303200000000, -0.0005586300000000 ] - [ 0.0032652200000000, 0.0011561900000000, 0.0006604500000000 ] - [ -0.0004253600000000, -0.0004608600000000, -0.0000903300000000 ] - [ -0.0002137200000000, -0.0004613600000000, -0.0001820700000000 ] - [ -0.0060042400000000, -0.0003299300000000, -0.0000703800000000 ] - [ 0.0021441800000000, 0.0008249800000000, -0.0006050700000000 ] - [ -0.0004842400000000, 0.0002091900000000, -0.0000011000000000 ] - [ 0.0019884300000000, -0.0008795800000000, -0.0004552200000000 ] - [ -0.0003507800000000, -0.0000670300000000, 0.0006446300000000 ] - [ 0.0008507000000000, 0.0001854500000000, -0.0002879100000000 ] - [ -0.0008047600000000, -0.0006304900000000, 0.0004631900000000 ] - [ 0.0003948700000000, 0.0001621900000000, 0.0000357400000000 ] - [ -0.0015846400000000, -0.0006368200000000, -0.0004528600000000 ] - [ 0.0006142900000000, -0.0002010400000000, -0.0002935400000000 ] - [ -0.1434764100000000, 0.0661610300000000, -0.0198369500000000 ] - [ 0.0061131000000000, -0.0006395300000000, 0.0001397400000000 ] - [ -0.0000850400000000, -0.0000226400000000, -0.0001514100000000 ] - [ 0.0002088000000000, -0.0001187500000000, -0.0001226400000000 ] - [ -0.0005733800000000, -0.0002863600000000, -0.0001775600000000 ] - [ 0.0005046600000000, 0.0001997400000000, -0.0001180300000000 ] - [ -0.0004468000000000, -0.0000398400000000, 0.0002436300000000 ] - [ 0.0003311900000000, -0.0002696700000000, 0.0002597400000000 ] - [ -0.0041465500000000, -0.0040069900000000, 0.0029969200000000 ] - [ 0.0019007300000000, 0.0006809500000000, -0.0002936600000000 ] - [ -0.0007999400000000, -0.0002826700000000, -0.0000364600000000 ] - [ 0.0005083400000000, -0.0002510100000000, 0.0002608700000000 ] - [ -0.0000822700000000, -0.0004225400000000, -0.0001848500000000 ] - [ 0.0001689900000000, -0.0004580800000000, -0.0001979300000000 ] - [ -0.0014575300000000, 0.0003935600000000, 0.0013517700000000 ] - [ 0.0010627800000000, -0.0002394800000000, -0.0004319100000000 ] - [ -0.0037291600000000, -0.0018073400000000, -0.0034201800000000 ] - [ 0.0028146500000000, 0.0014066800000000, 0.0007867000000000 ] - [ -0.0001239000000000, -0.0003123000000000, -0.0001037500000000 ] - [ 0.0003687000000000, -0.0000246500000000, -0.0001422300000000 ] - [ -0.0027041400000000, 0.0012121300000000, 0.0001329500000000 ] - [ 0.0008367800000000, -0.0004481300000000, 0.0001236200000000 ] - [ -0.0003677800000000, -0.0005691300000000, -0.0001039100000000 ] - [ 0.0000191800000000, -0.0005995500000000, -0.0000520100000000 ] - [ -0.0013426900000000, 0.0001396000000000, 0.0047781300000000 ] - [ 0.0023531900000000, 0.0009666900000000, -0.0009564000000000 ] - [ 0.0000518300000000, -0.0001015300000000, -0.0001009600000000 ] - [ 0.0002629700000000, 0.0000442600000000, -0.0001127500000000 ] - [ -0.0012978100000000, 0.0005819400000000, 0.0004207400000000 ] - [ 0.0016160800000000, 0.0006494300000000, -0.0002502000000000 ] - [ 0.0000676700000000, -0.0000542700000000, -0.0001040500000000 ] - [ 0.0002087500000000, -0.0000966700000000, -0.0001496400000000 ] - [ -0.0002542500000000, -0.0009160200000000, 0.0002431800000000 ] - [ 0.0000011800000000, 0.0009235500000000, 0.0004129300000000 ] - [ -0.0003526800000000, 0.0042724000000000, 0.0000519200000000 ] - [ 0.0003023600000000, -0.0014877700000000, -0.0003108000000000 ] - [ -0.0004663300000000, -0.0000717600000000, 0.0006339200000000 ] - [ -0.0001347300000000, 0.0006293500000000, -0.0002237500000000 ] - [ -0.0003184300000000, 0.0003913600000000, 0.0003780900000000 ] - [ -0.0001196900000000, -0.0001872100000000, -0.0001237500000000 ] - [ 0.0001433000000000, -0.0006163500000000, 0.0001164400000000 ] - [ 0.0001841100000000, -0.0004194300000000, 0.0000307700000000 ] - [ 0.0012315600000000, -0.0002713500000000, 0.0026647700000000 ] - [ 0.0003905300000000, -0.0008328000000000, -0.0012549500000000 ] - [ -0.0001271700000000, -0.0003043000000000, 0.0001313300000000 ] - [ -0.0001585900000000, -0.0000888300000000, 0.0001849300000000 ] - [ 0.0010920100000000, 0.0029803800000000, -0.0019881000000000 ] - [ 0.0048725600000000, -0.0058668400000000, 0.0022259600000000 ] - [ 0.0010176400000000, -0.0022454500000000, 0.0033837800000000 ] - [ 0.0010308600000000, 0.0026025500000000, -0.0005821200000000 ] - [ 0.0000814300000000, 0.0002657000000000, 0.0002639300000000 ] - [ 0.0000851400000000, -0.0010526800000000, -0.0000589500000000 ] - [ -0.0000420800000000, -0.0003202100000000, -0.0001804000000000 ] - [ 0.0000516800000000, -0.0002050900000000, -0.0002194900000000 ] - [ -0.0001502800000000, 0.0003958100000000, 0.0002465700000000 ] - [ 0.0001663300000000, -0.0005074000000000, 0.0001301300000000 ] - [ 0.0155962100000000, 0.0032766500000000, 0.0022796700000000 ] - [ 0.0299092400000000, -0.0068947600000000, -0.0050254900000000 ] - [ 0.0001110500000000, -0.0002710900000000, -0.0001204400000000 ] - [ 0.0000097200000000, -0.0002851600000000, -0.0000961000000000 ] - [ -0.0001361500000000, -0.0004980300000000, -0.0007862200000000 ] - [ -0.0000422700000000, 0.0007207800000000, 0.0002831500000000 ] - [ -0.0001368000000000, 0.0001843200000000, 0.0001111600000000 ] - [ -0.0000410900000000, -0.0001826400000000, 0.0003565700000000 ] - [ 0.0004717000000000, -0.0000925400000000, 0.0007058900000000 ] - [ 0.0013223400000000, -0.0006190300000000, -0.0011353600000000 ] - [ 0.0002723400000000, -0.0002796000000000, 0.0000712100000000 ] - [ 0.0002508100000000, -0.0002775400000000, 0.0000491500000000 ] - [ 0.0042128600000000, 0.0025308500000000, -0.0027761400000000 ] - [ 0.0043389000000000, 0.0001780200000000, 0.0080084900000000 ] - [ -0.0002722500000000, 0.0001063300000000, 0.0000041600000000 ] - [ -0.0003379200000000, 0.0000627000000000, 0.0000538000000000 ] - [ 0.0084314100000000, -0.0062658100000000, -0.0051383600000000 ] - [ -0.0010677200000000, 0.0017618800000000, 0.0008316200000000 ] - [ 0.0003942200000000, -0.0001981000000000, -0.0000707200000000 ] - [ 0.0003767100000000, -0.0008004200000000, 0.0006109100000000 ] - [ 0.0007521500000000, -0.0000210300000000, -0.0004644800000000 ] - [ -0.0010577900000000, 0.0013542200000000, 0.0000093400000000 ] - [ 0.0002002300000000, -0.0004464400000000, 0.0001621600000000 ] - [ 0.0000418500000000, -0.0006033100000000, 0.0002886800000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0042314000000000, 0.0006254000000000, 0.0039847100000000 ] - [ 0.0024704800000000, 0.0005523100000000, -0.0018277500000000 ] - [ -0.0000543700000000, -0.0007283900000000, -0.0002055400000000 ] - [ 0.0001479200000000, -0.0006527600000000, -0.0002816300000000 ] - [ -0.0176161400000000, 0.0015554400000000, 0.0012095200000000 ] - [ 0.0052729700000000, -0.0002068300000000, 0.0020928000000000 ] - [ -0.0002923900000000, -0.0006445400000000, -0.0002749700000000 ] - [ 0.0003281200000000, -0.0003895600000000, -0.0001255100000000 ] - [ -0.0004550900000000, -0.0007593500000000, -0.0002605200000000 ] - [ 0.0006549000000000, -0.0002529300000000, -0.0005559700000000 ] - [ -0.0030819400000000, 0.0002860800000000, -0.0009907200000000 ] - [ 0.0025024800000000, -0.0010014900000000, 0.0011567000000000 ] - [ -0.0002720100000000, -0.0005702100000000, -0.0001384600000000 ] - [ 0.0001984200000000, 0.0001022800000000, -0.0001058200000000 ] - [ -0.0070179800000000, 0.0109592200000000, 0.0028585500000000 ] - [ 0.0067757600000000, -0.0058006800000000, -0.0016246100000000 ] - [ -0.0005787300000000, 0.0003729900000000, -0.0007269700000000 ] - [ 0.0009319700000000, 0.0014899400000000, 0.0002888800000000 ] - [ -0.0002134100000000, 0.0000101400000000, 0.0003323300000000 ] - [ 0.0002809400000000, -0.0003214600000000, 0.0001253900000000 ] - [ -0.0086246900000000, 0.0027351200000000, -0.0013534800000000 ] - [ 0.0076132300000000, 0.0077285100000000, 0.0018959600000000 ] - [ -0.0003489700000000, -0.0002593200000000, -0.0000028400000000 ] - [ 0.0003271200000000, -0.0007123800000000, 0.0002747600000000 ] - [ 0.0005473600000000, -0.0005377600000000, 0.0000175200000000 ] - [ -0.0006253100000000, 0.0000205700000000, 0.0003273900000000 ] - [ 0.0013770700000000, 0.0005404600000000, 0.0005729000000000 ] - [ -0.0011099700000000, -0.0005795000000000, -0.0001873400000000 ] - [ 0.0016025100000000, -0.0017081500000000, 0.0014318900000000 ] - [ -0.0019666600000000, 0.0000581200000000, -0.0000608500000000 ] - [ 0.0014035700000000, 0.0006151600000000, 0.0002963200000000 ] - [ -0.0004186100000000, -0.0040411100000000, 0.0003504300000000 ] - [ -0.0039947200000000, 0.0002507200000000, 0.0003306800000000 ] - [ 0.0039833800000000, -0.0001784400000000, -0.0039317600000000 ] - [ -0.0005106400000000, -0.0010227300000000, 0.0008129300000000 ] - [ 0.0005091900000000, -0.0003418800000000, -0.0001106200000000 ] - [ -0.0015372800000000, -0.0018421200000000, 0.0037492100000000 ] - [ 0.0023043300000000, 0.0018462700000000, -0.0006693100000000 ] - [ -0.0018511200000000, 0.0008842200000000, 0.0013089400000000 ] - [ 0.0010370300000000, -0.0011708800000000, -0.0005701600000000 ] - [ -0.0003824600000000, 0.0004029200000000, 0.0028884500000000 ] - [ 0.0020296400000000, 0.0000363100000000, -0.0018311600000000 ] - [ -0.0001079700000000, -0.0004704200000000, -0.0000889300000000 ] - [ 0.0001694700000000, -0.0003331900000000, -0.0002097900000000 ] - [ 0.0001667400000000, -0.0008982000000000, -0.0001419300000000 ] - [ -0.0002159500000000, -0.0006770800000000, -0.0001381200000000 ] - [ 0.0100476000000000, 0.0043535900000000, -0.0029138500000000 ] - [ -0.0739691900000000, 0.0294903100000000, -0.0216659900000000 ] - [ 0.0000045300000000, -0.0000358700000000, -0.0001188000000000 ] - [ -0.0003250300000000, 0.0003463900000000, -0.0001644900000000 ] - [ 0.0042521200000000, 0.0114472400000000, 0.0002620300000000 ] - [ -0.0035289400000000, -0.0015747300000000, -0.0009789400000000 ] - [ -0.0000362200000000, 0.0000794200000000, -0.0001449500000000 ] - [ -0.0002476300000000, 0.0000788600000000, -0.0000538200000000 ] - [ 0.0056043000000000, -0.0001142400000000, -0.0000700700000000 ] - [ -0.0025956600000000, -0.0011930800000000, 0.0003602800000000 ] - [ 0.0009259600000000, 0.0004706100000000, -0.0000853200000000 ] - [ -0.0015329600000000, 0.0015442100000000, 0.0003680600000000 ] - [ 0.0007935900000000, 0.0007365600000000, -0.0007276900000000 ] - [ -0.0004073800000000, 0.0004969700000000, 0.0001992700000000 ] - [ 0.0003990200000000, 0.0004959500000000, -0.0006870800000000 ] - [ -0.0008015100000000, -0.0003076700000000, -0.0002525600000000 ] - [ 0.0011697300000000, 0.0004885200000000, 0.0002305000000000 ] - [ -0.0010222200000000, 0.0000632000000000, 0.0000767400000000 ] - [ 0.1463009300000000, -0.0678743000000000, 0.0213234500000000 ] - [ -0.0061303200000000, 0.0010755600000000, -0.0004516600000000 ] - [ 0.0000605900000000, 0.0004561100000000, -0.0001558700000000 ] - [ -0.0002318800000000, 0.0005514000000000, -0.0001845800000000 ] - [ 0.0004903800000000, 0.0002883000000000, 0.0004506600000000 ] - [ -0.0005855800000000, -0.0002003500000000, 0.0003892100000000 ] - [ 0.0003638800000000, 0.0000373500000000, 0.0000334900000000 ] - [ -0.0004149900000000, 0.0002720300000000, 0.0000143800000000 ] - [ 0.0041606200000000, 0.0040439300000000, -0.0027405600000000 ] - [ -0.0018132600000000, -0.0006888300000000, 0.0005734200000000 ] - [ 0.0008778900000000, 0.0002761000000000, 0.0003098600000000 ] - [ -0.0004237200000000, 0.0002495300000000, 0.0000143800000000 ] - [ 0.0001065300000000, -0.0000150400000000, -0.0001236400000000 ] - [ -0.0001436400000000, 0.0000194700000000, -0.0001103700000000 ] - [ 0.0014742600000000, -0.0008288300000000, -0.0016519600000000 ] - [ -0.0010355500000000, -0.0001914800000000, 0.0001254400000000 ] - [ 0.0041074000000000, 0.0019575400000000, 0.0031934900000000 ] - [ -0.0024014300000000, -0.0012644800000000, -0.0010172100000000 ] - [ 0.0005299600000000, 0.0004511100000000, -0.0001156000000000 ] - [ 0.0000402400000000, 0.0001672000000000, -0.0000776900000000 ] - [ 0.0022451900000000, -0.0018822000000000, -0.0002255000000000 ] - [ -0.0012729600000000, -0.0002354800000000, -0.0002050900000000 ] - [ -0.0000756600000000, -0.0001152200000000, 0.0000162400000000 ] - [ -0.0004604600000000, -0.0000817200000000, -0.0000340000000000 ] - [ 0.0017464700000000, 0.0002304200000000, -0.0050532100000000 ] - [ -0.0018900600000000, -0.0005833200000000, 0.0007398100000000 ] - [ 0.0004078200000000, 0.0004786800000000, -0.0001346300000000 ] - [ 0.0001977800000000, 0.0003331100000000, -0.0001227300000000 ] - [ 0.0015557100000000, -0.0001369600000000, -0.0007440500000000 ] - [ -0.0013409000000000, -0.0002073800000000, -0.0000733700000000 ] - [ 0.0001962800000000, 0.0004883900000000, -0.0002140100000000 ] - [ 0.0000561800000000, 0.0005308900000000, -0.0001679800000000 ] - [ -0.0000218200000000, 0.0013529900000000, 0.0000781900000000 ] - [ -0.0002623100000000, -0.0004880800000000, -0.0000951800000000 ] - [ 0.0000863200000000, -0.0038295800000000, 0.0002633500000000 ] - [ -0.0005526000000000, 0.0019364200000000, 0.0006266100000000 ] - [ -0.0000002200000000, 0.0004504900000000, -0.0003949100000000 ] - [ -0.0003214300000000, -0.0002513700000000, 0.0004599200000000 ] - [ -0.0001451000000000, -0.0000127100000000, -0.0001426000000000 ] - [ -0.0003378400000000, 0.0005653200000000, 0.0003609700000000 ] - [ 0.0002977700000000, -0.0000662500000000, -0.0000300300000000 ] - [ 0.0002594600000000, -0.0002617500000000, 0.0000558900000000 ] - [ -0.0007956500000000, -0.0004123600000000, -0.0025749700000000 ] - [ 0.0000640500000000, 0.0001548700000000, 0.0013539700000000 ] - [ -0.0002816500000000, 0.0004445200000000, 0.0000890500000000 ] - [ -0.0002476000000000, 0.0002292000000000, 0.0000356900000000 ] - [ -0.0015122600000000, -0.0028083900000000, 0.0021934100000000 ] - [ -0.0052566800000000, 0.0060196300000000, -0.0020075700000000 ] - [ -0.0010455300000000, 0.0017895600000000, -0.0030456200000000 ] - [ -0.0010322000000000, -0.0030348900000000, 0.0009042000000000 ] - [ -0.0001095600000000, -0.0007025500000000, 0.0000448300000000 ] - [ -0.0001058400000000, 0.0006144600000000, 0.0003650700000000 ] - [ -0.0000416300000000, 0.0003147800000000, -0.0000953700000000 ] - [ -0.0001323300000000, 0.0002013500000000, -0.0000558800000000 ] - [ 0.0000583200000000, -0.0003927000000000, -0.0005228700000000 ] - [ -0.0002377400000000, 0.0005038000000000, -0.0004037500000000 ] - [ -0.0153057400000000, -0.0032291200000000, -0.0024841300000000 ] - [ -0.0305745800000000, 0.0069915800000000, 0.0049937100000000 ] - [ -0.0000292100000000, 0.0002702200000000, -0.0001538300000000 ] - [ 0.0000736500000000, 0.0002844500000000, -0.0001783100000000 ] - [ 0.0001553700000000, 0.0009276600000000, 0.0010851700000000 ] - [ 0.0000691600000000, -0.0002842600000000, 0.0000232500000000 ] - [ 0.0001547100000000, 0.0002468200000000, 0.0001957500000000 ] - [ 0.0000703200000000, 0.0006172800000000, -0.0000482800000000 ] - [ -0.0000801400000000, -0.0000418500000000, -0.0004829400000000 ] - [ -0.0008750400000000, 0.0004454500000000, 0.0013298700000000 ] - [ 0.0001354700000000, 0.0001355300000000, 0.0001482700000000 ] - [ 0.0001588600000000, 0.0001323900000000, 0.0001697500000000 ] - [ -0.0046301900000000, -0.0018350500000000, 0.0028388800000000 ] - [ -0.0048371100000000, 0.0004959500000000, -0.0080548500000000 ] - [ -0.0001721400000000, 0.0005708300000000, 0.0000814100000000 ] - [ -0.0001050000000000, 0.0006151800000000, 0.0000320300000000 ] - [ -0.0078980000000000, 0.0058383400000000, 0.0053405500000000 ] - [ 0.0015379900000000, -0.0021441100000000, -0.0005963400000000 ] - [ 0.0000648400000000, -0.0001805300000000, 0.0003046800000000 ] - [ 0.0000884100000000, 0.0004155900000000, -0.0003717300000000 ] - [ -0.0004919800000000, -0.0004130800000000, 0.0007724000000000 ] - [ 0.0013237400000000, -0.0017843000000000, 0.0003009500000000 ] - [ 0.0000628200000000, 0.0000066700000000, 0.0001557800000000 ] - [ 0.0002232500000000, 0.0001630000000000, 0.0000306100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014958500000000, 0.0061487600000000, 0.0024955200000000 ] - [ 0.0001200500000000, 0.0025324700000000, -0.0007655100000000 ] - [ 0.0000397100000000, -0.0021169700000000, -0.0002529600000000 ] - [ 0.0000568600000000, -0.0018927500000000, -0.0002919400000000 ] - [ -0.0041949200000000, 0.0151367300000000, 0.0026275700000000 ] - [ 0.0014541100000000, 0.0031881100000000, 0.0008403200000000 ] - [ 0.0001322700000000, -0.0024802200000000, -0.0004766300000000 ] - [ -0.0001020700000000, -0.0019786700000000, -0.0003728800000000 ] - [ 0.0001022100000000, -0.0020489600000000, -0.0004443100000000 ] - [ 0.0001851600000000, -0.0015184500000000, -0.0005364200000000 ] - [ -0.0038674100000000, -0.0023935800000000, 0.0025358800000000 ] - [ 0.0014361400000000, 0.0005462500000000, 0.0012420300000000 ] - [ -0.0000491400000000, -0.0023853600000000, -0.0001163100000000 ] - [ -0.0000416400000000, -0.0014702100000000, -0.0000401600000000 ] - [ -0.0100982700000000, 0.0079035600000000, -0.0051035600000000 ] - [ 0.0032162100000000, 0.0017257600000000, -0.0016490000000000 ] - [ 0.0008748600000000, 0.0017673300000000, -0.0000825500000000 ] - [ -0.0002037300000000, 0.0011972400000000, 0.0002320800000000 ] - [ -0.0002789200000000, -0.0013814000000000, -0.0000070000000000 ] - [ 0.0003035800000000, -0.0011490300000000, 0.0002058500000000 ] - [ -0.0012711000000000, 0.0119800900000000, -0.0013275700000000 ] - [ -0.0010643600000000, 0.0036929600000000, 0.0005917400000000 ] - [ -0.0005465000000000, -0.0022316600000000, 0.0003660000000000 ] - [ 0.0004502100000000, -0.0021292300000000, 0.0002166100000000 ] - [ 0.0005451900000000, -0.0015688500000000, 0.0003769300000000 ] - [ -0.0008255100000000, -0.0016928100000000, 0.0009641400000000 ] - [ -0.0008483400000000, 0.0002518700000000, -0.0004184500000000 ] - [ 0.0011425900000000, 0.0004735000000000, -0.0007088000000000 ] - [ 0.0015964300000000, -0.0022058400000000, 0.0009134700000000 ] - [ -0.0025611300000000, -0.0038258400000000, -0.0001901400000000 ] - [ -0.0012556600000000, -0.0007601200000000, 0.0006074000000000 ] - [ 0.0021066000000000, -0.0079429600000000, 0.0010468300000000 ] - [ -0.0028788200000000, -0.0021287500000000, -0.0025187800000000 ] - [ 0.0027231100000000, -0.0000728000000000, -0.0037324000000000 ] - [ 0.0004215400000000, -0.0026392000000000, 0.0019914300000000 ] - [ -0.0003644400000000, -0.0014312700000000, 0.0002503200000000 ] - [ 0.0038535100000000, -0.0038765400000000, 0.0059148300000000 ] - [ -0.0009666100000000, -0.0001937700000000, 0.0008719300000000 ] - [ -0.0012127300000000, -0.0033423700000000, -0.0014135000000000 ] - [ 0.0009214900000000, -0.0013837500000000, -0.0008764900000000 ] - [ -0.0000102800000000, 0.0051009400000000, -0.0006776100000000 ] - [ -0.0009746600000000, 0.0045701100000000, -0.0004174400000000 ] - [ 0.0000423900000000, -0.0023135200000000, -0.0000533900000000 ] - [ 0.0000734000000000, -0.0020376300000000, -0.0001843700000000 ] - [ 0.0001630900000000, -0.0026003300000000, -0.0001547700000000 ] - [ -0.0001422400000000, -0.0027977900000000, -0.0002759200000000 ] - [ -0.0007556400000000, 0.0063290800000000, -0.0002018800000000 ] - [ -0.0274367100000000, 0.0585223100000000, -0.0163112800000000 ] - [ -0.0000815400000000, 0.0014287400000000, 0.0001157700000000 ] - [ -0.0003015500000000, 0.0011443700000000, -0.0000171200000000 ] - [ -0.0135573200000000, 0.0299764800000000, 0.0021810800000000 ] - [ 0.0000252900000000, -0.0015207600000000, -0.0001717000000000 ] - [ 0.0001396000000000, 0.0008073700000000, -0.0000870000000000 ] - [ 0.0000379600000000, 0.0006908500000000, -0.0000793800000000 ] - [ -0.0032815800000000, 0.0017083700000000, -0.0124723100000000 ] - [ -0.0009718900000000, -0.0017779500000000, -0.0002989400000000 ] - [ 0.0002265600000000, 0.0013959600000000, 0.0004735800000000 ] - [ -0.0012610500000000, 0.0016938500000000, 0.0004286200000000 ] - [ 0.0002197900000000, 0.0019031200000000, -0.0016175500000000 ] - [ 0.0002319500000000, 0.0005101500000000, -0.0003182000000000 ] - [ 0.0007584200000000, 0.0022413100000000, -0.0019202700000000 ] - [ -0.0003722100000000, 0.0001505800000000, -0.0004623300000000 ] - [ 0.0005219600000000, 0.0014727800000000, 0.0015404300000000 ] - [ -0.0003394200000000, 0.0000321400000000, 0.0001502800000000 ] - [ 0.0676101000000000, -0.1182780000000000, 0.0243516700000000 ] - [ -0.0008612000000000, -0.0010739300000000, -0.0002406800000000 ] - [ -0.0002517700000000, 0.0015302500000000, -0.0002212200000000 ] - [ -0.0003469500000000, 0.0013185900000000, -0.0002201900000000 ] - [ 0.0002364500000000, 0.0008066500000000, 0.0006438500000000 ] - [ -0.0002501900000000, 0.0001426600000000, 0.0003893000000000 ] - [ -0.0000037100000000, 0.0006736700000000, -0.0004301800000000 ] - [ 0.0000682400000000, 0.0003894300000000, 0.0001034900000000 ] - [ -0.0021000000000000, 0.0128229200000000, -0.0068777800000000 ] - [ -0.0002169700000000, -0.0006280900000000, 0.0001546500000000 ] - [ 0.0007253200000000, 0.0018516100000000, 0.0003509300000000 ] - [ -0.0000997300000000, 0.0008716700000000, 0.0001011800000000 ] - [ -0.0001915800000000, 0.0008563900000000, -0.0001359700000000 ] - [ -0.0002263400000000, 0.0006823600000000, -0.0000949700000000 ] - [ 0.0006215800000000, -0.0015759600000000, -0.0016207800000000 ] - [ -0.0000095800000000, -0.0012734900000000, -0.0001889200000000 ] - [ 0.0018826500000000, 0.0024406300000000, 0.0046166300000000 ] - [ -0.0006960300000000, -0.0006992800000000, -0.0000557100000000 ] - [ 0.0006786000000000, 0.0011903600000000, -0.0001553500000000 ] - [ 0.0002400200000000, 0.0006125800000000, -0.0000786200000000 ] - [ -0.0008916200000000, -0.0005580200000000, -0.0024411200000000 ] - [ 0.0000994800000000, -0.0009189600000000, -0.0002718500000000 ] - [ -0.0003446200000000, 0.0008467000000000, 0.0003610300000000 ] - [ -0.0005655800000000, 0.0003159900000000, 0.0000900500000000 ] - [ -0.0013099100000000, -0.0049893400000000, 0.0010039400000000 ] - [ -0.0003734400000000, -0.0012729100000000, 0.0002309200000000 ] - [ 0.0006469500000000, 0.0012746000000000, -0.0001463900000000 ] - [ 0.0005740500000000, 0.0010599900000000, -0.0000766300000000 ] - [ 0.0004503600000000, -0.0022431900000000, 0.0000358200000000 ] - [ 0.0004913000000000, -0.0010968000000000, -0.0002858600000000 ] - [ 0.0001348100000000, 0.0014953000000000, -0.0003174300000000 ] - [ 0.0000726000000000, 0.0013084200000000, -0.0002661500000000 ] - [ -0.0013694700000000, 0.0028034900000000, 0.0002598900000000 ] - [ 0.0004831400000000, 0.0009731100000000, -0.0000901700000000 ] - [ 0.0010873700000000, 0.0043586700000000, 0.0002166900000000 ] - [ -0.0018201400000000, 0.0008081800000000, 0.0009488500000000 ] - [ -0.0009255300000000, 0.0009978500000000, -0.0007216100000000 ] - [ 0.0000164500000000, 0.0003505500000000, -0.0001819200000000 ] - [ 0.0001682800000000, 0.0006569500000000, 0.0007474900000000 ] - [ -0.0005771200000000, 0.0005622200000000, 0.0004177600000000 ] - [ 0.0004168800000000, 0.0006024100000000, -0.0001591100000000 ] - [ 0.0006013400000000, 0.0005288000000000, -0.0000098300000000 ] - [ 0.0014350300000000, -0.0018818100000000, 0.0038029200000000 ] - [ -0.0005826600000000, -0.0017167900000000, 0.0010185900000000 ] - [ -0.0005644300000000, 0.0011095400000000, 0.0000237100000000 ] - [ -0.0003261300000000, 0.0009943200000000, 0.0000150500000000 ] - [ 0.0033380600000000, -0.0011384700000000, -0.0007457700000000 ] - [ -0.0058966700000000, 0.0015015700000000, -0.0015905400000000 ] - [ -0.0028221200000000, 0.0000379500000000, -0.0020384300000000 ] - [ 0.0020059700000000, 0.0000467400000000, 0.0003877000000000 ] - [ 0.0008223100000000, 0.0011883800000000, 0.0001667700000000 ] - [ -0.0004997800000000, 0.0011893000000000, 0.0006347400000000 ] - [ -0.0001854500000000, 0.0010214500000000, -0.0000420500000000 ] - [ -0.0001228600000000, 0.0010440200000000, -0.0000596200000000 ] - [ 0.0007026300000000, -0.0014777400000000, 0.0001869700000000 ] - [ -0.0005551600000000, -0.0017455400000000, -0.0010057200000000 ] - [ -0.0012574300000000, -0.0067474700000000, -0.0007836600000000 ] - [ -0.0017742900000000, -0.0090531400000000, 0.0004273900000000 ] - [ -0.0000970300000000, 0.0012112300000000, -0.0002210100000000 ] - [ -0.0000289300000000, 0.0011705700000000, -0.0002816200000000 ] - [ 0.0000435100000000, 0.0009887000000000, 0.0010051200000000 ] - [ 0.0004120300000000, 0.0004691200000000, 0.0004919900000000 ] - [ 0.0007238000000000, 0.0009874200000000, -0.0000116000000000 ] - [ -0.0004917700000000, 0.0004633300000000, -0.0002895700000000 ] - [ 0.0008780500000000, -0.0018650000000000, -0.0002557100000000 ] - [ 0.0032215300000000, -0.0040744200000000, -0.0032079200000000 ] - [ -0.0000335600000000, 0.0008258100000000, 0.0003208600000000 ] - [ -0.0001115000000000, 0.0008133500000000, 0.0003941900000000 ] - [ -0.0027775000000000, -0.0036278400000000, 0.0011946700000000 ] - [ 0.0013597600000000, -0.0049568900000000, 0.0022018900000000 ] - [ 0.0001395400000000, 0.0013112500000000, 0.0000479800000000 ] - [ 0.0000950500000000, 0.0013376700000000, 0.0000529300000000 ] - [ -0.0066000700000000, 0.0050743700000000, 0.0047999700000000 ] - [ 0.0015578800000000, -0.0000234800000000, 0.0008306800000000 ] - [ 0.0002419000000000, 0.0004183100000000, -0.0000211900000000 ] - [ -0.0006500900000000, 0.0013223800000000, -0.0010238900000000 ] - [ -0.0003547200000000, -0.0014200000000000, 0.0008104000000000 ] - [ 0.0010406200000000, -0.0019462500000000, 0.0010150400000000 ] - [ 0.0002958400000000, 0.0007970800000000, 0.0000580000000000 ] - [ 0.0000434800000000, 0.0008921800000000, -0.0001787800000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013795000000000, -0.0066245900000000, -0.0029600500000000 ] - [ -0.0000368200000000, -0.0030078400000000, 0.0003522500000000 ] - [ 0.0000518600000000, 0.0016489400000000, -0.0001620200000000 ] - [ 0.0000336700000000, 0.0014264000000000, -0.0001229300000000 ] - [ 0.0041355800000000, -0.0153392900000000, -0.0027989400000000 ] - [ -0.0014994900000000, -0.0032734600000000, -0.0012278400000000 ] - [ -0.0001613400000000, 0.0024182000000000, 0.0000889300000000 ] - [ 0.0000707400000000, 0.0019193600000000, -0.0000138200000000 ] - [ -0.0000705200000000, 0.0021141000000000, 0.0000603000000000 ] - [ -0.0001571800000000, 0.0015792800000000, 0.0001532600000000 ] - [ 0.0039098200000000, 0.0024759800000000, -0.0029229300000000 ] - [ -0.0014140500000000, -0.0004686100000000, -0.0016348600000000 ] - [ -0.0000416400000000, 0.0028624600000000, -0.0002996500000000 ] - [ -0.0000499900000000, 0.0019386300000000, -0.0003762500000000 ] - [ 0.0102135400000000, -0.0069650500000000, 0.0048711900000000 ] - [ -0.0033182100000000, -0.0012020700000000, 0.0012430200000000 ] - [ -0.0007835600000000, -0.0013107300000000, 0.0005027000000000 ] - [ 0.0002909700000000, -0.0007430400000000, 0.0001806300000000 ] - [ 0.0003683500000000, 0.0018544100000000, 0.0004209500000000 ] - [ -0.0002112200000000, 0.0016229200000000, 0.0002098300000000 ] - [ 0.0018739300000000, -0.0123565400000000, 0.0015089500000000 ] - [ 0.0010031200000000, -0.0037013600000000, -0.0001996600000000 ] - [ 0.0005134100000000, 0.0022963100000000, 0.0000221400000000 ] - [ -0.0004772300000000, 0.0021930400000000, 0.0001703900000000 ] - [ -0.0005199500000000, 0.0015068000000000, 0.0000093900000000 ] - [ 0.0008623600000000, 0.0016285400000000, -0.0005831400000000 ] - [ 0.0008732000000000, -0.0003089600000000, 0.0008013100000000 ] - [ -0.0011086200000000, -0.0005217900000000, 0.0010859900000000 ] - [ -0.0017028600000000, 0.0017404000000000, -0.0005037100000000 ] - [ 0.0024907700000000, 0.0033632500000000, 0.0006091600000000 ] - [ 0.0011603600000000, 0.0002985500000000, -0.0001898900000000 ] - [ -0.0021832500000000, 0.0074421800000000, -0.0006187400000000 ] - [ 0.0029635900000000, 0.0018771300000000, 0.0028071300000000 ] - [ -0.0026900700000000, -0.0001853400000000, 0.0040312300000000 ] - [ -0.0003623900000000, 0.0024004600000000, -0.0017060700000000 ] - [ 0.0004236200000000, 0.0011936100000000, 0.0000277600000000 ] - [ -0.0039260700000000, 0.0041237000000000, -0.0056778500000000 ] - [ 0.0008991100000000, 0.0004223200000000, -0.0005922500000000 ] - [ 0.0011445400000000, 0.0035875200000000, 0.0016862200000000 ] - [ -0.0009757400000000, 0.0016383000000000, 0.0011485900000000 ] - [ 0.0000969700000000, -0.0048388500000000, 0.0004029100000000 ] - [ 0.0010262600000000, -0.0043163500000000, 0.0001474300000000 ] - [ 0.0000159800000000, 0.0025630900000000, -0.0002248300000000 ] - [ -0.0000132200000000, 0.0022858800000000, -0.0000920500000000 ] - [ -0.0002243700000000, 0.0023572500000000, -0.0001207900000000 ] - [ 0.0000844800000000, 0.0025537300000000, 0.0000007900000000 ] - [ 0.0006918700000000, -0.0065708200000000, -0.0000928400000000 ] - [ 0.0254266800000000, -0.0575893700000000, 0.0149524800000000 ] - [ -0.0001843000000000, -0.0018682600000000, -0.0004348100000000 ] - [ 0.0000383900000000, -0.0015843000000000, -0.0003013200000000 ] - [ 0.0130015100000000, -0.0297232400000000, -0.0023363900000000 ] - [ -0.0002824000000000, 0.0010767300000000, -0.0001453300000000 ] - [ -0.0006008200000000, -0.0011878700000000, -0.0001489400000000 ] - [ -0.0004982400000000, -0.0010711100000000, -0.0001566700000000 ] - [ 0.0027986700000000, -0.0021109700000000, 0.0121167300000000 ] - [ 0.0005182800000000, 0.0013982700000000, 0.0000651000000000 ] - [ 0.0002120800000000, -0.0007157000000000, -0.0005627200000000 ] - [ 0.0017152800000000, -0.0010201000000000, -0.0005172700000000 ] - [ 0.0002261000000000, -0.0012292700000000, 0.0015199300000000 ] - [ 0.0002132700000000, 0.0001648400000000, 0.0002311700000000 ] - [ -0.0011785600000000, -0.0024008400000000, 0.0017172300000000 ] - [ -0.0000319600000000, -0.0002898800000000, 0.0002433800000000 ] - [ -0.0009268500000000, -0.0016135800000000, -0.0017499600000000 ] - [ -0.0000694000000000, -0.0001795900000000, -0.0003692300000000 ] - [ -0.0664014200000000, 0.1173662900000000, -0.0238145700000000 ] - [ 0.0008537200000000, 0.0015079300000000, -0.0000623300000000 ] - [ 0.0002271300000000, -0.0010963700000000, -0.0000867000000000 ] - [ 0.0003233000000000, -0.0008847700000000, -0.0000869300000000 ] - [ -0.0003226100000000, -0.0008036100000000, -0.0003705100000000 ] - [ 0.0001701300000000, -0.0001352900000000, -0.0001143600000000 ] - [ -0.0000795400000000, -0.0006767900000000, 0.0007033800000000 ] - [ -0.0001519300000000, -0.0003908100000000, 0.0001730800000000 ] - [ 0.0021983100000000, -0.0130094300000000, 0.0072515400000000 ] - [ 0.0003108500000000, 0.0006367100000000, 0.0001165200000000 ] - [ -0.0006364900000000, -0.0018519900000000, -0.0000725200000000 ] - [ 0.0001816800000000, -0.0008772800000000, 0.0001751000000000 ] - [ 0.0002157900000000, -0.0012931400000000, -0.0001712100000000 ] - [ 0.0002509900000000, -0.0011186300000000, -0.0002126100000000 ] - [ -0.0006008800000000, 0.0011324400000000, 0.0013124100000000 ] - [ 0.0000381900000000, 0.0008346700000000, -0.0001192900000000 ] - [ -0.0014925200000000, -0.0023093500000000, -0.0048778700000000 ] - [ 0.0011212600000000, 0.0008558700000000, -0.0001565900000000 ] - [ -0.0002694100000000, -0.0010477600000000, -0.0000656000000000 ] - [ 0.0001662600000000, -0.0004729200000000, -0.0001422000000000 ] - [ 0.0004281800000000, -0.0000996800000000, 0.0023657300000000 ] - [ -0.0005430700000000, 0.0002449100000000, 0.0001855000000000 ] - [ -0.0000973500000000, -0.0015269000000000, -0.0004448400000000 ] - [ 0.0001227200000000, -0.0009992700000000, -0.0001758300000000 ] - [ 0.0017346400000000, 0.0053506800000000, -0.0012865000000000 ] - [ 0.0008410800000000, 0.0016527000000000, -0.0004739700000000 ] - [ -0.0001860900000000, -0.0008967200000000, -0.0000878600000000 ] - [ -0.0001131600000000, -0.0006818800000000, -0.0001584300000000 ] - [ -0.0001951400000000, 0.0026900800000000, -0.0003566100000000 ] - [ -0.0002206600000000, 0.0015359500000000, -0.0000276100000000 ] - [ 0.0001301200000000, -0.0010598700000000, -0.0000009300000000 ] - [ 0.0001917900000000, -0.0008736700000000, -0.0000517000000000 ] - [ 0.0011164200000000, -0.0023829900000000, 0.0000552000000000 ] - [ -0.0007501900000000, -0.0005296500000000, 0.0004115200000000 ] - [ -0.0013487500000000, -0.0039192800000000, 0.0000997500000000 ] - [ 0.0015410900000000, -0.0003814900000000, -0.0006278400000000 ] - [ 0.0004644300000000, -0.0006186200000000, 0.0009619100000000 ] - [ -0.0004799000000000, 0.0000341300000000, 0.0004165700000000 ] - [ -0.0006259200000000, -0.0002797900000000, -0.0005091600000000 ] - [ 0.0001162100000000, -0.0001868000000000, -0.0001806300000000 ] - [ 0.0000267000000000, -0.0012841100000000, 0.0002474300000000 ] - [ -0.0001591500000000, -0.0012090200000000, 0.0000962800000000 ] - [ -0.0009838900000000, 0.0011902600000000, -0.0036824300000000 ] - [ 0.0010214600000000, 0.0010276100000000, -0.0009348200000000 ] - [ 0.0001574600000000, -0.0009690700000000, 0.0001951700000000 ] - [ -0.0000831400000000, -0.0008518200000000, 0.0002042600000000 ] - [ -0.0037436900000000, 0.0012782000000000, 0.0009594900000000 ] - [ 0.0055062100000000, -0.0014014800000000, 0.0018087400000000 ] - [ 0.0028155800000000, -0.0004731700000000, 0.0023605500000000 ] - [ -0.0020287000000000, -0.0004644300000000, -0.0000805700000000 ] - [ -0.0008445400000000, -0.0016259800000000, 0.0001407900000000 ] - [ 0.0004688200000000, -0.0016250300000000, -0.0003226700000000 ] - [ 0.0001022100000000, -0.0010260300000000, -0.0002338700000000 ] - [ 0.0000397300000000, -0.0010474300000000, -0.0002153800000000 ] - [ -0.0007874500000000, 0.0014729600000000, -0.0004578200000000 ] - [ 0.0004763200000000, 0.0017362400000000, 0.0007376100000000 ] - [ 0.0012876500000000, 0.0067637900000000, 0.0004863000000000 ] - [ 0.0020169400000000, 0.0089793700000000, -0.0007258100000000 ] - [ 0.0001810100000000, -0.0012111000000000, -0.0000543000000000 ] - [ 0.0001114800000000, -0.0011691500000000, 0.0000060700000000 ] - [ -0.0000192100000000, -0.0005560300000000, -0.0007050200000000 ] - [ -0.0003881300000000, -0.0000283700000000, -0.0001845700000000 ] - [ -0.0007019500000000, -0.0005573000000000, 0.0003193900000000 ] - [ 0.0005131300000000, -0.0000341300000000, 0.0005955900000000 ] - [ -0.0004738200000000, 0.0017239900000000, 0.0004752800000000 ] - [ -0.0028149600000000, 0.0039375300000000, 0.0034309500000000 ] - [ 0.0004425500000000, -0.0009700300000000, -0.0001007300000000 ] - [ 0.0005193100000000, -0.0009573100000000, -0.0001738600000000 ] - [ 0.0023428900000000, 0.0043325000000000, -0.0011145900000000 ] - [ -0.0017359700000000, 0.0056273400000000, -0.0020576300000000 ] - [ -0.0005824500000000, -0.0006335400000000, 0.0000369300000000 ] - [ -0.0005383000000000, -0.0006584500000000, 0.0000329200000000 ] - [ 0.0071152100000000, -0.0055083900000000, -0.0045966300000000 ] - [ -0.0011131800000000, -0.0003454200000000, -0.0005972200000000 ] - [ 0.0002207800000000, -0.0008007100000000, 0.0002555100000000 ] - [ 0.0011077000000000, -0.0016998200000000, 0.0012490700000000 ] - [ 0.0006238900000000, 0.0009907900000000, -0.0004963500000000 ] - [ -0.0007858200000000, 0.0015260600000000, -0.0006989700000000 ] - [ -0.0000308400000000, -0.0012383200000000, 0.0002612000000000 ] - [ 0.0002204200000000, -0.0013324100000000, 0.0004960000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002874200000000, -0.0031821800000000, -0.0107790300000000 ] - [ 0.0000193400000000, -0.0004632400000000, -0.0016323900000000 ] - [ 0.0000297500000000, -0.0000575500000000, -0.0002601700000000 ] - [ 0.0000485600000000, -0.0000954600000000, -0.0002393300000000 ] - [ 0.0005073700000000, -0.0029525400000000, 0.0078159400000000 ] - [ -0.0007054600000000, 0.0002885900000000, 0.0002330200000000 ] - [ 0.0000492800000000, -0.0000227000000000, -0.0002535100000000 ] - [ -0.0001300800000000, -0.0000705900000000, -0.0002506200000000 ] - [ 0.0001555100000000, -0.0003854600000000, -0.0002138300000000 ] - [ -0.0000144800000000, -0.0002210500000000, -0.0002179500000000 ] - [ 0.0051261600000000, 0.0049525600000000, -0.0029027500000000 ] - [ -0.0011324100000000, 0.0009282600000000, -0.0010746800000000 ] - [ -0.0001023800000000, 0.0006287400000000, -0.0000907400000000 ] - [ 0.0000184400000000, 0.0005121100000000, -0.0001597500000000 ] - [ -0.0027339700000000, -0.0068068200000000, 0.0081768900000000 ] - [ 0.0003175900000000, -0.0010971100000000, 0.0007740800000000 ] - [ 0.0000148900000000, 0.0004213300000000, -0.0026501500000000 ] - [ -0.0002823000000000, 0.0000573400000000, -0.0013196900000000 ] - [ 0.0001309800000000, 0.0004866500000000, -0.0001824500000000 ] - [ -0.0000509800000000, 0.0004561700000000, -0.0000018600000000 ] - [ -0.0028628200000000, 0.0022784800000000, 0.0092353900000000 ] - [ -0.0025273400000000, -0.0019686200000000, 0.0050538000000000 ] - [ 0.0000261400000000, 0.0000921900000000, 0.0005875000000000 ] - [ -0.0001028000000000, 0.0002276100000000, 0.0003861700000000 ] - [ -0.0001528900000000, 0.0001873600000000, -0.0002230200000000 ] - [ 0.0000354700000000, 0.0002586500000000, -0.0007096200000000 ] - [ -0.0005422000000000, -0.0004839600000000, -0.0008650000000000 ] - [ 0.0000989300000000, -0.0003703800000000, -0.0011332900000000 ] - [ -0.0001374100000000, -0.0003606100000000, 0.0009017400000000 ] - [ 0.0004771200000000, 0.0006179000000000, 0.0017885500000000 ] - [ -0.0006360100000000, -0.0002507100000000, 0.0008923400000000 ] - [ 0.0001280900000000, 0.0000422000000000, 0.0009481100000000 ] - [ -0.0015778600000000, -0.0035522800000000, -0.0006465200000000 ] - [ 0.0002974700000000, -0.0006705000000000, -0.0007106400000000 ] - [ -0.0002992800000000, 0.0011600700000000, -0.0002024800000000 ] - [ 0.0003354400000000, 0.0003849400000000, 0.0004337100000000 ] - [ -0.0030653200000000, 0.0029187100000000, 0.0002326200000000 ] - [ 0.0017642200000000, 0.0012920000000000, -0.0004522700000000 ] - [ 0.0005942900000000, -0.0009609400000000, -0.0009377700000000 ] - [ -0.0001598300000000, 0.0000800400000000, 0.0001000000000000 ] - [ -0.0035003900000000, -0.0022654800000000, -0.0081295000000000 ] - [ 0.0020553300000000, -0.0019532700000000, -0.0024058700000000 ] - [ 0.0000514000000000, 0.0002806600000000, -0.0003757500000000 ] - [ 0.0000358600000000, 0.0002820900000000, -0.0003199700000000 ] - [ -0.0000553700000000, -0.0000665200000000, 0.0000443300000000 ] - [ 0.0000020900000000, 0.0000229500000000, 0.0001408000000000 ] - [ 0.0009752400000000, -0.0004953600000000, 0.0032329700000000 ] - [ 0.0164525000000000, -0.0138692100000000, 0.0474922400000000 ] - [ -0.0001403200000000, -0.0004595000000000, -0.0003150000000000 ] - [ -0.0001425500000000, -0.0002875300000000, -0.0002445400000000 ] - [ -0.0031328600000000, 0.0075916200000000, -0.0066286300000000 ] - [ -0.0001627600000000, -0.0000338100000000, -0.0007925400000000 ] - [ -0.0001893900000000, -0.0001393300000000, -0.0002058100000000 ] - [ -0.0002001300000000, -0.0001590100000000, -0.0001759400000000 ] - [ 0.0038460900000000, -0.0137753100000000, 0.0147158800000000 ] - [ -0.0001445700000000, -0.0002851400000000, -0.0001314900000000 ] - [ 0.0002769300000000, 0.0009815500000000, -0.0005820100000000 ] - [ 0.0000608400000000, 0.0006412000000000, -0.0001878500000000 ] - [ 0.0005595900000000, -0.0010511500000000, -0.0006301500000000 ] - [ 0.0003363300000000, 0.0001293400000000, -0.0002506700000000 ] - [ -0.0005731800000000, -0.0010883800000000, 0.0001865300000000 ] - [ -0.0003525000000000, -0.0001709100000000, -0.0001239800000000 ] - [ -0.0006930300000000, -0.0000046500000000, -0.0000068400000000 ] - [ -0.0000685500000000, 0.0000650300000000, -0.0001083700000000 ] - [ -0.0199540200000000, 0.0240809700000000, -0.0831550300000000 ] - [ 0.0002882500000000, 0.0001299300000000, -0.0010189200000000 ] - [ -0.0000095900000000, 0.0001486700000000, -0.0002258900000000 ] - [ 0.0000193800000000, 0.0001495500000000, -0.0002149800000000 ] - [ -0.0000963100000000, 0.0006861500000000, 0.0009307200000000 ] - [ -0.0000500300000000, 0.0001443400000000, 0.0003408100000000 ] - [ 0.0000758000000000, -0.0004158200000000, 0.0006003600000000 ] - [ -0.0000302800000000, -0.0000379400000000, 0.0003846300000000 ] - [ 0.0019421800000000, -0.0051525900000000, -0.0016655800000000 ] - [ -0.0001668600000000, 0.0002547200000000, -0.0006099600000000 ] - [ -0.0001644100000000, 0.0002022500000000, 0.0000389200000000 ] - [ 0.0001029600000000, 0.0000193700000000, 0.0001037800000000 ] - [ 0.0000435400000000, -0.0002373200000000, -0.0000196000000000 ] - [ 0.0000563000000000, -0.0002778500000000, -0.0000700600000000 ] - [ -0.0014940400000000, 0.0012602300000000, 0.0040431800000000 ] - [ 0.0002897600000000, -0.0001804900000000, 0.0003022700000000 ] - [ 0.0002336300000000, 0.0035629800000000, 0.0026828800000000 ] - [ 0.0004619200000000, 0.0004401700000000, 0.0001665600000000 ] - [ 0.0000338300000000, -0.0002768900000000, -0.0001224500000000 ] - [ 0.0001877200000000, -0.0000214300000000, -0.0001420100000000 ] - [ 0.0029478500000000, -0.0031163300000000, 0.0017547300000000 ] - [ -0.0004179900000000, -0.0004496800000000, 0.0003029200000000 ] - [ -0.0002575100000000, -0.0003062600000000, 0.0001171000000000 ] - [ -0.0001772700000000, -0.0003468700000000, 0.0000541900000000 ] - [ 0.0079590400000000, 0.0052487200000000, 0.0131215500000000 ] - [ 0.0000681600000000, 0.0004770100000000, -0.0001356700000000 ] - [ 0.0002221700000000, 0.0001270000000000, -0.0000424200000000 ] - [ 0.0002322600000000, 0.0001529300000000, -0.0000523600000000 ] - [ -0.0009724800000000, -0.0002296300000000, 0.0029252200000000 ] - [ -0.0002871300000000, 0.0000983200000000, 0.0011655300000000 ] - [ 0.0001197200000000, 0.0001104700000000, -0.0000986900000000 ] - [ 0.0001296100000000, 0.0001091100000000, -0.0001115400000000 ] - [ 0.0004840900000000, -0.0003744500000000, -0.0000155400000000 ] - [ -0.0003889600000000, -0.0003913500000000, 0.0000419900000000 ] - [ 0.0000472000000000, 0.0034784300000000, -0.0000178100000000 ] - [ 0.0000013100000000, 0.0002267600000000, -0.0000394200000000 ] - [ 0.0005677400000000, -0.0003112300000000, 0.0005751700000000 ] - [ -0.0003381400000000, -0.0000948700000000, 0.0006858900000000 ] - [ -0.0002072700000000, 0.0004281900000000, 0.0005014700000000 ] - [ -0.0002047400000000, 