# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/950e49fa-14e2-4355-8e50-e9223b61eb5b/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 NaHCO3 / P2_1/c (14) / materials id 696396](https://mdr.nims.go.jp/datasets/35b470f8-40fd-40a0-b494-c0d6c7302557) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 3.463630240000000, 0.000000000000000, -0.008619750000000 ] # a - [ 0.000000000000000, 9.745375310000000, 0.000000000000000 ] # b - [ -3.017443540000000, 0.000000000000000, 7.355772800000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.074463330000000, 0.495660310000000, 0.784674130000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.925536670000000, 0.995660310000000, 0.715325870000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.925536670000000, 0.504339690000000, 0.215325870000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.074463330000000, 0.004339690000000, 0.284674130000000 ] mass: 22.989769 - symbol: H # 5 coordinates: [ 0.790761780000000, 0.254821210000000, 0.341624170000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.209238220000000, 0.754821210000000, 0.158375830000000 ] mass: 1.007940 - symbol: H # 7 coordinates: [ 0.209238220000000, 0.745178790000000, 0.658375830000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.790761780000000, 0.245178790000000, 0.841624170000000 ] mass: 1.007940 - symbol: C # 9 coordinates: [ 0.280700070000000, 0.258892200000000, 0.574581280000000 ] mass: 12.010700 - symbol: C # 10 coordinates: [ 0.719299930000000, 0.758892200000000, 0.925418720000000 ] mass: 12.010700 - symbol: C # 11 coordinates: [ 0.719299930000000, 0.741107800000000, 0.425418720000000 ] mass: 12.010700 - symbol: C # 12 coordinates: [ 0.280700070000000, 0.241107800000000, 0.074581280000000 ] mass: 12.010700 - symbol: O # 13 coordinates: [ 0.303800140000000, 0.129424940000000, 0.570234650000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.696199860000000, 0.629424940000000, 0.929765350000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.696199860000000, 0.870575060000000, 0.429765350000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.303800140000000, 0.370575060000000, 0.070234650000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.515559150000000, 0.333603420000000, 0.708232310000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.484440850000000, 0.833603420000000, 0.791767690000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.484440850000000, 0.666396580000000, 0.291767690000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.515559150000000, 0.166396580000000, 0.208232310000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.996295720000000, 0.326459210000000, 0.437523880000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.003704280000000, 0.826459210000000, 0.062476120000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.003704280000000, 0.673540790000000, 0.562476120000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.996295720000000, 0.173540790000000, 0.937523880000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.289009464707489, 0.000000000000000, 0.118555829005549 ] # a* - [ 0.000000000000000, 0.102612774592054, 0.000000000000000 ] # b* - [ 0.000338671326745, 0.000000000000000, 0.136086574289933 ] # c*unit_cell: lattice: - [ 3.463630240000000, 0.000000000000000, -0.008619750000000 ] # a - [ 0.000000000000000, 9.745375310000000, 0.000000000000000 ] # b - [ -3.017443540000000, 0.000000000000000, 7.355772800000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.074463330000000, 0.495660310000000, 0.784674130000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.925536670000000, 0.995660310000000, 0.715325870000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.925536670000000, 0.504339690000000, 0.215325870000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.074463330000000, 0.004339690000000, 0.284674130000000 ] mass: 22.989769 reduced_to: 4 - symbol: H # 5 coordinates: [ 0.790761780000000, 0.254821210000000, 0.341624170000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.209238220000000, 0.754821210000000, 0.158375830000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.209238220000000, 0.745178790000000, 0.658375830000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.790761780000000, 0.245178790000000, 0.841624170000000 ] mass: 1.007940 reduced_to: 8 - symbol: C # 9 coordinates: [ 0.280700070000000, 0.258892200000000, 0.574581280000000 ] mass: 12.010700 reduced_to: 9 - symbol: C # 10 coordinates: [ 0.719299930000000, 0.758892200000000, 0.925418720000000 ] mass: 12.010700 reduced_to: 10 - symbol: C # 11 coordinates: [ 0.719299930000000, 0.741107800000000, 0.425418720000000 ] mass: 12.010700 reduced_to: 11 - symbol: C # 12 coordinates: [ 0.280700070000000, 0.241107800000000, 0.074581280000000 ] mass: 12.010700 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.303800140000000, 0.129424940000000, 0.570234650000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.696199860000000, 0.629424940000000, 0.929765350000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.696199860000000, 0.870575060000000, 0.429765350000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.303800140000000, 0.370575060000000, 0.070234650000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.515559150000000, 0.333603420000000, 0.708232310000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.484440850000000, 0.833603420000000, 0.791767690000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.484440850000000, 0.666396580000000, 0.291767690000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.515559150000000, 0.166396580000000, 0.208232310000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.996295720000000, 0.326459210000000, 0.437523880000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.003704280000000, 0.826459210000000, 0.062476120000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.003704280000000, 0.673540790000000, 0.562476120000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.996295720000000, 0.173540790000000, 0.937523880000000 ] mass: 15.999400 reduced_to: 24supercell: lattice: - [ 10.390890720000000, 0.000000000000000, -0.025859250000000 ] # a - [ 0.000000000000000, 9.745375310000000, 0.000000000000000 ] # b - [ -6.034887080000000, 0.000000000000000, 14.711545599999999 ] # c points: - symbol: Na # 1 coordinates: [ 0.024821110000000, 0.495660310000000, 0.392337065000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.358154443333333, 0.495660310000000, 0.392337065000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.691487776666667, 0.495660310000000, 0.392337065000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.024821110000000, 0.495660310000000, 0.892337065000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 5 coordinates: [ 0.358154443333333, 0.495660310000000, 0.892337065000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 6 coordinates: [ 0.691487776666667, 0.495660310000000, 0.892337065000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 7 coordinates: [ 0.308512223333333, 0.995660310000000, 0.357662935000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.641845556666667, 0.995660310000000, 0.357662935000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 