0.0002336500000000, 0.0002347600000000 ] - [ 0.0002387600000000, -0.0004613200000000, 0.0001438300000000 ] - [ 0.0002063300000000, -0.0004450200000000, 0.0001345400000000 ] - [ 0.0015976700000000, 0.0008385800000000, 0.0012417400000000 ] - [ -0.0000440300000000, 0.0002662600000000, 0.0004902200000000 ] - [ -0.0002158300000000, 0.0000859500000000, -0.0000489200000000 ] - [ -0.0002304000000000, 0.0000534000000000, -0.0000446600000000 ] - [ -0.0015186900000000, -0.0003699400000000, -0.0018536800000000 ] - [ 0.0035595600000000, -0.0031046000000000, -0.0017124400000000 ] - [ 0.0007356000000000, 0.0000167600000000, -0.0016900000000000 ] - [ -0.0032445900000000, -0.0024250600000000, -0.0017028400000000 ] - [ 0.0001986300000000, 0.0002595200000000, 0.0001982600000000 ] - [ -0.0001205300000000, -0.0002086200000000, 0.0001967100000000 ] - [ -0.0000627300000000, -0.0000098300000000, -0.0000297100000000 ] - [ -0.0000495800000000, -0.0000352100000000, -0.0000288300000000 ] - [ -0.0002946300000000, 0.0003235900000000, 0.0010593700000000 ] - [ 0.0008850700000000, 0.0003924900000000, 0.0020578100000000 ] - [ 0.0031662200000000, -0.0000126200000000, -0.0030181600000000 ] - [ -0.0102505200000000, 0.0020737400000000, -0.0063592300000000 ] - [ 0.0000819000000000, -0.0000332500000000, -0.0002085400000000 ] - [ 0.0000337200000000, -0.0000783900000000, -0.0001901700000000 ] - [ -0.0000279900000000, 0.0003836600000000, 0.0005034000000000 ] - [ 0.0002133200000000, 0.0006589600000000, 0.0004250400000000 ] - [ -0.0009212700000000, -0.0006347600000000, 0.0004994300000000 ] - [ 0.0001417100000000, -0.0001189200000000, 0.0004254700000000 ] - [ 0.0014448100000000, -0.0004033600000000, 0.0012037000000000 ] - [ -0.0036368200000000, 0.0037441300000000, 0.0057022000000000 ] - [ 0.0002118400000000, -0.0001096400000000, 0.0001917800000000 ] - [ 0.0002126700000000, -0.0001220400000000, 0.0001863700000000 ] - [ -0.0021167100000000, -0.0001719400000000, -0.0001785900000000 ] - [ 0.0093824400000000, 0.0005050700000000, 0.0028219500000000 ] - [ -0.0002125400000000, 0.0003029200000000, -0.0000159400000000 ] - [ -0.0002215200000000, 0.0002664300000000, -0.0000107000000000 ] - [ -0.0010878500000000, 0.0009238600000000, 0.0013763300000000 ] - [ 0.0006012400000000, 0.0009947100000000, -0.0006073100000000 ] - [ 0.0003081100000000, -0.0002980500000000, -0.0001619900000000 ] - [ 0.0004920800000000, -0.0004791000000000, -0.0001223400000000 ] - [ 0.0003217600000000, -0.0002481100000000, 0.0005842500000000 ] - [ 0.0006732900000000, 0.0009042900000000, 0.0011510700000000 ] - [ 0.0000988900000000, -0.0005016200000000, 0.0002036700000000 ] - [ 0.0001848200000000, -0.0004609300000000, 0.0002220300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003964300000000, 0.0027146700000000, 0.0103606100000000 ] - [ 0.0000698000000000, -0.0000110100000000, 0.0012039600000000 ] - [ 0.0000616800000000, -0.0004078400000000, -0.0001556200000000 ] - [ 0.0000426300000000, -0.0003704600000000, -0.0001767400000000 ] - [ -0.0009148600000000, 0.0024176300000000, -0.0073882500000000 ] - [ 0.0006705000000000, -0.0003630500000000, -0.0006021700000000 ] - [ -0.0000793100000000, -0.0000306100000000, -0.0001307900000000 ] - [ 0.0000998700000000, 0.0000142300000000, -0.0001342800000000 ] - [ -0.0001293400000000, 0.0004522000000000, -0.0001733700000000 ] - [ 0.0000486700000000, 0.0002849100000000, -0.0001715700000000 ] - [ -0.0051139200000000, -0.0049081600000000, 0.0024997200000000 ] - [ 0.0011626700000000, -0.0008678400000000, 0.0006733000000000 ] - [ 0.0000098300000000, -0.0001524100000000, -0.0003241100000000 ] - [ -0.0001083100000000, -0.0000366600000000, -0.0002550100000000 ] - [ 0.0027809000000000, 0.0073433600000000, -0.0084417700000000 ] - [ -0.0004417800000000, 0.0015883300000000, -0.0011727900000000 ] - [ 0.0000618500000000, 0.0000582900000000, 0.0030524300000000 ] - [ 0.0003832600000000, 0.0004172500000000, 0.0017263800000000 ] - [ -0.0000387100000000, -0.0000160000000000, 0.0006000000000000 ] - [ 0.0001420800000000, 0.0000158100000000, 0.0004180900000000 ] - [ 0.0028549300000000, -0.0022614300000000, -0.0087982600000000 ] - [ 0.0024843300000000, 0.0019976400000000, -0.0046849300000000 ] - [ -0.0000543300000000, -0.0000242900000000, -0.0002034400000000 ] - [ 0.0000704800000000, -0.0001578600000000, -0.0000018800000000 ] - [ 0.0001806300000000, -0.0002432100000000, 0.0006050500000000 ] - [ -0.0000031400000000, -0.0003102400000000, 0.0010916800000000 ] - [ 0.0005685000000000, 0.0004141500000000, 0.0012541100000000 ] - [ -0.0000644400000000, 0.0002914600000000, 0.0015349000000000 ] - [ 0.0000460500000000, -0.0001103200000000, -0.0004742900000000 ] - [ -0.0005646100000000, -0.0010785000000000, -0.0013660600000000 ] - [ 0.0005453800000000, -0.0002148000000000, -0.0004780100000000 ] - [ -0.0002273600000000, -0.0004615800000000, -0.0005444600000000 ] - [ 0.0016490400000000, 0.0033141300000000, 0.0009152700000000 ] - [ -0.0002296700000000, 0.0004245300000000, 0.0009581700000000 ] - [ 0.0003626500000000, -0.0014069900000000, 0.0004667300000000 ] - [ -0.0002787500000000, -0.0006302900000000, -0.0001617600000000 ] - [ 0.0029823700000000, -0.0026356100000000, 0.0000587200000000 ] - [ -0.0018033100000000, -0.0010343400000000, 0.0007266000000000 ] - [ -0.0006425600000000, 0.0012163900000000, 0.0012190400000000 ] - [ 0.0000944400000000, 0.0001741100000000, 0.0001871900000000 ] - [ 0.0035194000000000, 0.0024760100000000, 0.0078387800000000 ] - [ -0.0019628700000000, 0.0021692200000000, 0.0021417300000000 ] - [ 0.0000073200000000, -0.0000271400000000, 0.0000994400000000 ] - [ 0.0000240500000000, -0.0000285500000000, 0.0000435800000000 ] - [ -0.0000049000000000, -0.0001758600000000, -0.0003205100000000 ] - [ -0.0000608000000000, -0.0002615300000000, -0.0004166400000000 ] - [ -0.0010183100000000, 0.0002464600000000, -0.0035209600000000 ] - [ -0.0175229100000000, 0.0143292000000000, -0.0480747900000000 ] - [ -0.0001241000000000, 0.0000164700000000, -0.0000042900000000 ] - [ -0.0001221100000000, -0.0001517300000000, -0.0000748900000000 ] - [ 0.0029245900000000, -0.0081676300000000, 0.0062763600000000 ] - [ -0.0000975300000000, -0.0004028000000000, 0.0004757300000000 ] - [ -0.0002719800000000, -0.0002427000000000, -0.0000296500000000 ] - [ -0.0002612600000000, -0.0002212900000000, -0.0000588700000000 ] - [ -0.0043501300000000, 0.0136606100000000, -0.0151970300000000 ] - [ -0.0003171900000000, -0.0000919300000000, -0.0000972200000000 ] - [ 0.0001650200000000, -0.0003042100000000, 0.0004955200000000 ] - [ 0.0003721200000000, 0.0000472800000000, 0.0001024100000000 ] - [ -0.0001221400000000, 0.0017330300000000, 0.0005592600000000 ] - [ 0.0001069300000000, 0.0005495500000000, 0.0001673300000000 ] - [ 0.0001631900000000, 0.0009368100000000, -0.0004074300000000 ] - [ -0.0000580900000000, 0.0000259900000000, -0.0000972200000000 ] - [ 0.0002783200000000, -0.0001453600000000, -0.0002269900000000 ] - [ -0.0003358500000000, -0.0002074300000000, -0.0001162200000000 ] - [ 0.0211788800000000, -0.0240935400000000, 0.0824009800000000 ] - [ -0.0003036600000000, 0.0003083700000000, 0.0007141400000000 ] - [ -0.0000142400000000, 0.0002831000000000, -0.0000813400000000 ] - [ -0.0000427400000000, 0.0002830000000000, -0.0000925300000000 ] - [ 0.0000122300000000, -0.0006902600000000, -0.0006551600000000 ] - [ -0.0000346000000000, -0.0001433200000000, -0.0000622400000000 ] - [ -0.0001604700000000, 0.0004228000000000, -0.0003227600000000 ] - [ -0.0000512400000000, 0.0000400800000000, -0.0001079400000000 ] - [ -0.0018597200000000, 0.0051101200000000, 0.0018926600000000 ] - [ 0.0002426600000000, -0.0002547200000000, 0.0008796700000000 ] - [ 0.0002414900000000, -0.0002116500000000, 0.0002345600000000 ] - [ -0.0000177900000000, -0.0000256400000000, 0.0001718100000000 ] - [ -0.0000173800000000, -0.0002023300000000, -0.0002880100000000 ] - [ -0.0000309900000000, -0.0001604600000000, -0.0002372000000000 ] - [ 0.0015101200000000, -0.0016735900000000, -0.0043350200000000 ] - [ -0.0002672300000000, -0.0002504500000000, -0.0006100900000000 ] - [ 0.0001793200000000, -0.0034437100000000, -0.0029068800000000 ] - [ -0.0000570200000000, -0.0002983800000000, -0.0003785000000000 ] - [ 0.0003733600000000, 0.0004188500000000, -0.0000957000000000 ] - [ 0.0002209000000000, 0.0001631500000000, -0.0000768500000000 ] - [ -0.0033542200000000, 0.0024083200000000, -0.0018303400000000 ] - [ -0.0000307500000000, -0.0002285800000000, -0.0003905400000000 ] - [ -0.0001861800000000, -0.0003787500000000, -0.0002069500000000 ] - [ -0.0002646000000000, -0.0003357400000000, -0.0001424800000000 ] - [ -0.0073932800000000, -0.0047863100000000, -0.0131920300000000 ] - [ 0.0003931600000000, -0.0000918900000000, -0.0001151900000000 ] - [ 0.0002376600000000, 0.0002490300000000, -0.0001934700000000 ] - [ 0.0002276700000000, 0.0002234200000000, -0.0001832600000000 ] - [ 0.0012396600000000, 0.0006584400000000, -0.0032245700000000 ] - [ 0.0005400100000000, 0.0003389600000000, -0.0014776800000000 ] - [ 0.0001450100000000, 0.0003242600000000, -0.0002200300000000 ] - [ 0.0001350300000000, 0.0003252600000000, -0.0002064500000000 ] - [ -0.0007433300000000, 0.0008071000000000, 0.0003312000000000 ] - [ 0.0001207300000000, 0.0008218600000000, 0.0002752200000000 ] - [ -0.0003205000000000, -0.0030367700000000, 0.0003352100000000 ] - [ -0.0002579700000000, 0.0002016200000000, 0.0003521300000000 ] - [ -0.0010184200000000, 0.0006798300000000, -0.0003369000000000 ] - [ -0.0001265500000000, 0.0004696800000000, -0.0004486200000000 ] - [ -0.0002569200000000, -0.0000477500000000, -0.0002698900000000 ] - [ -0.0002576500000000, 0.0001467400000000, -0.0000040200000000 ] - [ 0.0002036300000000, -0.0002223300000000, -0.0000569500000000 ] - [ 0.0002349600000000, -0.0002388400000000, -0.0000483400000000 ] - [ -0.0011488500000000, -0.0014964200000000, -0.0011913700000000 ] - [ 0.0004857100000000, -0.0009361300000000, -0.0004216400000000 ] - [ -0.0001908300000000, 0.0000555900000000, 0.0002687600000000 ] - [ -0.0001780300000000, 0.0000869900000000, 0.0002637400000000 ] - [ 0.0011021100000000, 0.0005057100000000, 0.0020843700000000 ] - [ -0.0039411100000000, 0.0032315100000000, 0.0019554700000000 ] - [ -0.0007509300000000, -0.0004517100000000, 0.0019932600000000 ] - [ 0.0031850400000000, 0.0019740000000000, 0.0019805800000000 ] - [ -0.0002254500000000, -0.0006980000000000, 0.0001091100000000 ] - [ 0.0000985000000000, -0.0002347600000000, 0.0001075500000000 ] - [ -0.0000201200000000, 0.0000046700000000, -0.0002458800000000 ] - [ -0.0000336500000000, 0.0000301600000000, -0.0002452500000000 ] - [ 0.0002166600000000, -0.0003205600000000, -0.0013352200000000 ] - [ -0.0009745000000000, -0.0003806500000000, -0.0023278500000000 ] - [ -0.0031050500000000, 0.0000354600000000, 0.0027074400000000 ] - [ 0.0104345900000000, -0.0020900100000000, 0.0060176900000000 ] - [ 0.0000015800000000, 0.0000326200000000, -0.0000667400000000 ] - [ 0.0000495300000000, 0.0000768100000000, -0.0000849000000000 ] - [ 0.0000565800000000, 0.0000526600000000, -0.0001883700000000 ] - [ -0.0001913700000000, -0.0002261900000000, -0.0001153200000000 ] - [ 0.0009501600000000, 0.0010754200000000, -0.0001922700000000 ] - [ -0.0001180600000000, 0.0005575300000000, -0.0001148900000000 ] - [ -0.0010156700000000, 0.0002580700000000, -0.0009826400000000 ] - [ 0.0040019600000000, -0.0038432500000000, -0.0054397000000000 ] - [ 0.0001970800000000, -0.0000351200000000, 0.0000272900000000 ] - [ 0.0001969500000000, -0.0000240200000000, 0.0000320700000000 ] - [ 0.0016746700000000, 0.0008499200000000, 0.0002762400000000 ] - [ -0.0099423500000000, 0.0001638100000000, -0.0027684800000000 ] - [ -0.0002312700000000, 0.0003745500000000, 0.0001018000000000 ] - [ -0.0002220700000000, 0.0004108900000000, 0.0000970800000000 ] - [ 0.0015021100000000, -0.0012675200000000, -0.0011002600000000 ] - [ -0.0001438000000000, -0.0013685000000000, 0.0008464500000000 ] - [ 0.0001527700000000, -0.0000823700000000, 0.0003990900000000 ] - [ -0.0000294300000000, 0.0000941700000000, 0.0003675500000000 ] - [ -0.0000517600000000, -0.0001914100000000, -0.0002589600000000 ] - [ -0.0004111000000000, -0.0013463100000000, -0.0008278700000000 ] - [ 0.0001660100000000, 0.0000634700000000, 0.0001150500000000 ] - [ 0.0000789500000000, 0.0000218800000000, 0.0000975500000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0034250400000000, 0.0033675900000000, -0.0002323600000000 ] - [ -0.0018017200000000, -0.0017901000000000, -0.0005921200000000 ] - [ 0.0016579500000000, -0.0007703800000000, 0.0000584900000000 ] - [ -0.0012236900000000, -0.0000009400000000, -0.0001916100000000 ] - [ 0.0020357400000000, -0.0000158100000000, 0.0001892600000000 ] - [ -0.0018055400000000, -0.0000290800000000, 0.0002301900000000 ] - [ 0.0007417100000000, -0.0003795600000000, -0.0004346800000000 ] - [ -0.0008197600000000, -0.0002601000000000, -0.0002658000000000 ] - [ 0.0088719400000000, 0.0012852800000000, -0.0042884500000000 ] - [ -0.0074838900000000, -0.0047807600000000, 0.0030275700000000 ] - [ 0.0003763700000000, -0.0003321800000000, -0.0004607700000000 ] - [ -0.0002993500000000, 0.0000205900000000, -0.0001164100000000 ] - [ 0.0012115400000000, 0.0004810200000000, -0.0003136300000000 ] - [ -0.0013894800000000, 0.0000174600000000, -0.0014446700000000 ] - [ 0.0001375800000000, -0.0001171200000000, 0.0001212200000000 ] - [ -0.0002600100000000, 0.0002526000000000, -0.0002957500000000 ] - [ 0.0185907400000000, 0.0094778300000000, -0.0028524400000000 ] - [ -0.0075454800000000, 0.0040450100000000, -0.0023116600000000 ] - [ 0.0001099300000000, 0.0003176100000000, 0.0001894800000000 ] - [ -0.0000313600000000, -0.0002578700000000, 0.0002978600000000 ] - [ 0.0006249500000000, -0.0006757000000000, -0.0006938900000000 ] - [ -0.0016882800000000, 0.0013377700000000, 0.0008116600000000 ] - [ 0.0001601500000000, 0.0001812400000000, 0.0001802200000000 ] - [ -0.0001380300000000, -0.0003161200000000, 0.0000965800000000 ] - [ -0.0049067500000000, 0.0024676100000000, 