9 coordinates: [ 0.975178890000000, 0.995660310000000, 0.357662935000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 10 coordinates: [ 0.308512223333333, 0.995660310000000, 0.857662935000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 11 coordinates: [ 0.641845556666667, 0.995660310000000, 0.857662935000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 12 coordinates: [ 0.975178890000000, 0.995660310000000, 0.857662935000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 13 coordinates: [ 0.308512223333333, 0.504339690000000, 0.107662935000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.641845556666667, 0.504339690000000, 0.107662935000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 15 coordinates: [ 0.975178890000000, 0.504339690000000, 0.107662935000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 16 coordinates: [ 0.308512223333333, 0.504339690000000, 0.607662935000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 17 coordinates: [ 0.641845556666667, 0.504339690000000, 0.607662935000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 18 coordinates: [ 0.975178890000000, 0.504339690000000, 0.607662935000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 19 coordinates: [ 0.024821110000000, 0.004339690000000, 0.142337065000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.358154443333333, 0.004339690000000, 0.142337065000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 21 coordinates: [ 0.691487776666667, 0.004339690000000, 0.142337065000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 22 coordinates: [ 0.024821110000000, 0.004339690000000, 0.642337065000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 23 coordinates: [ 0.358154443333333, 0.004339690000000, 0.642337065000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 24 coordinates: [ 0.691487776666667, 0.004339690000000, 0.642337065000000 ] mass: 22.989769 reduced_to: 19 - symbol: H # 25 coordinates: [ 0.263587260000000, 0.254821210000000, 0.170812085000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.596920593333333, 0.254821210000000, 0.170812085000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 27 coordinates: [ 0.930253926666667, 0.254821210000000, 0.170812085000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 28 coordinates: [ 0.263587260000000, 0.254821210000000, 0.670812085000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 29 coordinates: [ 0.596920593333333, 0.254821210000000, 0.670812085000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 30 coordinates: [ 0.930253926666667, 0.254821210000000, 0.670812085000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 31 coordinates: [ 0.069746073333333, 0.754821210000000, 0.079187915000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.403079406666667, 0.754821210000000, 0.079187915000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 33 coordinates: [ 0.736412740000000, 0.754821210000000, 0.079187915000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 34 coordinates: [ 0.069746073333333, 0.754821210000000, 0.579187915000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 35 coordinates: [ 0.403079406666667, 0.754821210000000, 0.579187915000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 36 coordinates: [ 0.736412740000000, 0.754821210000000, 0.579187915000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 37 coordinates: [ 0.069746073333333, 0.745178790000000, 0.329187915000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.403079406666667, 0.745178790000000, 0.329187915000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.736412740000000, 0.745178790000000, 0.329187915000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 40 coordinates: [ 0.069746073333333, 0.745178790000000, 0.829187915000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 41 coordinates: [ 0.403079406666667, 0.745178790000000, 0.829187915000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 42 coordinates: [ 0.736412740000000, 0.745178790000000, 0.829187915000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 43 coordinates: [ 0.263587260000000, 0.245178790000000, 0.420812085000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 44 coordinates: [ 0.596920593333333, 0.245178790000000, 0.420812085000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 45 coordinates: [ 0.930253926666667, 0.245178790000000, 0.420812085000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 46 coordinates: [ 0.263587260000000, 0.245178790000000, 0.920812085000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 47 coordinates: [ 0.596920593333333, 0.245178790000000, 0.920812085000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 48 coordinates: [ 0.930253926666667, 0.245178790000000, 0.920812085000000 ] mass: 1.007940 reduced_to: 43 - symbol: C # 49 coordinates: [ 0.093566690000000, 0.258892200000000, 0.287290640000000 ] mass: 12.010700 reduced_to: 49 - symbol: C # 50 coordinates: [ 0.426900023333333, 0.258892200000000, 0.287290640000000 ] mass: 12.010700 reduced_to: 49 - symbol: C # 51 coordinates: [ 0.760233356666667, 0.258892200000000, 0.287290640000000 ] mass: 12.010700 reduced_to: 49 - symbol: C # 52 coordinates: [ 0.093566690000000, 0.258892200000000, 0.787290640000000 ] mass: 12.010700 reduced_to: 49 - symbol: C # 53 coordinates: [ 0.426900023333333, 0.258892200000000, 0.787290640000000 ] mass: 12.010700 reduced_to: 49 - symbol: C # 54 coordinates: [ 0.760233356666667, 0.258892200000000, 0.787290640000000 ] mass: 12.010700 reduced_to: 49 - symbol: C # 55 coordinates: [ 0.239766643333333, 0.758892200000000, 0.462709360000000 ] mass: 12.010700 reduced_to: 55 - symbol: C # 56 coordinates: [ 0.573099976666667, 0.758892200000000, 0.462709360000000 ] mass: 12.010700 reduced_to: 55 - symbol: C # 57 coordinates: [ 0.906433310000000, 0.758892200000000, 0.462709360000000 ] mass: 12.010700 reduced_to: 55 - symbol: C # 58 coordinates: [ 0.239766643333333, 0.758892200000000, 0.962709360000000 ] mass: 12.010700 reduced_to: 55 - symbol: C # 59 coordinates: [ 0.573099976666667, 0.758892200000000, 0.962709360000000 ] mass: 12.010700 reduced_to: 55 - symbol: C # 60 coordinates: [ 0.906433310000000, 0.758892200000000, 0.962709360000000 ] mass: 12.010700 reduced_to: 55 - symbol: C # 61 coordinates: [ 0.239766643333333, 0.741107800000000, 0.212709360000000 ] mass: 12.010700 reduced_to: 61 - symbol: C # 62 coordinates: [ 0.573099976666667, 0.741107800000000, 0.212709360000000 ] mass: 12.010700 reduced_to: 61 - symbol: C # 63 coordinates: [ 0.906433310000000, 0.741107800000000, 0.212709360000000 ] mass: 12.010700 reduced_to: 61 - symbol: C # 64 coordinates: [ 0.239766643333333, 0.741107800000000, 0.712709360000000 ] mass: 12.010700 reduced_to: 61 - symbol: C # 65 coordinates: [ 0.573099976666667, 0.741107800000000, 0.712709360000000 ] mass: 12.010700 reduced_to: 61 - symbol: C # 66 coordinates: [ 0.906433310000000, 0.741107800000000, 0.712709360000000 ] mass: 12.010700 reduced_to: 61 - symbol: C # 67 coordinates: [ 0.093566690000000, 0.241107800000000, 0.037290640000000 ] mass: 12.010700 reduced_to: 67 - symbol: C # 68 coordinates: [ 0.426900023333333, 0.241107800000000, 0.037290640000000 ] mass: 12.010700 reduced_to: 