0.0020465900000000 ] - [ 0.0161846700000000, 0.0040579200000000, 0.0031552400000000 ] - [ -0.0003824200000000, -0.0004322400000000, 0.0002287800000000 ] - [ 0.0004243000000000, -0.0001328200000000, 0.0002175400000000 ] - [ -0.0013443100000000, 0.0001936900000000, -0.0004286900000000 ] - [ 0.0002674300000000, -0.0001802800000000, 0.0021987600000000 ] - [ -0.0001751500000000, -0.0004150300000000, 0.0001994200000000 ] - [ 0.0000847000000000, -0.0003525200000000, 0.0002232400000000 ] - [ 0.0585575100000000, -0.0150097300000000, -0.0261488600000000 ] - [ -0.0094483900000000, -0.0023901400000000, -0.0038134500000000 ] - [ 0.0002839500000000, -0.0003469700000000, 0.0001614400000000 ] - [ -0.0002346900000000, -0.0002942500000000, 0.0000972600000000 ] - [ 0.0041098400000000, 0.0012318600000000, 0.0062658300000000 ] - [ -0.0031136200000000, 0.0009057800000000, -0.0021778400000000 ] - [ 0.0001045100000000, -0.0001135600000000, 0.0001964200000000 ] - [ -0.0001667200000000, -0.0001497900000000, 0.0000913000000000 ] - [ 0.0003729100000000, -0.0028177700000000, 0.0010773200000000 ] - [ -0.0007009500000000, 0.0011655000000000, -0.0005054200000000 ] - [ 0.0006066900000000, 0.0020603900000000, 0.0009451400000000 ] - [ -0.0023521300000000, -0.0032105500000000, 0.0008716800000000 ] - [ -0.0027258500000000, 0.0015106000000000, 0.0001496300000000 ] - [ 0.0016546900000000, -0.0012638300000000, -0.0008848900000000 ] - [ -0.0006372400000000, -0.0005936900000000, -0.0005118600000000 ] - [ 0.0006970100000000, 0.0001934900000000, 0.0004119900000000 ] - [ -0.0007457700000000, 0.0004141800000000, -0.0002860400000000 ] - [ 0.0011799200000000, -0.0004870100000000, 0.0002629400000000 ] - [ -0.0003337000000000, -0.0001466600000000, -0.0002539300000000 ] - [ 0.0000443200000000, -0.0001340500000000, -0.0000993700000000 ] - [ -0.0028858100000000, -0.0010032100000000, 0.0009274400000000 ] - [ 0.0017926700000000, 0.0006866000000000, -0.0012385200000000 ] - [ -0.0007082300000000, -0.0004065000000000, -0.0003167400000000 ] - [ 0.0001140700000000, 0.0000745800000000, 0.0000197600000000 ] - [ -0.0066500100000000, 0.0001540600000000, -0.0033054700000000 ] - [ 0.0029856900000000, -0.0005400600000000, 0.0004171000000000 ] - [ 0.0001009100000000, 0.0004237600000000, 0.0000005700000000 ] - [ 0.0002841700000000, 0.0003993900000000, -0.0000659200000000 ] - [ -0.0040045400000000, -0.0021782300000000, 0.0009864400000000 ] - [ 0.0017069000000000, 0.0003550500000000, -0.0003950100000000 ] - [ -0.0002852500000000, -0.0000006900000000, -0.0001232800000000 ] - [ -0.0000558800000000, 0.0000560000000000, -0.0001690600000000 ] - [ -0.0005428100000000, 0.0004944300000000, -0.0002104400000000 ] - [ 0.0005331900000000, 0.0000079800000000, -0.0001619500000000 ] - [ -0.0004182200000000, 0.0002582400000000, -0.0000360000000000 ] - [ 0.0003614200000000, 0.0003274300000000, -0.0001423100000000 ] - [ -0.1338412000000000, 0.0009142400000000, 0.0394572100000000 ] - [ 0.0065897600000000, -0.0003527800000000, -0.0006244600000000 ] - [ -0.0001513200000000, 0.0001220000000000, 0.0001597300000000 ] - [ 0.0000980100000000, 0.0001057900000000, 0.0001518600000000 ] - [ -0.0009859300000000, -0.0006779600000000, -0.0007034100000000 ] - [ 0.0008651700000000, -0.0000598600000000, 0.0003821600000000 ] - [ -0.0000388500000000, 0.0001059800000000, 0.0001480700000000 ] - [ 0.0001238600000000, 0.0000980500000000, 0.0001511900000000 ] - [ -0.0041569100000000, -0.0023594600000000, -0.0020451700000000 ] - [ 0.0018701800000000, -0.0004858700000000, 0.0000478000000000 ] - [ -0.0008283000000000, 0.0004653900000000, 0.0000485800000000 ] - [ 0.0004789200000000, -0.0003577600000000, -0.0002145800000000 ] - [ -0.0059470000000000, 0.0057350000000000, 0.0060966000000000 ] - [ 0.0028622700000000, 0.0001315600000000, 0.0000323100000000 ] - [ 0.0000782600000000, 0.0000850700000000, -0.0001115800000000 ] - [ 0.0003656600000000, 0.0001924500000000, -0.0000954900000000 ] - [ -0.0032189000000000, 0.0001802100000000, -0.0039517100000000 ] - [ 0.0013476700000000, -0.0009961200000000, 0.0008912400000000 ] - [ -0.0003628400000000, -0.0002620000000000, -0.0001040600000000 ] - [ -0.0001589200000000, -0.0001800300000000, 0.0000156500000000 ] - [ -0.0002293100000000, 0.0005144000000000, -0.0006795000000000 ] - [ 0.0006977300000000, 0.0001603700000000, 0.0001005200000000 ] - [ -0.0002564800000000, -0.0001595200000000, -0.0003720200000000 ] - [ 0.0014751100000000, 0.0012757400000000, 0.0002226000000000 ] - [ -0.0031642400000000, 0.0054892000000000, 0.0002327300000000 ] - [ 0.0012488900000000, -0.0011408800000000, -0.0001102400000000 ] - [ -0.0001948400000000, -0.0002829500000000, -0.0000253500000000 ] - [ 0.0007651000000000, 0.0008677900000000, -0.0003905700000000 ] - [ -0.0010008000000000, -0.0001875100000000, -0.0005061400000000 ] - [ 0.0006652000000000, 0.0001866800000000, 0.0004517600000000 ] - [ -0.0001476000000000, 0.0004089500000000, 0.0001565500000000 ] - [ -0.0001062600000000, 0.0002640700000000, 0.0001716200000000 ] - [ 0.0023750500000000, -0.0004767100000000, -0.0062374600000000 ] - [ 0.0024407200000000, -0.0014169600000000, 0.0027453800000000 ] - [ -0.0002696300000000, 0.0003001300000000, 0.0000907800000000 ] - [ -0.0002899100000000, 0.0003003000000000, 0.0001066000000000 ] - [ 0.0000126700000000, -0.0010498600000000, -0.0004684000000000 ] - [ 0.0053419700000000, 0.0039868100000000, 0.0026582500000000 ] - [ 0.0001976100000000, 0.0001187500000000, -0.0001287900000000 ] - [ 0.0002814600000000, -0.0005432000000000, 0.0001485200000000 ] - [ 0.0026338000000000, -0.0014955400000000, 0.0039321400000000 ] - [ -0.0008389200000000, 0.0010914100000000, -0.0006881200000000 ] - [ -0.0002500200000000, 0.0002756900000000, 0.0001080600000000 ] - [ -0.0001168700000000, -0.0001196800000000, 0.0000653800000000 ] - [ 0.0001860000000000, 0.0003021200000000, -0.0007819900000000 ] - [ -0.0001122700000000, -0.0009641800000000, 0.0004066300000000 ] - [ 0.0000792200000000, -0.0001371600000000, 0.0001619200000000 ] - [ -0.0000123100000000, -0.0000744200000000, 0.0001753000000000 ] - [ 0.0005964500000000, -0.0016920000000000, -0.0012186800000000 ] - [ 0.0006038300000000, 0.0027915600000000, -0.0003597400000000 ] - [ 0.0000765600000000, 0.0006936800000000, 0.0000137900000000 ] - [ 0.0000778700000000, -0.0003391800000000, -0.0001088200000000 ] - [ 0.0002381000000000, 0.0002681300000000, -0.0000656500000000 ] - [ -0.0001796400000000, -0.0001222400000000, -0.0004469200000000 ] - [ 0.0002389700000000, -0.0004968500000000, 0.0001089200000000 ] - [ -0.0001794400000000, 0.0004654800000000, -0.0000461200000000 ] - [ 0.0155693100000000, 0.0014937500000000, 0.0033143700000000 ] - [ 0.0298922100000000, 0.0020720100000000, -0.0100821900000000 ] - [ 0.0000823600000000, 0.0003572200000000, 0.0001942500000000 ] - [ -0.0000194700000000, 0.0002883200000000, 0.0001461800000000 ] - [ 0.0009210700000000, 0.0013408300000000, -0.0006270100000000 ] - [ 0.0002907400000000, -0.0008262800000000, 0.0008296300000000 ] - [ 0.0005636400000000, -0.0005916700000000, -0.0001346400000000 ] - [ -0.0004026000000000, 0.0009861100000000, 0.0002572600000000 ] - [ 0.0000457200000000, 0.0007855900000000, 0.0003563300000000 ] - [ -0.0005866400000000, -0.0003935300000000, -0.0004945100000000 ] - [ 0.0002675300000000, 0.0002264400000000, -0.0000424200000000 ] - [ -0.0006112800000000, 0.0004212500000000, 0.0001060500000000 ] - [ 0.0006924600000000, 0.0002455700000000, 0.0018150200000000 ] - [ 0.0021036900000000, -0.0021058200000000, -0.0055071400000000 ] - [ 0.0002570800000000, -0.0001673600000000, 0.0001315200000000 ] - [ 0.0001542000000000, -0.0000845500000000, 0.0001168300000000 ] - [ 0.0056543800000000, 0.0006022100000000, 0.0022400900000000 ] - [ 0.0039000000000000, -0.0117874800000000, -0.0025964800000000 ] - [ 0.0002398900000000, -0.0001935800000000, 0.0001636500000000 ] - [ 0.0000223100000000, -0.0000325700000000, 0.0000733000000000 ]- atom: 69 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0033313800000000, -0.0038158800000000, -0.0001984200000000 ] - [ 0.0018886800000000, 0.0013066000000000, 0.0001689800000000 ] - [ -0.0015721800000000, 0.0002991000000000, -0.0004775400000000 ] - [ 0.0013181200000000, -0.0004635200000000, -0.0002229800000000 ] - [ -0.0020682100000000, -0.0000401900000000, -0.0005698000000000 ] - [ 0.0017749900000000, -0.0000350600000000, -0.0006059400000000 ] - [ -0.0007734900000000, 0.0003157700000000, 0.0000509200000000 ] - [ 0.0007910400000000, 0.0001993700000000, -0.0001193600000000 ] - [ -0.0086807500000000, -0.0014662700000000, 0.0040301700000000 ] - [ 0.0075304700000000, 0.0048844600000000, -0.0034370600000000 ] - [ -0.0003439200000000, 0.0003948200000000, 0.0000714100000000 ] - [ 0.0003282600000000, 0.0000420100000000, -0.0002711600000000 ] - [ -0.0012939600000000, -0.0000159800000000, -0.0000946800000000 ] - [ 0.0012919600000000, 0.0004517600000000, 0.0010286100000000 ] - [ -0.0002271500000000, 0.0005894000000000, -0.0005331000000000 ] - [ 0.0001675900000000, 0.0002178300000000, -0.0001181300000000 ] - [ -0.0179187600000000, -0.0082901800000000, 0.0030485400000000 ] - [ 0.0076258400000000, -0.0036120300000000, 0.0027422400000000 ] - [ -0.0000172400000000, 0.0001516500000000, 0.0002261700000000 ] - [ 0.0001221900000000, 0.0007294600000000, 0.0001178500000000 ] - [ -0.0006130300000000, 0.0007499900000000, 0.0011187500000000 ] - [ 0.0016426600000000, -0.0012729000000000, -0.0004272100000000 ] - [ -0.0001875800000000, -0.0001196900000000, 0.0002040900000000 ] - [ 0.0001060000000000, 0.0003789800000000, 0.0002884400000000 ] - [ 0.0049293500000000, -0.0025120100000000, -0.0016415200000000 ] - [ -0.0165106100000000, -0.0045336300000000, -0.0032504400000000 ] - [ 0.0004122200000000, 0.0003679100000000, 0.0001579500000000 ] - [ -0.0003933100000000, 0.0000703000000000, 0.0001691400000000 ] - [ 0.0012605900000000, -0.0006631800000000, 0.0008370200000000 ] - [ -0.0003948900000000, -0.0002846900000000, -0.0017415500000000 ] - [ 0.0000842600000000, -0.0000538900000000, 0.0002159200000000 ] - [ -0.0001759300000000, -0.0001159100000000, 0.0001921800000000 ] - [ -0.0597183900000000, 0.0160054400000000, 0.0284090800000000 ] - [ 0.0094935300000000, 0.0021000300000000, 0.0040522100000000 ] - [ -0.0002246200000000, 0.0001008600000000, 0.0001137800000000 ] - [ 0.0002944600000000, 0.0000488400000000, 0.0001782300000000 ] - [ -0.0041278800000000, -0.0009958400000000, -0.0059610100000000 ] - [ 0.0030431700000000, -0.0006595000000000, 0.0024690400000000 ] - [ -0.0001630200000000, 0.0003598400000000, 0.0000807700000000 ] - [ 0.0001066000000000, 0.0003971400000000, 0.0001859000000000 ] - [ -0.0003088700000000, 0.0030466600000000, -0.0013426100000000 ] - [ 0.0007543200000000, -0.0009201400000000, 0.0002328100000000 ] - [ -0.0005315100000000, -0.0018099900000000, -0.0012208900000000 ] - [ 0.0024055800000000, 0.0034632600000000, -0.0011337800000000 ] - [ 0.0026787700000000, -0.0017591400000000, -0.0004332600000000 ] - [ -0.0017290500000000, 0.0010036400000000, 0.0006048300000000 ] - [ 0.0005818800000000, 0.0003506300000000, 0.0002328600000000 ] - [ -0.0007611000000000, -0.0004306600000000, -0.0006862300000000 ] - [ 0.0004854100000000, -0.0008355600000000, -0.0000364400000000 ] - [ -0.0014457400000000, 0.0000487300000000, -0.0005794200000000 ] - [ 0.0000694300000000, -0.0002927200000000, -0.0000646900000000 ] - [ -0.0003091800000000, -0.0003044200000000, -0.0002188700000000 ] - [ 0.0024199300000000, 0.0006349100000000, -0.0011598400000000 ] - [ -0.0022652600000000, -0.0010754600000000, 0.0010127200000000 ] - [ 0.0002469700000000, 0.0000234800000000, 0.0000837600000000 ] - [ -0.0005753300000000, -0.0004538200000000, -0.0002521200000000 ] - [ 0.0071758700000000, 0.0005333800000000, 0.0030555600000000 ] - [ -0.0025367600000000, 0.0012202500000000, -0.0004814000000000 ] - [ 0.0003414500000000, 0.0002563400000000, -0.0000863000000000 ] - [ 0.0001586500000000, 0.0002806100000000, -0.0000200100000000 ] - [ 0.0035915400000000, 0.0020438000000000, -0.0012106500000000 ] - [ -0.0021089300000000, -0.0004962100000000, 0.0001684000000000 ] - [ -0.0001227700000000, -0.0001415200000000, -0.0000972000000000 ] - [ -0.0003510600000000, -0.0001980000000000, -0.0000514800000000 ] - [ 0.0005209000000000, -0.0000649700000000, -0.0001018200000000 ] - [ -0.0005570500000000, 0.0004279500000000, -0.0001464100000000 ] - [ 0.0003924100000000, 0.0001820500000000, -0.0002721700000000 ] - [ -0.0003848400000000, 0.0001069200000000, -0.0001631200000000 ] - [ 0.1350716000000000, -0.0022552100000000, -0.0406180300000000 ] - [ -0.0066600300000000, 0.0003593800000000, 0.0008828900000000 ] - [ 0.0000683100000000, -0.0001195900000000, 0.0001156600000000 ] - [ -0.0001808900000000, -0.0001033600000000, 0.0001238000000000 ] - [ 0.0010641600000000, 0.0006725600000000, 0.0009658400000000 ] - [ -0.0007791700000000, 0.0000591200000000, -0.0001089300000000 ] - [ 0.0001217900000000, -0.0001081200000000, 0.0001270600000000 ] - [ -0.0000401100000000, -0.0001010500000000, 0.0001241400000000 ] - [ 0.0041506400000000, 0.0019383900000000, 0.0017571100000000 ] - [ -0.0018437600000000, 0.0000422300000000, -0.0003614300000000 ] - [ 0.0008497900000000, -0.0008961400000000, -0.0003570400000000 ] - [ -0.0004529900000000, -0.0000760000000000, -0.0000935500000000 ] - [ 0.0063087300000000, -0.0056840000000000, -0.0063862900000000 ] - [ -0.0024470500000000, 0.0000212000000000, -0.0002429600000000 ] - [ 0.0003303000000000, 0.0000584800000000, -0.0001076200000000 ] - [ 0.0000425000000000, -0.0000504700000000, -0.0001236800000000 ] - [ 0.0027478000000000, -0.0008723000000000, 0.0038635000000000 ] - [ -0.0017896500000000, 0.0003168400000000, -0.0009813700000000 ] - [ -0.0000799900000000, -0.0004187900000000, 0.0000169900000000 ] - [ -0.0002833700000000, -0.0005014100000000, -0.0001026900000000 ] - [ 0.0006868100000000, -0.0001364200000000, 0.0004389100000000 ] - [ -0.0002353600000000, 0.0002199700000000, -0.0003379200000000 ] - [ 0.0007163500000000, 0.0005409700000000, 0.0001382400000000 ] - [ -0.0010124300000000, -0.0008976600000000, -0.0004610900000000 ] - [ 0.0033896000000000, -0.0050059400000000, -0.0005363100000000 ] - [ -0.0009811300000000, 0.0015842300000000, -0.0002077300000000 ] - [ 0.0004579300000000, 0.0007240200000000, -0.0002949000000000 ] - [ -0.0005001800000000, -0.0004347800000000, 0.0000726200000000 ] - [ 0.0007266000000000, 0.0006222900000000, 0.0008162100000000 ] - [ -0.0009132400000000, 0.0002520000000000, -0.0001390200000000 ] - [ -0.0001173800000000, 0.0000280500000000, 0.0001617400000000 ] - [ -0.0001577300000000, 0.0001729100000000, 0.0001465300000000 ] - [ -0.0028088800000000, 0.0008602900000000, 0.0064036100000000 ] - [ -0.0028998400000000, 0.0017976600000000, -0.0025190700000000 ] - [ -0.0001920200000000, 0.0000799700000000, 0.0001442600000000 ] - [ -0.0001709600000000, 0.0000790800000000, 0.0001282600000000 ] - [ 0.0004233300000000, 0.0003627900000000, 0.0005516700000000 ] - [ -0.0049086900000000, -0.0046590900000000, -0.0025692700000000 ] - [ 0.0002442200000000, -0.0007970000000000, 0.0002127300000000 ] - [ 0.0001621400000000, -0.0001377300000000, -0.0000624900000000 ] - [ -0.0030466400000000, 0.0016458500000000, -0.0037238200000000 ] - [ 0.0004439100000000, -0.0009512000000000, 0.0009176800000000 ] - [ -0.0001580300000000, -0.0001342900000000, 0.0001124500000000 ] - [ -0.0002891700000000, 0.0002602400000000, 0.0001544900000000 ] - [ -0.0002179700000000, -0.0007289400000000, 0.0010775200000000 ] - [ 0.0000961400000000, 0.0005262000000000, -0.0001047700000000 ] - [ -0.0001047900000000, -0.0002993200000000, 0.0001459200000000 ] - [ -0.0000120500000000, -0.0003617300000000, 0.0001326300000000 ] - [ -0.0006868000000000, 0.0016852200000000, 0.0009457200000000 ] - [ -0.0006794000000000, -0.0028023900000000, 0.0000799500000000 ] - [ -0.0001596800000000, -0.0006922600000000, -0.0002877100000000 ] - [ -0.0001583400000000, 0.0003365500000000, -0.0001656600000000 ] - [ -0.0001590500000000, -0.0002712300000000, -0.0002128400000000 ] - [ 0.0002648800000000, 0.0001236100000000, 0.0001707500000000 ] - [ -0.0001582200000000, 0.0005006600000000, -0.0003838700000000 ] - [ 0.0002650800000000, -0.0004616500000000, -0.0002284400000000 ] - [ -0.0153325100000000, -0.0010526900000000, -0.0029578300000000 ] - [ -0.0305914400000000, -0.0017213300000000, 0.0106057200000000 ] - [ -0.0000577900000000, 0.0000789100000000, 0.0001136500000000 ] - [ 0.0000446300000000, 0.0001476000000000, 0.0001616900000000 ] - [ -0.0005099600000000, -0.0014710600000000, 0.0008397000000000 ] - [ 0.0001218100000000, 0.0006813100000000, -0.0006108400000000 ] - [ -0.0001567300000000, 0.0004486600000000, 0.0003536900000000 ] - [ 0.0008132600000000, -0.0011308000000000, -0.0000397900000000 ] - [ -0.0004948700000000, -0.0001072600000000, -0.0002645400000000 ] - [ 0.0001475100000000, 0.0010685700000000, 0.0005797800000000 ] - [ -0.0007139200000000, 0.0004512200000000, 0.0001295900000000 ] - [ 0.0001710500000000, 0.0002596500000000, -0.0000189600000000 ] - [ -0.0002520600000000, -0.0006115400000000, -0.0015624200000000 ] - [ -0.0016048000000000, 0.0017127900000000, 0.0057247000000000 ] - [ 0.0002031800000000, -0.0002119000000000, 0.0001044000000000 ] - [ 0.0003067800000000, -0.0002950000000000, 0.0001187100000000 ] - [ -0.0053870200000000, -0.0010164200000000, -0.0019289800000000 ] - [ -0.0036328400000000, 0.0114549200000000, 0.0029219200000000 ] - [ 0.0000242500000000, -0.0002448000000000, 0.0001548000000000 ] - [ 0.0002425300000000, -0.0004046600000000, 0.0002449500000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006568100000000, -0.0065722600000000, -0.0000024700000000 ] - [ -0.0009238800000000, -0.0017665300000000, -0.0006745600000000 ] - [ -0.0016356700000000, -0.0037006300000000, 0.0004639500000000 ] - [ 0.0010225700000000, -0.0018010300000000, -0.0000109900000000 ] - [ 0.0011823800000000, 0.0003150100000000, 0.0012647500000000 ] - [ -0.0010728000000000, 0.0008578000000000, 0.0005443500000000 ] - [ -0.0004368200000000, -0.0021323300000000, -0.0008332800000000 ] - [ 0.0003142500000000, -0.0016972700000000, -0.0005567300000000 ] - [ 0.0031368400000000, 0.0098688300000000, 0.0058044400000000 ] - [ -0.0012507500000000, 0.0022205600000000, 0.0001212800000000 ] - [ -0.0001463200000000, -0.0024184600000000, -0.0003597300000000 ] - [ 0.0002831000000000, -0.0019041600000000, -0.0001938800000000 ] - [ -0.0003534200000000, 0.0013627400000000, -0.0000416600000000 ] - [ -0.0005572600000000, 0.0011400200000000, -0.0012110200000000 ] - [ -0.0001776000000000, -0.0015594200000000, 0.0000006300000000 ] - [ 0.0001480000000000, -0.0010899700000000, -0.0001508200000000 ] - [ 0.0129319500000000, 0.0328283000000000, -0.0042105500000000 ] - [ 0.0042917500000000, 0.0047370800000000, 0.0024359600000000 ] - [ 0.0002607600000000, -0.0022709500000000, 0.0000834300000000 ] - [ -0.0001122700000000, -0.0015758000000000, 0.0001434200000000 ] - [ -0.0034780700000000, -0.0001747800000000, -0.0051392200000000 ] - [ 0.0008198100000000, 0.0008238000000000, -0.0012365900000000 ] - [ 0.0000360800000000, -0.0019085800000000, 0.0002773300000000 ] - [ -0.0002675100000000, -0.0015311100000000, 0.0003333500000000 ] - [ 0.0012519800000000, 0.0036898000000000, -0.0003128200000000 ] - [ -0.0012789700000000, 0.0101683200000000, 0.0010740700000000 ] - [ -0.0001933600000000, -0.0021369600000000, 0.0003657200000000 ] - [ 0.0001396900000000, -0.0022988300000000, 0.0004657900000000 ] - [ -0.0000313300000000, 0.0031658700000000, 0.0000359900000000 ] - [ -0.0008274400000000, 0.0032795000000000, -0.0003106300000000 ] - [ -0.0000523800000000, -0.0019370400000000, 0.0002512800000000 ] - [ -0.0000433300000000, -0.0020692000000000, 0.0002475000000000 ] - [ -0.0150183000000000, 0.0532233200000000, 0.0211100800000000 ] - [ -0.0004441700000000, 0.0072063000000000, -0.0011049100000000 ] - [ -0.0000765300000000, -0.0027780400000000, 0.0002888600000000 ] - [ 0.0000510300000000, -0.0024453700000000, 0.0001721500000000 ] - [ 0.0006480600000000, 0.0082070000000000, 0.0021829800000000 ] - [ -0.0006885200000000, 0.0037355300000000, -0.0004252400000000 ] - [ -0.0000478300000000, -0.0023470300000000, 0.0000260200000000 ] - [ -0.0000772100000000, -0.0020813700000000, 0.0001607200000000 ] - [ -0.0006427200000000, -0.0038839700000000, 0.0017211800000000 ] - [ 0.0010390200000000, -0.0017418500000000, 0.0004655800000000 ] - [ 0.0058764700000000, -0.0043846900000000, -0.0040310500000000 ] - [ -0.0022292400000000, -0.0021888200000000, 0.0008774800000000 ] - [ 0.0031370200000000, -0.0022831300000000, 0.0003703500000000 ] - [ -0.0018480100000000, -0.0005269800000000, 0.0024213400000000 ] - [ -0.0007356300000000, -0.0018412600000000, -0.0006475400000000 ] - [ 0.0007049300000000, -0.0024383400000000, -0.0014346700000000 ] - [ 0.0001763700000000, -0.0012203900000000, -0.0004185100000000 ] - [ -0.0011129000000000, -0.0012977500000000, -0.0008317500000000 ] - [ -0.0002763600000000, 0.0009526700000000, 0.0000853200000000 ] - [ -0.0000441900000000, 0.0007354300000000, -0.0000286000000000 ] - [ 0.0024149000000000, 0.0017831700000000, -0.0024885900000000 ] - [ -0.0009152900000000, -0.0004446000000000, 0.0000283800000000 ] - [ 0.0000033900000000, 0.0011475600000000, 0.0005020500000000 ] - [ 0.0001578400000000, 0.0005783300000000, 0.0000339000000000 ] - [ 0.0032057500000000, -0.0074603100000000, -0.0104481300000000 ] - [ 0.0006087800000000, -0.0012479300000000, -0.0000571100000000 ] - [ -0.0001205900000000, 0.0013959800000000, -0.0000591600000000 ] - [ -0.0001061000000000, 0.0012240300000000, -0.0000415100000000 ] - [ -0.0021839900000000, -0.0036881100000000, 0.0029534200000000 ] - [ -0.0003093100000000, -0.0013017700000000, 0.0002549600000000 ] - [ 0.0001026800000000, 0.0008992300000000, -0.0003509400000000 ] - [ 0.0000496200000000, 0.0007585500000000, -0.0003435000000000 ] - [ -0.0003008900000000, 0.0010227600000000, 0.0005353400000000 ] - [ 0.0001896200000000, 0.0003550500000000, -0.0000101500000000 ] - [ -0.0000531900000000, 0.0008945200000000, -0.0005721700000000 ] - [ -0.0002820500000000, 0.0006093400000000, -0.0001932200000000 ] - [ 0.0013427300000000, -0.1161073700000000, -0.0328024100000000 ] - [ -0.0003884000000000, -0.0025070800000000, 0.0003675100000000 ] - [ 0.0000790600000000, 0.0012781300000000, 0.0002358900000000 ] - [ 0.0000635000000000, 0.0010645000000000, 0.0002343000000000 ] - [ -0.0006386300000000, -0.0023824600000000, 0.0000448900000000 ] - [ -0.0000159400000000, -0.0013073000000000, 0.0002802700000000 ] - [ 0.0001483500000000, 0.0010803900000000, 0.0001075600000000 ] - [ 0.0001413800000000, 0.0009627300000000, 0.0000727200000000 ] - [ -0.0039935700000000, 0.0126082200000000, 0.0049400800000000 ] - [ 0.0006999600000000, -0.0008477700000000, -0.0004067200000000 ] - [ -0.0002677300000000, 0.0016337300000000, -0.0003606800000000 ] - [ -0.0002367300000000, 0.0006561600000000, -0.0001765700000000 ] - [ 0.0010857900000000, 0.0105469400000000, 0.0163449500000000 ] - [ 0.0008105700000000, -0.0009220200000000, 0.0006874600000000 ] - [ 0.0005264500000000, 0.0011316500000000, -0.0000672100000000 ] - [ 0.0003970800000000, 0.0008776700000000, 0.0000065400000000 ] - [ -0.0004061500000000, -0.0011630000000000, -0.0061195400000000 ] - [ 0.0003260300000000, -0.0015078000000000, -0.0008662600000000 ] - [ -0.0005204900000000, 0.0007059400000000, 0.0001286400000000 ] - [ -0.0005183300000000, 0.0005316800000000, 0.0000123400000000 ] - [ 0.0001636700000000, 0.0009053200000000, -0.0008662300000000 ] - [ 0.0001998800000000, 0.0004504500000000, -0.0004379900000000 ] - [ 0.0002617200000000, 0.0014643800000000, 0.0017370200000000 ] - [ 0.0011650800000000, 0.0010687000000000, 0.0002040100000000 ] - [ -0.0001209600000000, 0.0043987200000000, -0.0011399600000000 ] - [ -0.0003928300000000, 0.0006474800000000, -0.0005686700000000 ] - [ -0.0006009400000000, 0.0034380600000000, -0.0006794400000000 ] - [ 0.0003441300000000, 0.0011040100000000, -0.0002398800000000 ] - [ -0.0006327900000000, -0.0019680100000000, -0.0001768400000000 ] - [ 0.0001572500000000, -0.0013121200000000, 0.0002331100000000 ] - [ -0.0000866700000000, 0.0014895500000000, 0.0003071000000000 ] - [ -0.0001166300000000, 0.0013561400000000, 0.0002930100000000 ] - [ 0.0002547500000000, -0.0047371100000000, -0.0011900800000000 ] - [ 0.0020192000000000, -0.0034932200000000, 0.0003866500000000 ] - [ -0.0006394000000000, 0.0012148200000000, 0.0001661700000000 ] - [ -0.0006092000000000, 0.0011320900000000, 0.0000642900000000 ] - [ -0.0010831700000000, -0.0012336500000000, 0.0011151600000000 ] - [ 0.0045414600000000, 0.0036345400000000, 0.0024943800000000 ] - [ 0.0005532400000000, 0.0006831600000000, -0.0001781100000000 ] - [ 0.0003216300000000, 0.0005312700000000, -0.0002043600000000 ] - [ -0.0045850900000000, 0.0021394400000000, -0.0064280800000000 ] - [ 0.0004242900000000, -0.0004447800000000, -0.0000068500000000 ] - [ -0.0002548200000000, 0.0008109200000000, 0.0000605700000000 ] - [ -0.0006505800000000, 0.0009792200000000, 0.0001326300000000 ] - [ 0.0004923500000000, -0.0019605500000000, 0.0005405500000000 ] - [ -0.0004048500000000, -0.0016972500000000, 0.0004747900000000 ] - [ 0.0001907100000000, 0.0008272300000000, 0.0001213000000000 ] - [ 0.0003043600000000, 0.0008055000000000, 0.0001467100000000 ] - [ -0.0028322200000000, 0.0009650000000000, 0.0010660000000000 ] - [ 0.0016444300000000, 0.0009729100000000, -0.0008941200000000 ] - [ 0.0002966100000000, 0.0014241700000000, 0.0000313700000000 ] - [ -0.0007342300000000, 0.0014228500000000, -0.0003128900000000 ] - [ 0.0005415100000000, 0.0009771000000000, 0.0002165800000000 ] - [ -0.0004227200000000, 0.0003439800000000, 0.0001605100000000 ] - [ -0.0002275300000000, 0.0009740100000000, -0.0005461800000000 ] - [ 0.0001638100000000, 0.0003490900000000, -0.0001559100000000 ] - [ -0.0032598400000000, -0.0065320000000000, 0.0001763000000000 ] - [ 0.0070484500000000, -0.0087741800000000, -0.0019545300000000 ] - [ 0.0002836500000000, 0.0014289500000000, 0.0001869200000000 ] - [ 0.0002971100000000, 0.0013875200000000, 0.0002312700000000 ] - [ 0.0013056000000000, 0.0011454000000000, -0.0008358000000000 ] - [ -0.0006326000000000, 0.0008297700000000, -0.0008672400000000 ] - [ -0.0004583500000000, 0.0008226500000000, 0.0006022900000000 ] - [ 0.0003291200000000, 0.0008892100000000, 0.0004125700000000 ] - [ 0.0005698700000000, 0.0011401100000000, 0.0004451200000000 ] - [ -0.0008616900000000, 0.0011498700000000, 0.0014575500000000 ] - [ -0.0003847100000000, 0.0011826100000000, -0.0000422500000000 ] - [ 0.0006960900000000, 0.0012269900000000, -0.0005329800000000 ] - [ 0.0016588900000000, -0.0023182300000000, 0.0004852900000000 ] - [ -0.0022406100000000, -0.0025106500000000, 0.0044070700000000 ] - [ -0.0001272100000000, 0.0007092800000000, 0.0001374900000000 ] - [ -0.0000393100000000, 0.0007115100000000, 0.0000586300000000 ] - [ 0.0067296700000000, -0.0027539900000000, 0.0041160800000000 ] - [ -0.0140051200000000, 0.0087460700000000, 0.0036432900000000 ] - [ 0.0000286300000000, 0.0010426600000000, -0.0000421800000000 ] - [ 0.0002927400000000, 0.0014407600000000, -0.0000466100000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005661700000000, 0.0061009400000000, -0.0004109000000000 ] - [ 0.0010084700000000, 0.0012902800000000, 0.0002560500000000 ] - [ 0.0017423500000000, 0.0032371700000000, -0.0008815100000000 ] - [ -0.0009420900000000, 0.0013322000000000, -0.0004058500000000 ] - [ -0.0012075900000000, -0.0003674500000000, -0.0016476700000000 ] - [ 0.0010357100000000, -0.0009146000000000, -0.0009254200000000 ] - [ 0.0004142700000000, 0.0020711200000000, 0.0004501600000000 ] - [ -0.0003497300000000, 0.0016347700000000, 0.0001717600000000 ] - [ -0.0027180600000000, -0.0103751300000000, -0.0058971400000000 ] - [ 0.0012358900000000, -0.0022111500000000, -0.0004890000000000 ] - [ 0.0001775000000000, 0.0024812200000000, -0.0000272500000000 ] - [ -0.0002532900000000, 0.0019676300000000, -0.0001925000000000 ] - [ 