67 - symbol: C # 69 coordinates: [ 0.760233356666667, 0.241107800000000, 0.037290640000000 ] mass: 12.010700 reduced_to: 67 - symbol: C # 70 coordinates: [ 0.093566690000000, 0.241107800000000, 0.537290640000000 ] mass: 12.010700 reduced_to: 67 - symbol: C # 71 coordinates: [ 0.426900023333333, 0.241107800000000, 0.537290640000000 ] mass: 12.010700 reduced_to: 67 - symbol: C # 72 coordinates: [ 0.760233356666667, 0.241107800000000, 0.537290640000000 ] mass: 12.010700 reduced_to: 67 - symbol: O # 73 coordinates: [ 0.101266713333333, 0.129424940000000, 0.285117325000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.434600046666667, 0.129424940000000, 0.285117325000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.767933380000000, 0.129424940000000, 0.285117325000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.101266713333333, 0.129424940000000, 0.785117325000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.434600046666667, 0.129424940000000, 0.785117325000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.767933380000000, 0.129424940000000, 0.785117325000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.232066620000000, 0.629424940000000, 0.464882675000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.565399953333333, 0.629424940000000, 0.464882675000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.898733286666667, 0.629424940000000, 0.464882675000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 82 coordinates: [ 0.232066620000000, 0.629424940000000, 0.964882675000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 83 coordinates: [ 0.565399953333333, 0.629424940000000, 0.964882675000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 84 coordinates: [ 0.898733286666667, 0.629424940000000, 0.964882675000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 85 coordinates: [ 0.232066620000000, 0.870575060000000, 0.214882675000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.565399953333333, 0.870575060000000, 0.214882675000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.898733286666667, 0.870575060000000, 0.214882675000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.232066620000000, 0.870575060000000, 0.714882675000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.565399953333333, 0.870575060000000, 0.714882675000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 90 coordinates: [ 0.898733286666667, 0.870575060000000, 0.714882675000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 91 coordinates: [ 0.101266713333333, 0.370575060000000, 0.035117325000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.434600046666667, 0.370575060000000, 0.035117325000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.767933380000000, 0.370575060000000, 0.035117325000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 94 coordinates: [ 0.101266713333333, 0.370575060000000, 0.535117325000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 95 coordinates: [ 0.434600046666667, 0.370575060000000, 0.535117325000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 96 coordinates: [ 0.767933380000000, 0.370575060000000, 0.535117325000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 97 coordinates: [ 0.171853050000000, 0.333603420000000, 0.354116155000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.505186383333333, 0.333603420000000, 0.354116155000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.838519716666667, 0.333603420000000, 0.354116155000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.171853050000000, 0.333603420000000, 0.854116155000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.505186383333333, 0.333603420000000, 0.854116155000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 102 coordinates: [ 0.838519716666667, 0.333603420000000, 0.854116155000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 103 coordinates: [ 0.161480283333333, 0.833603420000000, 0.395883845000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.494813616666667, 0.833603420000000, 0.395883845000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.828146950000000, 0.833603420000000, 0.395883845000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 106 coordinates: [ 0.161480283333333, 0.833603420000000, 0.895883845000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 107 coordinates: [ 0.494813616666667, 0.833603420000000, 0.895883845000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 108 coordinates: [ 0.828146950000000, 0.833603420000000, 0.895883845000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 109 coordinates: [ 0.161480283333333, 0.666396580000000, 0.145883845000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.494813616666667, 0.666396580000000, 0.145883845000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.828146950000000, 0.666396580000000, 0.145883845000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.161480283333333, 0.666396580000000, 0.645883845000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.494813616666667, 0.666396580000000, 0.645883845000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 114 coordinates: [ 0.828146950000000, 0.666396580000000, 0.645883845000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 115 coordinates: [ 0.171853050000000, 0.166396580000000, 0.104116155000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.505186383333333, 0.166396580000000, 0.104116155000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 117 coordinates: [ 0.838519716666667, 0.166396580000000, 0.104116155000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 118 coordinates: [ 0.171853050000000, 0.166396580000000, 0.604116155000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 119 coordinates: [ 0.505186383333333, 0.166396580000000, 0.604116155000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 120 coordinates: [ 0.838519716666667, 0.166396580000000, 0.604116155000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 121 coordinates: [ 0.332098573333333, 0.326459210000000, 0.218761940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.665431906666667, 0.326459210000000, 0.218761940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.998765240000000, 0.326459210000000, 0.218761940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.332098573333333, 0.326459210000000, 0.718761940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.665431906666667, 0.326459210000000, 0.718761940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 126 coordinates: [ 0.998765240000000, 0.326459210000000, 0.718761940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 127 coordinates: [ 0.001234760000000, 0.826459210000000, 0.031238060000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.334568093333333, 0.826459210000000, 0.031238060000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 129 coordinates: [ 0.667901426666667, 0.826459210000000, 0.031238060000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 130 coordinates: [ 0.001234760000000, 0.826459210000000, 0.531238060000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 131 coordinates: [ 0.334568093333333, 0.826459210000000, 0.531238060000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 132 coordinates: [ 