0.0002759600000000, -0.0009059200000000, -0.0003691700000000 ] - [ 0.0004586800000000, -0.0006783600000000, 0.0007956300000000 ] - [ 0.0000875300000000, 0.0020296800000000, -0.0004152900000000 ] - [ -0.0002396400000000, 0.0015619200000000, -0.0002644500000000 ] - [ -0.0118380000000000, -0.0313392900000000, 0.0042639800000000 ] - [ -0.0042141200000000, -0.0042169200000000, -0.0020302700000000 ] - [ -0.0001702500000000, 0.0027463600000000, 0.0003326700000000 ] - [ 0.0002045300000000, 0.0020444300000000, 0.0002726300000000 ] - [ 0.0034504700000000, 0.0002468100000000, 0.0055172500000000 ] - [ -0.0008616500000000, -0.0007444000000000, 0.0016233800000000 ] - [ -0.0000654200000000, 0.0019731300000000, 0.0001075800000000 ] - [ 0.0002375600000000, 0.0015908900000000, 0.0000507100000000 ] - [ -0.0012441600000000, -0.0037622000000000, 0.0006950800000000 ] - [ 0.0010499600000000, -0.0103902100000000, -0.0010071700000000 ] - [ 0.0002220700000000, 0.0020745600000000, 0.0000207300000000 ] - [ -0.0001080600000000, 0.0022377200000000, -0.0000791100000000 ] - [ -0.0000650700000000, -0.0036398900000000, 0.0003805600000000 ] - [ 0.0007100200000000, -0.0037419200000000, 0.0007768400000000 ] - [ -0.0000394300000000, 0.0014681500000000, 0.0001639200000000 ] - [ -0.0000468100000000, 0.0016004700000000, 0.0001675500000000 ] - [ 0.0142123500000000, -0.0530103500000000, -0.0197028900000000 ] - [ 0.0004868600000000, -0.0074098500000000, 0.0013786400000000 ] - [ 0.0001385200000000, 0.0025330700000000, -0.0000135000000000 ] - [ 0.0000069700000000, 0.0021996600000000, 0.0001033000000000 ] - [ -0.0006809100000000, -0.0079528800000000, -0.0019043900000000 ] - [ 0.0006140500000000, -0.0034820100000000, 0.0007019300000000 ] - [ -0.0000111900000000, 0.0025953700000000, 0.0002516300000000 ] - [ 0.0000175300000000, 0.0023283900000000, 0.0001154400000000 ] - [ 0.0007101400000000, 0.0041240900000000, -0.0019949000000000 ] - [ -0.0009812700000000, 0.0019923800000000, -0.0007396900000000 ] - [ -0.0058416400000000, 0.0046481300000000, 0.0037700700000000 ] - [ 0.0022886300000000, 0.0024204500000000, -0.0011498500000000 ] - [ -0.0032226900000000, 0.0020446300000000, -0.0006432400000000 ] - [ 0.0018054400000000, 0.0002547500000000, -0.0027161500000000 ] - [ 0.0006722400000000, 0.0015956300000000, 0.0003691100000000 ] - [ -0.0007598800000000, 0.0021957200000000, 0.0011583700000000 ] - [ -0.0004440100000000, 0.0008049600000000, 0.0000956400000000 ] - [ 0.0008605500000000, 0.0008659100000000, 0.0005185800000000 ] - [ 0.0000111900000000, -0.0013903300000000, -0.0004032000000000 ] - [ -0.0002188500000000, -0.0011736400000000, -0.0002895300000000 ] - [ -0.0028984700000000, -0.0021710600000000, 0.0022743200000000 ] - [ 0.0004730200000000, 0.0000762400000000, -0.0002728800000000 ] - [ -0.0004657300000000, -0.0015274400000000, -0.0007368700000000 ] - [ -0.0006174800000000, -0.0009576500000000, -0.0002679600000000 ] - [ -0.0027212300000000, 0.0081858900000000, 0.0102083600000000 ] - [ -0.0001583200000000, 0.0019253500000000, -0.0000348500000000 ] - [ 0.0005627600000000, -0.0007161100000000, -0.0000264900000000 ] - [ 0.0005494000000000, -0.0005440600000000, -0.0000447700000000 ] - [ 0.0017664300000000, 0.0035538400000000, -0.0031731700000000 ] - [ -0.0000919300000000, 0.0011605800000000, -0.0004761700000000 ] - [ -0.0005114200000000, -0.0010424900000000, 0.0001310500000000 ] - [ -0.0004568000000000, -0.0009006200000000, 0.0001234900000000 ] - [ 0.0002745100000000, -0.0005876100000000, -0.0008407700000000 ] - [ -0.0002098500000000, 0.0000770000000000, -0.0002975800000000 ] - [ 0.0000246200000000, -0.0004560500000000, 0.0002666600000000 ] - [ 0.0002605300000000, -0.0001711100000000, -0.0001149400000000 ] - [ -0.0018256600000000, 0.1151270000000000, 0.0322255200000000 ] - [ 0.0003237800000000, 0.0024975600000000, -0.0000880900000000 ] - [ -0.0001622900000000, -0.0012772400000000, 0.0000388400000000 ] - [ -0.0001454200000000, -0.0010625700000000, 0.0000407000000000 ] - [ 0.0007118300000000, 0.0023703300000000, 0.0002228300000000 ] - [ 0.0001027600000000, 0.0013034400000000, -0.0000062800000000 ] - [ -0.0000659200000000, -0.0010826800000000, 0.0001669600000000 ] - [ -0.0000578700000000, -0.0009648700000000, 0.0002023200000000 ] - [ 0.0040576500000000, -0.0132241200000000, -0.0053230300000000 ] - [ -0.0006705300000000, 0.0004174100000000, 0.0001027800000000 ] - [ 0.0002903300000000, -0.0020696000000000, 0.0000533400000000 ] - [ 0.0002629600000000, -0.0010924300000000, -0.0001314500000000 ] - [ -0.0006345600000000, -0.0102273900000000, -0.0163044800000000 ] - [ -0.0003863600000000, 0.0010599800000000, -0.0009008400000000 ] - [ -0.0001189100000000, -0.0009896200000000, -0.0001513300000000 ] - [ 0.0000122400000000, -0.0007345900000000, -0.0002256100000000 ] - [ -0.0000545300000000, 0.0004743100000000, 0.0060099000000000 ] - [ -0.0007633700000000, 0.0008245000000000, 0.0007801900000000 ] - [ 0.0000775100000000, -0.0013881200000000, -0.0002166000000000 ] - [ 0.0000764000000000, -0.0012123900000000, -0.0000989000000000 ] - [ 0.0002938500000000, -0.0005280900000000, 0.0006279700000000 ] - [ 0.0002618300000000, -0.0000725600000000, 0.0002017200000000 ] - [ 0.0001958000000000, -0.0010919900000000, -0.0019899000000000 ] - [ -0.0007007100000000, -0.0006844100000000, -0.0004394000000000 ] - [ 0.0003925200000000, -0.0039671200000000, 0.0008208400000000 ] - [ 0.0006584300000000, -0.0002160900000000, 0.0002495200000000 ] - [ 0.0008671800000000, -0.0030180500000000, 0.0003684300000000 ] - [ -0.0000778300000000, -0.0006637600000000, -0.0000790900000000 ] - [ 0.0003617300000000, 0.0024074000000000, 0.0004890900000000 ] - [ -0.0004086600000000, 0.0017524800000000, 0.0000820600000000 ] - [ -0.0001777900000000, -0.0010529200000000, 0.0000110000000000 ] - [ -0.0001475900000000, -0.0009197600000000, 0.0000252900000000 ] - [ -0.0007161700000000, 0.0051084800000000, 0.0014074300000000 ] - [ -0.0024735000000000, 0.0038783400000000, -0.0001380400000000 ] - [ 0.0001789400000000, -0.0008361100000000, 0.0000686500000000 ] - [ 0.0001482400000000, -0.0007527500000000, 0.0001711000000000 ] - [ 0.0015343200000000, 0.0005587400000000, -0.0010377300000000 ] - [ -0.0040872400000000, -0.0043181900000000, -0.0024013100000000 ] - [ -0.0001111900000000, -0.0013624200000000, 0.0002634600000000 ] - [ 0.0001213500000000, -0.0012127900000000, 0.0002905400000000 ] - [ 0.0042144200000000, -0.0020149500000000, 0.0067148400000000 ] - [ -0.0008361600000000, 0.0006017600000000, 0.0002200600000000 ] - [ -0.0001528100000000, -0.0006684300000000, 0.0001594900000000 ] - [ 0.0002430300000000, -0.0008379200000000, 0.0000874700000000 ] - [ -0.0005180800000000, 0.0015214400000000, -0.0002324800000000 ] - [ 0.0003844700000000, 0.0012538000000000, -0.0001693300000000 ] - [ -0.0002149000000000, -0.0012639200000000, 0.0001865400000000 ] - [ -0.0003297100000000, -0.0012416200000000, 0.0001610700000000 ] - [ 0.0027619200000000, -0.0009721600000000, -0.0013453900000000 ] - [ -0.0017325800000000, -0.0009641200000000, 0.0006243100000000 ] - [ -0.0003788400000000, -0.0014237600000000, -0.0003052200000000 ] - [ 0.0006519700000000, -0.0014250000000000, 0.0000377800000000 ] - [ -0.0004561100000000, -0.0009730900000000, -0.0004901900000000 ] - [ 0.0005042900000000, -0.0003457900000000, -0.0004346300000000 ] - [ 0.0003116800000000, -0.0009763000000000, 0.0002746000000000 ] - [ -0.0000821200000000, -0.0003406400000000, -0.0001194100000000 ] - [ 0.0032448500000000, 0.0069794600000000, 0.0001277100000000 ] - [ -0.0068373400000000, 0.0092581000000000, 0.0022088000000000 ] - [ -0.0002583100000000, -0.0009935100000000, 0.0001209200000000 ] - [ -0.0002730700000000, -0.0009522200000000, 0.0000760200000000 ] - [ -0.0008924200000000, -0.0012794500000000, 0.0010497500000000 ] - [ 0.0010426500000000, -0.0009755600000000, 0.0010845800000000 ] - [ 0.0008705100000000, -0.0009676100000000, -0.0003845600000000 ] - [ 0.0000753400000000, -0.0010282900000000, -0.0001926300000000 ] - [ -0.0010102100000000, -0.0004578900000000, -0.0003566400000000 ] - [ 0.0004168400000000, -0.0004753100000000, -0.0013703700000000 ] - [ -0.0000526300000000, -0.0005029100000000, 0.0001281400000000 ] - [ -0.0011435300000000, -0.0005461100000000, 0.0006228600000000 ] - [ -0.0011965900000000, 0.0019318300000000, -0.0002473900000000 ] - [ 0.0027282600000000, 0.0021028000000000, -0.0042029600000000 ] - [ 0.0005884200000000, -0.0010888800000000, 0.0000982400000000 ] - [ 0.0004993000000000, -0.0010906400000000, 0.0001773900000000 ] - [ -0.0063997400000000, 0.0023091800000000, -0.0037508900000000 ] - [ 0.0140504800000000, -0.0090414100000000, -0.0032986200000000 ] - [ 0.0002373700000000, -0.0014800900000000, 0.0003607300000000 ] - [ -0.0000296700000000, -0.0018789500000000, 0.0003644300000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002463000000000, -0.0016720800000000, 0.0014057200000000 ] - [ 0.0003254300000000, 0.0002714900000000, 0.0004069500000000 ] - [ 0.0000601400000000, -0.0008155500000000, 0.0017308400000000 ] - [ -0.0002507500000000, -0.0001768000000000, 0.0004497800000000 ] - [ -0.0015434500000000, 0.0013583900000000, -0.0022090900000000 ] - [ 0.0003950300000000, 0.0005000400000000, -0.0009608500000000 ] - [ 0.0000603100000000, -0.0004374000000000, -0.0010633500000000 ] - [ -0.0003630600000000, -0.0003948200000000, -0.0006549800000000 ] - [ -0.0014277100000000, -0.0001567200000000, 0.0143811800000000 ] - [ 0.0015070000000000, 0.0021587700000000, 0.0005982200000000 ] - [ -0.0001496800000000, -0.0002321100000000, 0.0001213800000000 ] - [ 0.0000859700000000, -0.0002134200000000, -0.0000438100000000 ] - [ -0.0004157900000000, 0.0002764300000000, -0.0029224500000000 ] - [ -0.0004492700000000, 0.0006450400000000, -0.0026566200000000 ] - [ -0.0000851100000000, 0.0000330900000000, -0.0006615100000000 ] - [ -0.0000060800000000, 0.0000591700000000, -0.0003901500000000 ] - [ -0.0007059600000000, 0.0000269600000000, 0.0126977200000000 ] - [ 0.0005667700000000, -0.0000963300000000, 0.0021678900000000 ] - [ 0.0001221100000000, -0.0001463600000000, 0.0002733700000000 ] - [ -0.0000128400000000, -0.0001496500000000, 0.0003374900000000 ] - [ -0.0033513400000000, -0.0016473900000000, -0.0048408300000000 ] - [ 0.0015582100000000, -0.0011397200000000, -0.0005875000000000 ] - [ -0.0000511000000000, 0.0004176400000000, 0.0001340500000000 ] - [ 0.0001072500000000, 0.0001857600000000, 0.0000900700000000 ] - [ 0.0021698300000000, -0.0011209600000000, 0.0016202500000000 ] - [ -0.0018756000000000, 0.0012320200000000, 0.0092539600000000 ] - [ 0.0001059400000000, -0.0000602400000000, 0.0002149700000000 ] - [ -0.0000770800000000, -0.0001559500000000, 0.0002144700000000 ] - [ -0.0000779200000000, -0.0002900000000000, -0.0011514400000000 ] - [ 0.0039144600000000, -0.0009826800000000, -0.0093279600000000 ] - [ -0.0000507600000000, -0.0004004000000000, 0.0001429700000000 ] - [ -0.0000433800000000, -0.0004441400000000, 0.0001462000000000 ] - [ -0.0281883600000000, 0.0224578800000000, 0.0751996500000000 ] - [ -0.0002793000000000, -0.0015669900000000, 0.0017904800000000 ] - [ 0.0000553000000000, -0.0003329300000000, 0.0003820900000000 ] - [ 0.0000200500000000, -0.0002385200000000, 0.0003160200000000 ] - [ 0.0024672500000000, 0.0015455100000000, -0.0105103100000000 ] - [ -0.0003569500000000, 0.0009988100000000, -0.0030362200000000 ] - [ -0.0000366700000000, -0.0000695600000000, -0.0000606100000000 ] - [ -0.0000089400000000, -0.0001366300000000, -0.0000401100000000 ] - [ 0.0001236400000000, 0.0012782100000000, -0.0003249900000000 ] - [ 0.0001934100000000, 0.0001196700000000, -0.0000097800000000 ] - [ 0.0032371600000000, -0.0018828900000000, -0.0005810200000000 ] - [ -0.0020040100000000, -0.0028831800000000, 0.0020489300000000 ] - [ -0.0015854400000000, 0.0011816400000000, -0.0008743700000000 ] - [ 0.0013598900000000, 0.0028495700000000, -0.0011892000000000 ] - [ -0.0002057900000000, -0.0007019600000000, -0.0001742200000000 ] - [ 0.0003330000000000, -0.0011255600000000, -0.0007220600000000 ] - [ -0.0003179800000000, -0.0019550900000000, 0.0015204800000000 ] - [ 0.0006159900000000, -0.0002209500000000, 0.0003643800000000 ] - [ -0.0001204200000000, 0.0000426300000000, -0.0000385100000000 ] - [ -0.0001021400000000, -0.0000138300000000, -0.0001146100000000 ] - [ -0.0015008800000000, -0.0026895700000000, -0.0001788300000000 ] - [ -0.0002581500000000, -0.0005438300000000, -0.0002552000000000 ] - [ -0.0001484700000000, 0.0002757200000000, -0.0001604000000000 ] - [ -0.0001353100000000, -0.0000654600000000, -0.0002944500000000 ] - [ -0.0098568700000000, -0.0016598700000000, 0.0312039600000000 ] - [ 0.0001685800000000, 0.0002628300000000, -0.0001406200000000 ] - [ 0.0002141300000000, 0.0004475100000000, -0.0000859100000000 ] - [ 0.0002015900000000, 0.0004141900000000, -0.0000734900000000 ] - [ -0.0002516900000000, -0.0005051300000000, 0.0073748100000000 ] - [ -0.0004259800000000, -0.0002055100000000, 0.0006753300000000 ] - [ -0.0001670100000000, -0.0000070100000000, -0.0000559400000000 ] - [ -0.0001954500000000, 0.0000033800000000, -0.0000540600000000 ] - [ -0.0003269600000000, 0.0007263200000000, 0.0006375800000000 ] - [ -0.0002665500000000, 0.0004701600000000, 0.0000471900000000 ] - [ 0.0000944100000000, -0.0003519400000000, 0.0003069100000000 ] - [ 0.0001093700000000, 0.0001826400000000, 0.0000914200000000 ] - [ 0.0414285200000000, -0.0331499100000000, -0.1393762600000000 ] - [ -0.0007958100000000, 0.0002315700000000, -0.0003443200000000 ] - [ -0.0000193600000000, 0.0000977800000000, 0.0000746100000000 ] - [ -0.0000275400000000, 0.0000963200000000, 0.0000801600000000 ] - [ 0.0008796600000000, 0.0000975500000000, 0.0035406100000000 ] - [ -0.0002056900000000, -0.0001415200000000, 0.0005853600000000 ] - [ 0.0000310000000000, 0.0000275100000000, 0.0002706400000000 ] - [ 0.0000276300000000, 0.0000628000000000, 0.0002345100000000 ] - [ -0.0028563100000000, 0.0068301700000000, -0.0019167900000000 ] - [ 0.0004434500000000, -0.0002349300000000, -0.0008954500000000 ] - [ 0.0001851500000000, -0.0004321300000000, -0.0002503300000000 ] - [ -0.0001103700000000, -0.0001825100000000, -0.0001875700000000 ] - [ 0.0021104600000000, 0.0130235500000000, 0.0052263500000000 ] - [ -0.0006118400000000, 0.0000851000000000, -0.0009065600000000 ] - [ 0.0001855600000000, 0.0000783900000000, -0.0002888700000000 ] - [ 0.0002213500000000, 0.0000950200000000, -0.0002179700000000 ] - [ -0.0010759500000000, -0.0036861000000000, 0.0050708100000000 ] - [ 0.0000073700000000, -0.0009075700000000, 0.0000469300000000 ] - [ -0.0002555500000000, -0.0001859400000000, 0.0000490900000000 ] - [ -0.0002223600000000, -0.0001767500000000, 0.0000249900000000 ] - [ 0.0002391600000000, -0.0003698600000000, 0.0000399600000000 ] - [ 0.0001177500000000, 0.0000966500000000, -0.0000699500000000 ] - [ 0.0002282500000000, 0.0005836300000000, 0.0008417200000000 ] - [ 0.0014085400000000, 0.0011726800000000, 0.0003535300000000 ] - [ 0.0015417400000000, -0.0018682600000000, -0.0008918600000000 ] - [ 0.0000041100000000, 0.0003366500000000, -0.0002020800000000 ] - [ -0.0003079800000000, 0.0013786700000000, -0.0005841100000000 ] - [ 0.0004640400000000, 0.0006306500000000, -0.0003928400000000 ] - [ -0.0004963100000000, 0.0007793100000000, 0.0024562300000000 ] - [ -0.0018759900000000, -0.0002616700000000, 0.0012791400000000 ] - [ -0.0001300500000000, 0.0003270200000000, 0.0002146000000000 ] - [ -0.0001492100000000, 0.0003555300000000, 0.0002144700000000 ] - [ -0.0045728300000000, -0.0004830200000000, 0.0039769800000000 ] - [ 0.0028128400000000, -0.0021505400000000, 0.0013265400000000 ] - [ -0.0002669800000000, 0.0002561600000000, 0.0001735900000000 ] - [ -0.0002538000000000, 0.0002896700000000, 0.0001620600000000 ] - [ -0.0002323400000000, 0.0002595200000000, 0.0004403600000000 ] - [ 0.0063031900000000, 0.0052011800000000, 0.0041486800000000 ] - [ 0.0002082000000000, -0.0004767200000000, 0.0001601900000000 ] - [ 0.0002252400000000, -0.0002865400000000, 0.0000657500000000 ] - [ 0.0016803300000000, -0.0009851700000000, 0.0031162500000000 ] - [ -0.0010732500000000, -0.0007685700000000, 0.0006075600000000 ] - [ -0.0002388300000000, 0.0002386600000000, 0.0001140400000000 ] - [ -0.0003386800000000, 0.0002907000000000, 0.0001615900000000 ] - [ -0.0002753500000000, -0.0010860600000000, 0.0023450000000000 ] - [ -0.0004012400000000, 0.0001113200000000, 0.0013505000000000 ] - [ 0.0000689400000000, -0.0001411000000000, 0.0002622300000000 ] - [ 0.0000293600000000, -0.0001236500000000, 0.0002622000000000 ] - [ 0.0001814400000000, -0.0007587800000000, -0.0022910700000000 ] - [ 0.0010360700000000, 0.0012004900000000, -0.0022811500000000 ] - [ -0.0000699200000000, -0.0001785400000000, -0.0002606500000000 ] - [ -0.0001907700000000, 0.0001650400000000, -0.0002596800000000 ] - [ 0.0002877000000000, 0.0004110500000000, 0.0003001900000000 ] - [ 0.0001321900000000, 0.0000201100000000, 0.0003398900000000 ] - [ 0.0001158800000000, -0.0003522700000000, 0.0002988700000000 ] - [ -0.0002682800000000, -0.0002994500000000, 0.0003411000000000 ] - [ 0.0023623600000000, 0.0008490600000000, -0.0027202300000000 ] - [ -0.0049551000000000, -0.0003484500000000, -0.0060641200000000 ] - [ 0.0000289100000000, 0.0002997900000000, 0.0000827500000000 ] - [ 0.0000531500000000, 0.0003599900000000, 0.0001008900000000 ] - [ 0.0000110700000000, -0.0006712600000000, 0.0001614100000000 ] - [ 0.0002781800000000, -0.0001073400000000, -0.0003133000000000 ] - [ 0.0000392300000000, 0.0000314200000000, -0.0000368500000000 ] - [ -0.0001117400000000, 0.0007769100000000, -0.0000241900000000 ] - [ 0.0003560300000000, 0.0008037500000000, -0.0001871200000000 ] - [ -0.0005178100000000, 0.0009537400000000, 0.0000476200000000 ] - [ -0.0001350900000000, -0.0000650900000000, -0.0001356000000000 ] - [ -0.0005507300000000, -0.0001824200000000, -0.0002584800000000 ] - [ 0.0015857700000000, -0.0004400700000000, -0.0000914300000000 ] - [ -0.0056117900000000, 0.0024451800000000, 0.0048618200000000 ] - [ 0.0002674900000000, -0.0002263800000000, 0.0000638800000000 ] - [ 0.0002381600000000, -0.0001879000000000, 0.0000614600000000 ] - [ -0.0032296400000000, 0.0006352800000000, -0.0020819800000000 ] - [ 0.0016551700000000, -0.0025379500000000, -0.0043923600000000 ] - [ 0.0000918400000000, -0.0001267300000000, 0.0000538100000000 ] - [ 0.0001197000000000, 0.0000632000000000, 0.0000310000000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001444500000000, 0.0012343000000000, -0.0018159400000000 ] - [ -0.0002333000000000, -0.0007317400000000, -0.0008180600000000 ] - [ 0.0000304600000000, 0.0003522200000000, -0.0021497000000000 ] - [ 0.0003425400000000, -0.0002928400000000, -0.0008693900000000 ] - [ 0.0015210700000000, -0.0014413900000000, 0.0018191000000000 ] - [ -0.0004248300000000, -0.0005706100000000, 0.0005685500000000 ] - [ -0.0000921400000000, 0.0003839100000000, 0.0006787100000000 ] - [ 0.0003346700000000, 0.0003372100000000, 0.0002710900000000 ] - [ 0.0016000100000000, -0.0000405600000000, -0.0145684600000000 ] - [ -0.0014822200000000, -0.0021315300000000, -0.0009739900000000 ] - [ 0.0001799200000000, 0.0003001800000000, -0.0005053500000000 ] - [ -0.0000563900000000, 0.0002808600000000, -0.0003406300000000 ] - [ 0.0003070500000000, 0.0002094900000000, 0.0025111300000000 ] - [ 0.0003703600000000, -0.0001708500000000, 0.0022490300000000 ] - [ -0.0000069900000000, 0.0004378300000000, 0.0002450700000000 ] - [ -0.0000851300000000, 0.0004123800000000, -0.0000265200000000 ] - [ 0.0007476100000000, 0.0004135000000000, -0.0122499100000000 ] - [ -0.0005021100000000, 0.0005609700000000, -0.0017874700000000 ] - [ -0.0000315400000000, 0.0006211000000000, 0.0001420500000000 ] - [ 0.0001054600000000, 0.0006246000000000, 0.0000776900000000 ] - [ 0.0033121400000000, 0.0017022000000000, 0.0052357500000000 ] - [ -0.0015842400000000, 0.0011972300000000, 0.0009871500000000 ] - [ 0.0000179800000000, -0.0003523600000000, 0.0002527700000000 ] - [ -0.0001351000000000, -0.0001187700000000, 0.0002964900000000 ] - [ -0.0021500100000000, 0.0010517000000000, -0.0012593500000000 ] - [ 0.0015459200000000, -0.0016106300000000, -0.0091695900000000 ] - [ -0.0000754800000000, 0.0000037700000000, 0.0001695900000000 ] - [ 0.0001070400000000, 0.0001001400000000, 0.0001699300000000 ] - [ -0.0000203300000000, -0.0001825400000000, 0.0015819600000000 ] - [ -0.0039572400000000, 0.0004854200000000, 0.0097226900000000 ] - [ -0.0000404500000000, -0.0000660400000000, 0.0002725500000000 ] - [ -0.0000478300000000, -0.0000217400000000, 0.0002691700000000 ] - [ 0.0257102900000000, -0.0207842000000000, -0.0722517900000000 ] - [ 0.0003542800000000, 0.0013348300000000, -0.0014825600000000 ] - [ 0.0000040500000000, 0.0000929400000000, -0.0001062200000000 ] - [ 0.0000400700000000, -0.0000033100000000, -0.0000395400000000 ] - [ -0.0025767600000000, -0.0013365000000000, 0.0108175000000000 ] - [ 0.0003192100000000, -0.0007704900000000, 0.0033104800000000 ] - [ -0.0000235300000000, 0.0003218600000000, 0.0003365700000000 ] - [ -0.0000497500000000, 0.0003892300000000, 0.0003155700000000 ] - [ -0.0000676900000000, -0.0010188300000000, 0.0000365800000000 ] - [ -0.0001361900000000, 0.0001351700000000, -0.0002731800000000 ] - [ -0.0031877100000000, 0.0021394100000000, 0.0003037300000000 ] - [ 0.0020825100000000, 0.0031475300000000, -0.0023363100000000 ] - [ 0.0015350700000000, -0.0014406600000000, 0.0006047200000000 ] - [ -0.0014149800000000, -0.0030757100000000, 0.0009254200000000 ] - [ 0.0001463400000000, 0.0004567800000000, -0.0000982300000000 ] - [ -0.0003910900000000, 0.0008801700000000, 0.0004544100000000 ] - [ 0.0000506400000000, 0.0014965600000000, -0.0018352700000000 ] - [ -0.0008890500000000, -0.0002161600000000, -0.0006884100000000 ] - [ -0.0001440400000000, -0.0004805400000000, -0.0002799000000000 ] - [ -0.0001621100000000, -0.0004246300000000, -0.0002037300000000 ] - [ 0.0010500600000000, 0.0023099200000000, -0.0000679100000000 ] - [ -0.0001985900000000, 0.0001706600000000, 0.0000159000000000 ] - [ -0.0003140500000000, -0.0006578200000000, -0.0000798600000000 ] - [ -0.0003256800000000, -0.0003158100000000, 0.0000568400000000 ] - [ 0.0101431400000000, 0.0021617500000000, -0.0305269300000000 ] - [ 0.0002696100000000, 0.0004205500000000, 0.0000415800000000 ] - [ 0.0002294500000000, 0.0002301600000000, -0.0000007100000000 ] - [ 0.0002421000000000, 0.0002637100000000, -0.0000132400000000 ] - [ -0.0001491000000000, 0.0003621800000000, -0.0076593000000000 ] - [ 0.0000126300000000, 0.0000633500000000, -0.0008933700000000 ] - [ -0.0002420500000000, -0.0001379300000000, -0.0001627800000000 ] - [ -0.0002133200000000, -0.0001477700000000, -0.0001647600000000 ] - [ 0.0003015100000000, -0.0002877100000000, -0.0009483300000000 ] - [ 0.0002406800000000, -0.0000331000000000, -0.0003559800000000 ] - [ -0.0001155000000000, 0.0007819000000000, -0.0006162900000000 ] - [ -0.0001356900000000, 0.0002525000000000, -0.0004012600000000 ] - [ -0.0386530600000000, 0.0319100300000000, 0.1365260700000000 ] - [ 0.0007105300000000, -0.0002234100000000, 0.0006265000000000 ] - [ -0.0000637800000000, -0.0000988400000000, 0.0001999000000000 ] - [ -0.0000559300000000, -0.0000966400000000, 0.0001947000000000 ] - [ -0.0007892600000000, -0.0000808600000000, -0.0032653100000000 ] - [ 0.0002855800000000, 0.0001444800000000, -0.0003121400000000 ] - [ 0.0000524300000000, -0.0000325600000000, 0.0000042400000000 ] - [ 0.0000551100000000, -0.0000674500000000, 0.0000408300000000 ] - [ 0.0028811600000000, -0.0072985600000000, 0.0016411500000000 ] - [ -0.0004239900000000, -0.0001968800000000, 0.0005940300000000 ] - [ -0.0001614600000000, -0.0000089500000000, -0.0000548300000000 ] - [ 0.0001357600000000, -0.0002566300000000, -0.0001196400000000 ] - [ -0.0016781500000000, -0.0127065200000000, -0.0054184200000000 ] - [ 0.0010177600000000, 0.0000554500000000, 0.0006787900000000 ] - [ 0.0002229900000000, 0.0000628400000000, 0.0000693700000000 ] - [ 0.0001857200000000, 0.0000459500000000, -0.0000021500000000 ] - [ 0.0006549400000000, 0.0030572800000000, -0.0051669100000000 ] - [ -0.0004543300000000, 0.0002346800000000, -0.0001222000000000 ] - [ -0.0001858800000000, -0.0004978000000000, -0.0001358000000000 ] - [ -0.0002200900000000, -0.0005062600000000, -0.0001117500000000 ] - [ 0.0002243500000000, 0.0007524600000000, -0.0002711900000000 ] - [ 0.0003439500000000, 0.0002827600000000, -0.0001626600000000 ] - [ 0.0002345000000000, -0.0002064200000000, -0.0010761000000000 ] - [ -0.0009544200000000, -0.0007989600000000, -0.0005893000000000 ] - [ -0.0012742200000000, 0.0022883300000000, 0.0005725600000000 ] - [ 0.0002639400000000, 0.0000925700000000, -0.0001116800000000 ] - [ 0.0005761000000000, -0.0009472700000000, 0.0002673400000000 ] - [ -0.0002021800000000, -0.0001963200000000, 0.0000764600000000 ] - [ 0.0002496600000000, -0.0003424900000000, -0.0021410700000000 ] - [ 0.0015923900000000, 0.0006986900000000, -0.0009611600000000 ] - [ -0.0001345400000000, 0.0001078500000000, 0.0001034400000000 ] - [ -0.0001154200000000, 0.0000790200000000, 0.0001034100000000 ] - [ 0.0041703200000000, 0.0008825100000000, -0.0037567200000000 ] - [ -0.0032997200000000, 0.0025540800000000, -0.0010888100000000 ] - [ -0.0001929300000000, 0.0001206800000000, 0.0000619700000000 ] - [ -0.0002062600000000, 0.0000870600000000, 0.0000736900000000 ] - [ 0.0006804700000000, -0.0009424700000000, -0.0003508500000000 ] - [ -0.0058964700000000, -0.0059140600000000, -0.0041009600000000 ] - [ 0.0002353800000000, -0.0002061400000000, -0.0000717500000000 ] - [ 0.0002178600000000, -0.0003962000000000, 0.0000225600000000 ] - [ -0.0021061600000000, 0.0011408100000000, -0.0029283400000000 ] - [ 0.0006556900000000, 0.0009103500000000, -0.0003963600000000 ] - [ -0.0001691100000000, -0.0000970300000000, 0.0001045800000000 ] - [ -0.0000684200000000, -0.0001497500000000, 0.0000567400000000 ] - [ 0.0002589400000000, 0.0006571700000000, -0.0020407300000000 ] - [ 0.0003687400000000, -0.0005334400000000, -0.0010442100000000 ] - [ -0.0000943200000000, -0.0002970000000000, 0.0000456800000000 ] - [ -0.0000552700000000, -0.0003156100000000, 0.0000459100000000 ] - [ -0.0002585800000000, 0.0007589700000000, 0.0020182700000000 ] - [ -0.0011286000000000, -0.0012113800000000, 0.0020285900000000 ] - [ -0.0000133000000000, 0.0001714500000000, -0.0000147700000000 ] - [ 0.0001104000000000, -0.0001722300000000, -0.0000138800000000 ] - [ -0.0002046200000000, -0.0004087600000000, -0.0005765100000000 ] - [ -0.0000498200000000, -0.0000157800000000, -0.0006186000000000 ] - [ -0.0000310800000000, 0.0003550800000000, -0.0005775000000000 ] - [ 0.0003497300000000, 0.0002964300000000, -0.0006174500000000 ] - [ -0.0024011100000000, -0.0004206900000000, 0.0030048100000000 ] - [ 0.0050607900000000, 0.0008054100000000, 0.0063126600000000 ] - [ -0.0000048300000000, 0.0001332400000000, 0.0002244800000000 ] - [ -0.0000293800000000, 0.0000725800000000, 0.0002061600000000 ] - [ 0.0003937300000000, 0.0005197200000000, 0.0000655000000000 ] - [ 0.0001305000000000, -0.0000381600000000, 0.0005435200000000 ] - [ 0.0003705300000000, -0.0001754400000000, 0.0002575200000000 ] - [ 0.0005210600000000, -0.0009256600000000, 0.0002444900000000 ] - [ -0.0007960800000000, -0.0001229100000000, 0.0002696600000000 ] - [ 0.0000752500000000, -0.0002765800000000, 0.0000285500000000 ] - [ -0.0003069000000000, 0.0007466500000000, 0.0002212200000000 ] - [ 0.0001079300000000, 0.0008609700000000, 0.0003446200000000 ] - [ -0.0011197800000000, 0.0000597200000000, 0.0003126800000000 ] - [ 0.0060613500000000, -0.0028091800000000, -0.0046510300000000 ] - [ 0.0001940100000000, -0.0001544000000000, 0.0001708700000000 ] - [ 0.0002231200000000, -0.0001937100000000, 0.0001736400000000 ] - [ 0.0034828700000000, -0.0010774800000000, 0.0023865600000000 ] - [ -0.0013205900000000, 0.0020313300000000, 0.0046755700000000 ] - [ 0.0001728100000000, -0.0003122800000000, 0.0002646500000000 ] - [ 0.0001445000000000, -0.0005048200000000, 0.0002873300000000 ]