0.667901426666667, 0.826459210000000, 0.531238060000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 133 coordinates: [ 0.001234760000000, 0.673540790000000, 0.281238060000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.334568093333333, 0.673540790000000, 0.281238060000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.667901426666667, 0.673540790000000, 0.281238060000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 136 coordinates: [ 0.001234760000000, 0.673540790000000, 0.781238060000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 137 coordinates: [ 0.334568093333333, 0.673540790000000, 0.781238060000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 138 coordinates: [ 0.667901426666667, 0.673540790000000, 0.781238060000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 139 coordinates: [ 0.332098573333333, 0.173540790000000, 0.468761940000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.665431906666667, 0.173540790000000, 0.468761940000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 141 coordinates: [ 0.998765240000000, 0.173540790000000, 0.468761940000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 142 coordinates: [ 0.332098573333333, 0.173540790000000, 0.968761940000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 143 coordinates: [ 0.665431906666667, 0.173540790000000, 0.968761940000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 144 coordinates: [ 0.998765240000000, 0.173540790000000, 0.968761940000000 ] mass: 15.999400 reduced_to: 139born_effective_charge:- # 1 (Na) - [ 1.039729710000000, 0.008814570000000, -0.003839350000000 ] - [ 0.007403060000000, 1.332987830000000, 0.016979360000000 ] - [ -0.016657790000000, 0.013560350000000, 1.061243530000000 ]- # 2 (Na) - [ 1.039729710000000, -0.008814570000000, -0.003839350000000 ] - [ -0.007403060000000, 1.332987830000000, -0.016979360000000 ] - [ -0.016657790000000, -0.013560350000000, 1.061243530000000 ]- # 3 (Na) - [ 1.039729710000000, 0.008814570000000, -0.003839350000000 ] - [ 0.007403060000000, 1.332987830000000, 0.016979360000000 ] - [ -0.016657790000000, 0.013560350000000, 1.061243530000000 ]- # 4 (Na) - [ 1.039729710000000, -0.008814570000000, -0.003839350000000 ] - [ -0.007403060000000, 1.332987830000000, -0.016979360000000 ] - [ -0.016657790000000, -0.013560350000000, 1.061243530000000 ]- # 5 (H) - [ 0.700583780000000, 0.513396210000000, 0.638417590000000 ] - [ 0.194735930000000, 0.420624510000000, 0.324048470000000 ] - [ 0.650448700000000, 0.943715280000000, 1.510624160000000 ]- # 6 (H) - [ 0.700583780000000, -0.513396210000000, 0.638417590000000 ] - [ -0.194735930000000, 0.420624510000000, -0.324048470000000 ] - [ 0.650448700000000, -0.943715280000000, 1.510624160000000 ]- # 7 (H) - [ 0.700583780000000, 0.513396210000000, 0.638417590000000 ] - [ 0.194735930000000, 0.420624510000000, 0.324048470000000 ] - [ 0.650448700000000, 0.943715280000000, 1.510624160000000 ]- # 8 (H) - [ 0.700583780000000, -0.513396210000000, 0.638417590000000 ] - [ -0.194735930000000, 0.420624510000000, -0.324048470000000 ] - [ 0.650448700000000, -0.943715280000000, 1.510624160000000 ]- # 9 (C) - [ 1.028677330000000, -0.133195690000000, 1.101194600000000 ] - [ -0.123772210000000, 2.308582390000000, 0.169569940000000 ] - [ 1.097556040000000, 0.186950420000000, 2.653975090000000 ]- # 10 (C) - [ 1.028677330000000, 0.133195690000000, 1.101194600000000 ] - [ 0.123772210000000, 2.308582390000000, -0.169569940000000 ] - [ 1.097556040000000, -0.186950420000000, 2.653975090000000 ]- # 11 (C) - [ 1.028677330000000, -0.133195690000000, 1.101194600000000 ] - [ -0.123772210000000, 2.308582390000000, 0.169569940000000 ] - [ 1.097556040000000, 0.186950420000000, 2.653975090000000 ]- # 12 (C) - [ 1.028677330000000, 0.133195690000000, 1.101194600000000 ] - [ 0.123772210000000, 2.308582390000000, -0.169569940000000 ] - [ 1.097556040000000, -0.186950420000000, 2.653975090000000 ]- # 13 (O) - [ -0.763224900000000, 0.095159560000000, -0.164303390000000 ] - [ 0.062560690000000, -1.903647990000000, -0.024814700000000 ] - [ -0.138661780000000, -0.063156720000000, -1.007561610000000 ]- # 14 (O) - [ -0.763224900000000, -0.095159560000000, -0.164303390000000 ] - [ -0.062560690000000, -1.903647990000000, 0.024814700000000 ] - [ -0.138661780000000, 0.063156720000000, -1.007561610000000 ]- # 15 (O) - [ -0.763224900000000, 0.095159560000000, -0.164303390000000 ] - [ 0.062560690000000, -1.903647990000000, -0.024814700000000 ] - [ -0.138661780000000, -0.063156720000000, -1.007561610000000 ]- # 16 (O) - [ -0.763224900000000, -0.095159560000000, -0.164303390000000 ] - [ -0.062560690000000, -1.903647990000000, 0.024814700000000 ] - [ -0.138661780000000, 0.063156720000000, -1.007561610000000 ]- # 17 (O) - [ -1.007910600000000, -0.018131190000000, -0.714847540000000 ] - [ -0.103975940000000, -1.217387510000000, -0.380922940000000 ] - [ -0.724615030000000, -0.214387210000000, -2.087266350000000 ]- # 18 (O) - [ -1.007910600000000, 0.018131190000000, -0.714847540000000 ] - [ 0.103975940000000, -1.217387510000000, 0.380922940000000 ] - [ -0.724615030000000, 0.214387210000000, -2.087266350000000 ]- # 19 (O) - [ -1.007910600000000, -0.018131190000000, -0.714847540000000 ] - [ -0.103975940000000, -1.217387510000000, -0.380922940000000 ] - [ -0.724615030000000, -0.214387210000000, -2.087266350000000 ]- # 20 (O) - [ -1.007910600000000, 0.018131190000000, -0.714847540000000 ] - [ 0.103975940000000, -1.217387510000000, 0.380922940000000 ] - [ -0.724615030000000, 0.214387210000000, -2.087266350000000 ]- # 21 (O) - [ -0.997855310000000, -0.006035380000000, -0.856621900000000 ] - [ 0.112056180000000, -0.941159220000000, 0.229329640000000 ] - [ -0.868070120000000, -0.028153680000000, -2.131014820000000 ]- # 22 (O) - [ -0.997855310000000, 0.006035380000000, -0.856621900000000 ] - [ -0.112056180000000, -0.941159220000000, -0.229329640000000 ] - [ -0.868070120000000, 0.028153680000000, -2.131014820000000 ]- # 23 (O) - [ -0.997855310000000, -0.006035380000000, -0.856621900000000 ] - [ 0.112056180000000, -0.941159220000000, 0.229329640000000 ] - [ -0.868070120000000, -0.028153680000000, -2.131014820000000 ]- # 24 (O) - [ -0.997855310000000, 0.006035380000000, -0.856621900000000 ] - [ -0.112056180000000, -0.941159220000000, -0.229329640000000 ] - [ -0.868070120000000, 0.028153680000000, -2.131014820000000 ]dielectric_constant: - [ 2.107251670000000, 0.000000000000000, 0.292027710000000 ] - [ 0.000000000000000, 2.334606400000000, 0.000000000000000 ] - [ 0.292027630000000, 0.000000000000000, 2.523074650000000 ]displacements:- atom: 1 displacement: [ 0.0099999690333460, 0.0000000000000000, -0.0000248863842565 ] forces: - [ -0.0293051400000000, -0.0034274500000000, 0.0010324000000000 ] - [ 0.0047642900000000, -0.0002638900000000, 0.0001326400000000 ] - [ 0.0047494200000000, -0.0001719400000000, -0.0000317700000000 ] - [ -0.0000068600000000, -0.0001823800000000, 0.0000096500000000 ] - [ -0.0002022800000000, -0.0002486800000000, 0.0001924200000000 ] - [ -0.0001581400000000, -0.0002412100000000, 0.0002001400000000 ] - [ 0.0008342300000000, -0.0002909300000000, -0.0002924200000000 ] - [ 0.0010082700000000, -0.0002501700000000, -0.0001829700000000 ] - [ -0.0014858500000000, -0.0001046700000000, 0.0001088900000000 ] - [ 0.0000102900000000, -0.0002121400000000, -0.0001215100000000 ] - [ 0.0000829900000000, -0.0002153300000000, -0.0000492600000000 ] - [ 0.0002751500000000, -0.0002411400000000, -0.0002827200000000 ] - [ 0.0005962900000000, 0.0002428200000000, -0.0002630700000000 ] - [ -0.0001090800000000, 0.0000441000000000, 0.0006643600000000 ] - [ -0.0000675100000000, 0.0003639200000000, -0.0008826300000000 ] - [ -0.0002188200000000, 0.0000284500000000, 0.0019784600000000 ] - [ 0.0008943300000000, 0.0002512300000000, -0.0001325400000000 ] - [ 0.0002789300000000, 0.0004201700000000, -0.0021190400000000 ] - [ -0.0002235800000000, 0.0000540200000000, -0.0002729900000000 ] - [ 0.0003504500000000, 0.0002196200000000, 0.0000835500000000 ] - [ -0.0004913200000000, 0.0004159000000000, 0.0006169700000000 ] - [ -0.0002211400000000, 0.0000418600000000, -0.0002481200000000 ] - [ -0.0005385500000000, 0.0004091400000000, 0.0005376500000000 ] - [ 0.0003950100000000, 0.0002044700000000, 0.0001060000000000 ] - [ 0.0002653500000000, 0.0000852400000000, -0.0000366800000000 ] - [ 0.0008244400000000, 0.0011324900000000, 0.0014326200000000 ] - [ -0.0010825100000000, -0.0009367500000000, -0.0012297200000000 ] - [ -0.0002042600000000, -0.0001365900000000, -0.0001853100000000 ] - [ 0.0004463600000000, 0.0004502000000000, 0.0006435600000000 ] - [ -0.0000329300000000, -0.0000420300000000, -0.0002364100000000 ] - [ -0.0002306700000000, 0.0003218600000000, -0.0004504500000000 ] - [ 0.0002501700000000, -0.0002489900000000, 0.0003874600000000 ] - [ -0.0002439400000000, 0.0002452100000000, -0.0002389300000000 ] - [ -0.0012575700000000, 0.0008854600000000, -0.0015076600000000 ] - [ 0.0007027200000000, -0.0005051600000000, 0.0012264400000000 ] - [ 0.0003048100000000, -0.0000888200000000, -0.0000575200000000 ] - [ -0.0011731200000000, 0.0009016700000000, -0.0015140800000000 ] - [ 0.0005867700000000, 0.0003364800000000, 0.0003713800000000 ] - [ 0.0006355500000000, -0.0003072700000000, 0.0007629700000000 ] - [ -0.0001122900000000, -0.0001650800000000, -0.0002077300000000 ] - [ -0.0001403000000000, -0.0001471800000000, -0.0001029300000000 ] - [ 0.0000148700000000, 0.0000049300000000, 0.0000097700000000 ] - [ 0.0017788400000000, -0.0024298900000000, 0.0025457200000000 ] - [ 0.0007307600000000, -0.0003634300000000, 0.0004698300000000 ] - [ -0.0017624900000000, 0.0036784000000000, -0.0028756400000000 ] - [ 0.0001281100000000, -0.0001575600000000, 0.0001403600000000 ] - [ 0.0000138000000000, -0.0000453600000000, 0.0000771500000000 ] - [ 0.0000623500000000, -0.0000564900000000, 0.0000103200000000 ] - [ -0.0034736600000000, -0.0059055200000000, -0.0074997800000000 ] - [ 0.0004537600000000, -0.0002992300000000, 0.0005847200000000 ] - [ 0.0021697800000000, 0.0046236400000000, 0.0058413700000000 ] - [ -0.0007251900000000, -0.0000121500000000, -0.0005417500000000 ] - [ -0.0005733200000000, -0.0000226500000000, -0.0001331400000000 ] - [ -0.0003940200000000, -0.0002771100000000, -0.0000319700000000 ] - [ 0.0016248300000000, 0.0088684800000000, 0.0007086900000000 ] - [ 0.0014827200000000, -0.0000918500000000, 0.0009534400000000 ] - [ -0.0005494200000000, -0.0098929800000000, -0.0007352000000000 ] - [ 0.0006744100000000, 0.0000711600000000, 0.0003274500000000 ] - [ 0.0005154800000000, -0.0002135500000000, 0.0002619200000000 ] - [ 0.0004477900000000, -0.0001619300000000, -0.0000097000000000 ] - [ 0.0004835900000000, 0.0005093200000000, -0.0005445700000000 ] - [ 0.0017971100000000, -0.0007723400000000, 0.0026684600000000 ] - [ -0.0008846100000000, 0.0001855300000000, -0.0015833000000000 ] - [ 0.0002910300000000, -0.0000739200000000, -0.0001807600000000 ] - [ 0.0009754100000000, 0.0004799700000000, 0.0011284900000000 ] - [ 0.0003824000000000, -0.0000977800000000, -0.0003654400000000 ] - [ -0.0006462500000000, 0.0000765900000000, -0.0006021800000000 ] - [ -0.0002038600000000, -0.0001715200000000, 0.0005237400000000 ] - [ -0.0008419300000000, 0.0004353600000000, -0.0006405100000000 ] - [ -0.0016166600000000, -0.0005712200000000, -0.0018122400000000 ] - [ 0.0002232700000000, -0.0009385600000000, 0.0014391800000000 ] - [ -0.0002982900000000, 0.0017566300000000, -0.0005176500000000 ] - [ 0.0008838300000000, 0.0036709500000000, 0.0012180900000000 ] - [ -0.0004799400000000, 0.0001284500000000, -0.0003137300000000 ] - [ 0.0000973500000000, -0.0037854900000000, -0.0018638500000000 ] - [ 0.0001495100000000, -0.0000382000000000, -0.0001061800000000 ] - [ 0.0002208600000000, -0.0000140300000000, -0.0003048300000000 ] - [ -0.0000093200000000, 0.0001331800000000, -0.0002453200000000 ] - [ 0.0047426300000000, -0.0006986700000000, 0.0017112800000000 ] - [ -0.0012140900000000, 0.0000021800000000, 0.0002157200000000 ] - [ 0.0032799300000000, 0.0021646100000000, -0.0004229300000000 ] - [ -0.0002353200000000, -0.0000734400000000, 0.0002330800000000 ] - [ -0.0000136800000000, 0.0000911800000000, 0.0001498500000000 ] - [ -0.0001046800000000, 0.0000613500000000, 0.0003236700000000 ] - [ -0.0003032400000000, -0.0002426700000000, 0.0004949000000000 ] - [ -0.0005725000000000, 0.0007704000000000, -0.0003746900000000 ] - [ 0.0005993100000000, -0.0009264700000000, 0.0007712900000000 ] - [ 0.0001146400000000, 0.0000675100000000, 0.0003493200000000 ] - [ -0.0002398200000000, -0.0002581100000000, -0.0000748200000000 ] - [ -0.0002320600000000, 0.0001141000000000, 0.0004346200000000 ] - [ -0.0000063900000000, -0.0000147500000000, -0.0000176500000000 ] - [ -0.0000124100000000, 0.0001179600000000, -0.0004909900000000 ] - [ 0.0003836200000000, -0.0001939900000000, -0.0001555300000000 ] - [ 0.0029818400000000, 0.0004827700000000, -0.0002013400000000 ] - [ -0.0008401500000000, 0.0007796500000000, -0.0010252000000000 ] - [ -0.0008113200000000, -0.0011131200000000, 0.0003922000000000 ] - [ 0.0049566200000000, 0.0000156500000000, 0.0008981100000000 ] - [ -0.0010781900000000, -0.0000531700000000, -0.0005766700000000 ] - [ 0.0041412900000000, 0.0005293900000000, -0.0002512800000000 ] - [ 0.0001649600000000, 0.0000754500000000, -0.0000861700000000 ] - [ 0.0002200100000000, -0.0000650100000000, -0.0002270200000000 ] - [ 0.0000526300000000, -0.0000336300000000, -0.0002583400000000 ] - [ 0.0011158100000000, -0.0027692700000000, 0.0021517100000000 ] - [ -0.0010108700000000, 0.0000011200000000, -0.0002466000000000 ] - [ -0.0006829300000000, 0.0027739000000000, -0.0016402500000000 ] - [ -0.0001668700000000, 0.0000193300000000, 0.0002139000000000 ] - [ -0.0000821700000000, 0.0000607400000000, 0.0001820700000000 ] - [ -0.0001529500000000, -0.0001110300000000, 0.0002801600000000 ] - [ -0.0001785400000000, -0.0001122300000000, 0.0007015300000000 ] - [ -0.0008536900000000, -0.0001329500000000, -0.0009606100000000 ] - [ 0.0007774400000000, 0.0003566300000000, 0.0010651000000000 ] - [ 0.0008078700000000, -0.0002392700000000, 0.0008393000000000 ] - [ -0.0007437400000000, -0.0000205300000000, -0.0008364400000000 ] - [ -0.0004531400000000, 0.0002852800000000, 0.0006651000000000 ] - [ -0.0000341100000000, -0.0000446500000000, 0.0000847800000000 ] - [ -0.0004050000000000, -0.0002808500000000, -0.0012139900000000 ] - [ 0.0009232700000000, 0.0003725600000000, 0.0005958900000000 ] - [ 0.0005311200000000, -0.0002269500000000, 0.0007458400000000 ] - [ -0.0004923600000000, 0.0006194200000000, -0.0015546200000000 ] - [ 0.0002170100000000, -0.0004392500000000, 0.0003118300000000 ] - [ -0.0010246100000000, -0.0001384800000000, -0.0006826000000000 ] - [ -0.0018025900000000, -0.0008332700000000, -0.0034643400000000 ] - [ 0.0022461200000000, -0.0000244200000000, 0.0027770600000000 ] - [ -0.0000173200000000, -0.0002431900000000, -0.0003783600000000 ] - [ -0.0005602000000000, -0.0005467400000000, -0.0008081100000000 ] - [ -0.0001148600000000, -0.0004308600000000, -0.0000604200000000 ] - [ 0.0003421400000000, -0.0004626400000000, 0.0007389000000000 ] - [ -0.0000300700000000, -0.0002700000000000, 0.0001173600000000 ] - [ 0.0004225100000000, -0.0004903400000000, 0.0005002600000000 ] - [ 0.0026447200000000, 0.0020968400000000, 0.0032319100000000 ] - [ -0.0013635000000000, -0.0029003200000000, -0.0021283100000000 ] - [ -0.0004108100000000, -0.0005232200000000, 0.0000579900000000 ] - [ 0.0029994900000000, 0.0014839600000000, 0.0009346700000000 ] - [ -0.0005109400000000, -0.0001935500000000, 0.0008536200000000 ] - [ -0.0011222400000000, 0.0011943800000000, -0.0015597200000000 ] - [ 0.0003312000000000, 0.0003773800000000, 0.0007029000000000 ] - [ 0.0004507400000000, 0.0003793000000000, 0.0006978100000000 ] - [ -0.0000448100000000, 0.0004625500000000, -0.0000471100000000 ] - [ -0.0013396800000000, 0.0013760500000000, -0.0022684800000000 ] - [ -0.0009234800000000, 0.0002437900000000, -0.0006954300000000 ] - [ 0.0015402700000000, -0.0003356900000000, 0.0016841100000000 ] - [ -0.0004906800000000, 0.0003410700000000, -0.0008304900000000 ] - [ -0.0000502100000000, 0.0004104700000000, -0.0001816300000000 ] - [ -0.0001538600000000, 0.0004594900000000, -0.0002297700000000 ]- atom: 1 displacement: [ -0.0099999690333460, 0.0000000000000000, 0.0000248863842565 ] forces: - [ 0.0290435400000000, 0.0030368600000000, -0.0008458800000000 ] - [ -0.0049771300000000, -0.0002029400000000, 0.0001189100000000 ] - [ -0.0049905800000000, -0.0002810600000000, 0.0003321400000000 ] - [ -0.0002748800000000, -0.0002417200000000, 0.0002928100000000 ] - [ -0.0000686000000000, -0.0002170200000000, 0.0000568900000000 ] - [ -0.0000247000000000, -0.0002104700000000, 0.0000994500000000 ] - [ -0.0006549700000000, -0.0001592900000000, -0.0000060900000000 ] - [ -0.0007354800000000, -0.0002139800000000, -0.0000662800000000 ] - [ 0.0017680100000000, -0.0003181200000000, -0.0004117500000000 ] - [ 0.0001718600000000, -0.0002384100000000, -0.0001788100000000 ] - [ 0.0001884500000000, -0.0002492200000000, -0.0001992400000000 ] - [ 0.0000062800000000, -0.0001817100000000, -0.0000194300000000 ] - [ -0.0004146100000000, 0.0002090100000000, -0.0000378400000000 ] - [ 0.0003832600000000, 0.0004224900000000, -0.0009160800000000 ] - [ 0.0003445700000000, 0.0000609700000000, 0.0005832800000000 ] - [ 0.0003911500000000, 0.0004245900000000, -0.0022727200000000 ] - [ -0.0006238600000000, 0.0002162600000000, -0.0001158600000000 ] - [ 0.0000104700000000, 0.0000045000000000, 0.0018232100000000 ] - [ -0.0000607700000000, 0.0003692600000000, 0.0005759900000000 ] - [ -0.0006221900000000, 0.0002458400000000, 0.0001652500000000 ] - [ 0.0003117500000000, 0.0000347800000000, -0.0003175600000000 ] - [ -0.0000579600000000, 0.0003823500000000, 0.0005493600000000 ] - [ 0.0002644000000000, 0.0000562800000000, -0.0002880900000000 ] - [ -0.0005775100000000, 0.0002460800000000, 0.0001943600000000 ] - [ -0.0001223100000000, 0.0001015000000000, 0.0002078500000000 ] - [ -0.0006797300000000, -0.0009458700000000, -0.0012612000000000 ] - [ 0.0012350200000000, 0.0011264300000000, 0.0014079600000000 ] - [ 0.0003455700000000, 0.0003222600000000, 0.0003529300000000 ] - [ -0.0003009400000000, -0.0002616700000000, -0.0004679200000000 ] - [ 0.0001842400000000, 0.0002317000000000, 0.0004134900000000 ] - [ 0.0000792400000000, -0.0001320400000000, 0.0002739200000000 ] - [ -0.0003966300000000, 0.0004385700000000, -0.0005635100000000 ] - [ 0.0001013800000000, -0.0000601600000000, 0.0000704000000000 ] - [ 0.0011103100000000, -0.0006989600000000, 0.0013334800000000 ] - [ -0.0008494900000000, 0.0006946000000000, -0.0014021200000000 ] - [ -0.0004490100000000, 0.0002764200000000, -0.0001139000000000 ] - [ 0.0010017700000000, -0.0010986100000000, 0.0013309400000000 ] - [ -0.0007312700000000, -0.0005216600000000, -0.0005428700000000 ] - [ -0.0007786000000000, 0.0001299400000000, -0.0009316500000000 ] - [ -0.0000370800000000, -0.0000227100000000, 0.0000328600000000 ] - [ -0.0000054200000000, -0.0000404900000000, -0.0000710700000000 ] - [ -0.0001605300000000, -0.0001929600000000, -0.0001829900000000 ] - [ -0.0016318800000000, 0.0022349600000000, -0.0023758600000000 ] - [ -0.0005851100000000, 0.0001739800000000, -0.0002947400000000 ] - [ 0.0019342900000000, -0.0038757700000000, 0.0030629600000000 ] - [ 0.0000166600000000, -0.0000299600000000, 0.0000322800000000 ] - [ 0.0001310300000000, -0.0001418200000000, 0.0000962000000000 ] - [ 0.0000864900000000, -0.0001311400000000, 0.0001644600000000 ] - [ 0.0023616100000000, 0.0057076100000000, 0.0070636100000000 ] - [ -0.0015686300000000, 0.0000882500000000, -0.0010239600000000 ] - [ -0.0033024300000000, -0.0048457700000000, -0.0062611600000000 ] - [ -0.0003835000000000, -0.0001924500000000, 0.0001085000000000 ] - [ -0.0005407900000000, -0.0001816900000000, -0.0003033400000000 ] - [ -0.0007230800000000, 0.0000709600000000, -0.0004060500000000 ] - [ -0.0004915600000000, -0.0090722800000000, -0.0002553800000000 ] - [ -0.0003691500000000, -0.0001049300000000, -0.0005164900000000 ] - [ 0.0016486700000000, 0.0096840100000000, 0.0011876600000000 ] - [ 0.0004422800000000, -0.0002763500000000, 0.0001106000000000 ] - [ 0.0005975500000000, 0.0000091300000000, 0.0001736800000000 ] - [ 0.0006607600000000, -0.0000423800000000, 0.0004432200000000 ] - [ 0.0006265400000000, -0.0002961800000000, 0.0009731900000000 ] - [ -0.0006905700000000, 0.0009851700000000, -0.0022490000000000 ] - [ 0.0020173800000000, 0.0000038600000000, 0.0020443200000000 ] - [ 0.0008242700000000, 0.0002785800000000, 0.0006173700000000 ] - [ 0.0001361500000000, -0.0002737400000000, -0.0006945000000000 ] - [ 0.0007277600000000, 0.0003026700000000, 0.0008008000000000 ] - [ -0.0004642100000000, 0.0001280800000000, 0.0001677000000000 ] - [ -0.0009089900000000, 0.0003783000000000, -0.0009593200000000 ] - [ -0.0002752400000000, -0.0002300200000000, 0.0002022100000000 ] - [ 0.0005105100000000, 0.0008180600000000, 0.0013710700000000 ] - [ -0.0013383000000000, 0.0011280900000000, -0.0018718700000000 ] - [ -0.0008171200000000, -0.0015656300000000, 0.0000818500000000 ] - [ -0.0006504600000000, -0.0036132200000000, -0.0016619000000000 ] - [ 0.0007124800000000, -0.0000794400000000, -0.0001418200000000 ] - [ 0.0001521600000000, 0.0038387600000000, 0.0014074400000000 ] - [ 0.0000874100000000, 0.0000996600000000, -0.0003414300000000 ] - [ 0.0000123600000000, 0.0000583300000000, -0.0001505500000000 ] - [ 0.0002547200000000, -0.0000807800000000, -0.0002064800000000 ] - [ -0.0047719600000000, 0.0009491700000000, -0.0011343400000000 ] - [ 0.0009815100000000, 0.0000355300000000, 0.0002382900000000 ] - [ -0.0037062600000000, -0.0019288900000000, 0.0009921000000000 ] - [ -0.0000105100000000, 0.0001240900000000, 0.0002195600000000 ] - [ -0.0002193000000000, -0.0000476800000000, 0.0003065900000000 ] - [ -0.0001324300000000, -0.0000002000000000, 0.0001247100000000 ] - [ 0.0000606600000000, 0.0001877500000000, -0.0000420500000000 ] - [ 0.0003399100000000, -0.0008216000000000, 0.0008348200000000 ] - [ -0.0008445800000000, 0.0008817300000000, -0.0003278300000000 ] - [ -0.0003604700000000, -0.0001162000000000, 0.0001039500000000 ] - [ 0.0000080600000000, 0.0002140300000000, 0.0005315700000000 ] - [ -0.0000069900000000, -0.0001746100000000, 0.0000141000000000 ] - [ 0.0002450000000000, -0.0000463100000000, -0.0004303600000000 ] - [ 0.0002436800000000, -0.0001631900000000, 0.0000357000000000 ] - [ -0.0001385100000000, 0.0001431400000000, -0.0002968000000000 ] - [ -0.0027479000000000, -0.0005409100000000, -0.0002670100000000 ] - [ 0.0010690300000000, -0.0008132100000000, 0.0005628000000000 ] - [ 0.0010595400000000, 0.0010726400000000, -0.0008492500000000 ] - [ -0.0044717400000000, -0.0002525600000000, -0.0014036700000000 ] - [ 0.0013847000000000, 0.0000473000000000, 0.0001735100000000 ] - [ -0.0041034200000000, -0.0007558000000000, -0.0002683600000000 ] - [ 0.0001129100000000, -0.0001074900000000, -0.0003319900000000 ] - [ 0.0000873400000000, 0.0000543800000000, -0.0001766400000000 ] - [ 0.0002045600000000, 0.0000231200000000, -0.0001545700000000 ] - [ -0.0013641300000000, 0.0027563200000000, -0.0017300600000000 ] - [ 0.0007035300000000, -0.0000142500000000, 0.0006514500000000 ] - [ 0.0004021900000000, -0.0028098200000000, 0.0020515300000000 ] - [ -0.0000907600000000, -0.0000292200000000, 0.0002009300000000 ] - [ -0.0002253700000000, -0.0000701300000000, 0.0002235500000000 ] - [ -0.0001254200000000, 0.0000798100000000, 0.0001401700000000 ] - [ -0.0000754000000000, 0.0001221700000000, -0.0002845000000000 ] - [ 0.0005479400000000, 0.0001438700000000, 0.0013718200000000 ] - [ -0.0010643700000000, -0.0003259400000000, -0.0006581500000000 ] - [ -0.0010654600000000, 0.0002517100000000, -0.0004239600000000 ] - [ 0.0004385400000000, 0.0000301600000000, 0.0012421700000000 ] - [ 0.0001729600000000, -0.0002538500000000, -0.0002476300000000 ] - [ 0.0003138900000000, 0.0000776100000000, -0.0005032100000000 ] - [ 0.0007114600000000, 0.0002923100000000, 0.0008097600000000 ] - [ -0.0006669100000000, -0.0003620100000000, -0.0010117800000000 ] - [ -0.0002450000000000, 0.0002428500000000, -0.0011537300000000 ] - [ 0.0007993900000000, -0.0006023000000000, 0.0011443200000000 ] - [ 0.0000356600000000, 0.0004544500000000, -0.0007297600000000 ] - [ 0.0005186900000000, -0.0006712600000000, -0.0001863200000000 ] - [ 0.0013349900000000, 0.0000176400000000, 0.0026108600000000 ] - [ -0.0026873600000000, -0.0007837300000000, -0.0036368600000000 ] - [ -0.0004868400000000, -0.0005673100000000, -0.0004891100000000 ] - [ 0.0000921000000000, -0.0002743000000000, -0.0000474900000000 ] - [ -0.0003391300000000, -0.0003727700000000, -0.0008016900000000 ] - [ 0.0001104600000000, -0.0003409800000000, 0.0001239000000000 ] - [ 0.0004978400000000, -0.0005512000000000, 0.0007391200000000 ] - [ 0.0000821500000000, -0.0003192200000000, 0.0003688200000000 ] - [ -0.0021938900000000, -0.0029060900000000, -0.0023757600000000 ] - [ 0.0018260900000000, 0.0020868700000000, 0.0029902000000000 ] - [ 0.0009147200000000, -0.0002898900000000, 0.0008106700000000 ] - [ -0.0025583400000000, -0.0006836400000000, -0.0000758200000000 ] - [ 0.0009777600000000, 0.0010079200000000, 0.0000076500000000 ] - [ 0.0016338900000000, -0.0003929400000000, 0.0024424800000000 ] - [ 0.0001190600000000, 0.0004267500000000, 0.0001582300000000 ] - [ 0.0000179300000000, 0.0004416500000000, 0.0001583000000000 ] - [ 0.0005520700000000, 0.0003492600000000, 0.0009194000000000 ] - [ 0.0008356000000000, -0.0005611700000000, 0.0013989900000000 ] - [ 0.0004550700000000, 0.0005811400000000, -0.0001589000000000 ] - [ -0.0020050400000000, 0.0011326900000000, -0.0025582300000000 ] - [ -0.0000161000000000, 0.0004707400000000, -0.0000404900000000 ] - [ -0.0004175000000000, 0.0004109200000000, -0.0006726600000000 ] - [ -0.0002968200000000, 0.0003444200000000, -0.0006309400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0033956200000000, -0.0346814100000000, 0.0009581800000000 ] - [ -0.0000886200000000, -0.0021922800000000, -0.0001368800000000 ] - [ -0.0001146100000000, -0.0021855600000000, -0.0001541600000000 ] - [ -0.0001106600000000, -0.0004891800000000, 0.0001751800000000 ] - [ -0.0001505000000000, -0.0005716700000000, 0.0001431300000000 ] - [ -0.0001063800000000, -0.0005648000000000, 0.0001743800000000 ] - [ 0.0001571900000000, 0.0011711000000000, -0.0004396000000000 ] - [ 0.0001520500000000, 0.0009637400000000, -0.0003662100000000 ] - [ 0.0000329800000000, 0.0025460900000000, -0.0001679900000000 ] - [ 0.0000775700000000, 0.0001162500000000, -0.0001313900000000 ] - [ 0.0001184100000000, 0.0001030000000000, -0.0001066800000000 ] - [ 0.0001702100000000, 0.0000649800000000, -0.0001315800000000 ] - [ 0.0001076300000000, -0.0002714700000000, -0.0001452200000000 ] - [ -0.0000532500000000, -0.0007481300000000, -0.0000601200000000 ] - [ 0.0002914200000000, -0.0009721600000000, -0.0001847500000000 ] - [ -0.0001092600000000, -0.0014484300000000, 0.0000828900000000 ] - [ 0.0001525100000000, -0.0003390000000000, -0.0001199900000000 ] - [ 0.0003514600000000, -0.0013472500000000, 0.0000610600000000 ] - [ 0.0000302700000000, 0.0012465800000000, 0.0002703500000000 ] - [ -0.0001144100000000, 0.0007414600000000, 0.0001243500000000 ] - [ -0.0002670800000000, 0.0012197100000000, 0.0002634000000000 ] - [ 0.0000171200000000, 0.0012465600000000, 0.0001493500000000 ] - [ -0.0003254400000000, 0.0012263900000000, 0.0002140300000000 ] - [ -0.0000777700000000, 0.0007340700000000, 0.0001538500000000 ] - [ 0.0000359700000000, 0.0002848700000000, 0.0004233700000000 ] - [ 0.0007133200000000, 0.0010891100000000, 0.0011999100000000 ] - [ 0.0010499500000000, 0.0014392500000000, 0.0018374800000000 ] - [ -0.0005659500000000, -0.0005652400000000, -0.0011417000000000 ] - [ -0.0001150300000000, -0.0001362200000000, -0.0002544700000000 ] - [ 0.0001251100000000, 0.0000073000000000, -0.0001643300000000 ] - [ -0.0000755100000000, 0.0002428800000000, -0.0003782600000000 ] - [ -0.0002273100000000, 0.0002971200000000, -0.0003753500000000 ] - [ -0.0007225200000000, 0.0009860600000000, -0.0012902300000000 ] - [ 0.0003009000000000, -0.0004229000000000, 0.0015086100000000 ] - [ 0.0006603900000000, -0.0006749700000000, 0.0012028900000000 ] - [ -0.0001470400000000, -0.0000212500000000, 0.0002270100000000 ] - [ 0.0023037300000000, 0.0039107600000000, -0.0006945800000000 ] - [ 0.0000722000000000, -0.0000480000000000, -0.0001690500000000 ] - [ -0.0012733700000000, -0.0003487100000000, -0.0011736800000000 ] - [ -0.0000431300000000, -0.0000115800000000, 0.0000261400000000 ] - [ -0.0000406100000000, 0.0000132300000000, 0.0000240000000000 ] - [ -0.0000274100000000, -0.0000077100000000, -0.0000032200000000 ] - [ -0.0019216900000000, 0.0020042900000000, -0.0021142500000000 ] - [ 0.0001780200000000, -0.0000526000000000, -0.0000371300000000 ] - [ 0.0018527700000000, 0.0036382300000000, -0.0014837600000000 ] - [ 0.0001007600000000, -0.0001507100000000, 0.0001349500000000 ] - [ 0.0000865300000000, -0.0001578300000000, 0.0001472600000000 ] - [ 0.0001011700000000, -0.0001590200000000, 0.0001801600000000 ] - [ -0.0014506400000000, 0.0073495400000000, 0.0056095900000000 ] - [ -0.0006920700000000, 0.0003289400000000, -0.0001186200000000 ] - [ 0.0024930200000000, 0.0049086500000000, 0.0059531800000000 ] - [ -0.0006586500000000, 0.0000490700000000, -0.0005984500000000 ] - [ -0.0009256100000000, 0.0003296500000000, -0.0008899100000000 ] - [ -0.0006424000000000, 0.0000849300000000, -0.0003808400000000 ] - [ 0.0039058400000000, 0.0064076200000000, 0.0035844100000000 ] - [ 0.0005365900000000, -0.0001500800000000, 0.0002606100000000 ] - [ -0.0009810600000000, 0.0081075400000000, 0.0016512300000000 ] - [ 0.0004961900000000, -0.0002722200000000, 0.0001012300000000 ] - [ 0.0002480400000000, -0.0004946500000000, -0.0003443500000000 ] - [ 0.0004812300000000, -0.0002151000000000, -0.0000860700000000 ] - [ 0.0007790400000000, 0.0005019700000000, -0.0003881500000000 ] - [ -0.0003428800000000, 0.0009675500000000, -0.0013964500000000 ] - [ -0.0033138200000000, 0.0043573400000000, -0.0070617200000000 ] - [ 0.0010314700000000, 0.0009030500000000, 0.0014218800000000 ] - [ 0.0008610400000000, 0.0005791600000000, 0.0009632500000000 ] - [ 0.0007247500000000, 0.0004040000000000, 0.0007852500000000 ] - [ -0.0004255500000000, -0.0000907200000000, 0.0002893700000000 ] - [ -0.0002891600000000, -0.0002951100000000, 0.0004247700000000 ] - [ -0.0001893500000000, -0.0004850900000000, 0.0008185200000000 ] - [ -0.0016519600000000, 0.0058493700000000, -0.0057059200000000 ] - [ -0.0016292800000000, -0.0003704300000000, -0.0018780800000000 ] - [ -0.0003532100000000, 0.0002264200000000, -0.0007189300000000 ] - [ 0.0000581200000000, -0.0036028600000000, -0.0008704200000000 ] - [ 0.0001154300000000, -0.0003688100000000, -0.0002386700000000 ] - [ -0.0003131100000000, -0.0034401200000000, -0.0014134700000000 ] - [ 0.0000641900000000, -0.0001582900000000, -0.0000759200000000 ] - [ 0.0002202100000000, -0.0003418500000000, -0.0000347900000000 ] - [ 0.0001341000000000, -0.0001500900000000, -0.0001752100000000 ] - [ 0.0010460000000000, 0.0018644500000000, 0.0010825700000000 ] - [ -0.0001501800000000, 0.0002421000000000, 0.0002238400000000 ] - [ -0.0008737800000000, 0.0003189800000000, 0.0006280500000000 ] - [ -0.0001175300000000, 0.0001883800000000, 0.0002669200000000 ] - [ -0.0000246800000000, 0.0003375500000000, 0.0003933400000000 ] - [ -0.0001770100000000, 0.0001921100000000, 0.0003579900000000 ] - [ -0.0003163400000000, -0.0004646900000000, 0.0004665800000000 ] - [ 0.0001104100000000, -0.0008148400000000, 0.0005995600000000 ] - [ 0.0007975600000000, -0.0035638800000000, 0.0016208000000000 ] - [ -0.0001829900000000, -0.0006305300000000, -0.0000853600000000 ] - [ -0.0002026400000000, -0.0003789900000000, 0.0000092400000000 ] - [ -0.0001092500000000, -0.0002957300000000, 0.0000631300000000 ] - [ 0.0001490600000000, 0.0001710100000000, -0.0003910200000000 ] - [ 0.0000409000000000, 0.0002781500000000, -0.0004191400000000 ] - [ 0.0000627100000000, 0.0004249600000000, -0.0005351600000000 ] - [ 0.0000489100000000, 0.0015133600000000, -0.0008294700000000 ] - [ 0.0006009800000000, 0.0005565500000000, 0.0002425300000000 ] - [ -0.0002564400000000, 0.0002138600000000, 0.0000840700000000 ] - [ -0.0016337500000000, 0.0015426100000000, -0.0010711200000000 ] - [ 0.0000419900000000, -0.0000139200000000, -0.0002522300000000 ] - [ 0.0016737700000000, 0.0017972600000000, -0.0006223100000000 ] - [ 0.0001651600000000, 0.0000887900000000, -0.0001286900000000 ] - [ 0.0002877100000000, 0.0001250100000000, 0.0000371300000000 ] - [ 0.0001421300000000, 0.0000512100000000, -0.0002088300000000 ] - [ -0.0012664700000000, -0.0023305200000000, -0.0000224600000000 ] - [ -0.0003042000000000, -0.0001045000000000, 0.0002189300000000 ] - [ 0.0009430300000000, -0.0019457700000000, 0.0014999000000000 ] - [ -0.0001231500000000, -0.0000624800000000, 0.0001729700000000 ] - [ -0.0000532600000000, -0.0001346700000000, 0.0003705000000000 ] - [ -0.0001280700000000, -0.0001239700000000, 0.0002479000000000 ] - [ -0.0003587100000000, 0.0000278400000000, 0.0005579200000000 ] - [ 0.0002282600000000, 0.0001382900000000, 0.0009171700000000 ] - [ 0.0014862500000000, 0.0004854100000000, 0.0034057300000000 ] - [ -0.0004873000000000, 0.0000163700000000, -0.0012084000000000 ] - [ -0.0006600600000000, 0.0001906000000000, -0.0007751700000000 ] - [ -0.0001006200000000, -0.0000300100000000, -0.0003442700000000 ] - [ 0.0001526200000000, -0.0000105300000000, -0.0006790700000000 ] - [ -0.0003047900000000, -0.0003054700000000, -0.0011026900000000 ] - [ -0.0004305700000000, -0.0004443800000000, -0.0015743000000000 ] - [ 0.0015155200000000, -0.0019875500000000, 0.0025760800000000 ] - [ 0.0005902500000000, -0.0002242000000000, 0.0006619700000000 ] - [ -0.0000072700000000, -0.0001198300000000, 0.0000961000000000 ] - [ 0.0000341900000000, -0.0005155700000000, -0.0006729200000000 ] - [ -0.0017226800000000, -0.0004906100000000, -0.0036356200000000 ] - [ -0.0005020600000000, -0.0013456200000000, -0.0031749300000000 ] - [ 0.0002876900000000, -0.0001812400000000, 0.0005714100000000 ] - [ -0.0000793900000000, -0.0003140300000000, -0.0001379200000000 ] - [ -0.0002503900000000, -0.0004177400000000, -0.0000498700000000 ] - [ 0.0002378500000000, -0.0004365600000000, 0.0007565600000000 ] - [ 0.0003564400000000, -0.0004974500000000, 0.0006660100000000 ] - [ 0.0007793600000000, -0.0007715600000000, 0.0013826000000000 ] - [ -0.0005050600000000, -0.0017001100000000, -0.0014623300000000 ] - [ -0.0011209200000000, -0.0019687300000000, -0.0024468900000000 ] - [ 0.0004317000000000, -0.0003938800000000, 0.0002266100000000 ] - [ 0.0017074800000000, 0.0025540400000000, 0.0006317900000000 ] - [ 0.0000738600000000, 0.0002903500000000, 0.0008806700000000 ] - [ 0.0014951200000000, 0.0003198800000000, 0.0018855700000000 ] - [ 0.0001378100000000, 0.0004194700000000, 0.0001787000000000 ] - [ -0.0000056500000000, 0.0004394000000000, -0.0001054500000000 ] - [ 0.0000841200000000, 0.0004226100000000, 0.0000599800000000 ] - [ 0.0011740400000000, -0.0003239900000000, 0.0014598800000000 ] - [ -0.0003062900000000, 0.0003657800000000, -0.0001309100000000 ] - [ -0.0004536400000000, -0.0010022200000000, 0.0010773200000000 ] - [ -0.0003917000000000, 0.0003841400000000, -0.0007375600000000 ] - [ -0.0004264800000000, 0.0003646000000000, -0.0008724300000000 ] - [ -0.0003065000000000, 0.0003763300000000, -0.0006461400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0030666400000000, 0.0341334400000000, -0.0005875900000000 ] - [ -0.0001966500000000, 0.0017270400000000, 0.0003911900000000 ] - [ -0.0000523200000000, 0.0017340000000000, 0.0004582900000000 ] - [ -0.0001703400000000, 0.0000655500000000, 0.0001321600000000 ] - [ -0.0001201000000000, 0.0001063600000000, 0.0001113300000000 ] - [ -0.0000750000000000, 0.0001135300000000, 0.0001307800000000 ] - [ 0.0000270100000000, -0.0016197700000000, 0.0001348700000000 ] - [ 0.0001168600000000, -0.0014271000000000, 0.0001095600000000 ] - [ 0.0002465800000000, -0.0029681400000000, -0.0001427100000000 ] - [ 0.0001037900000000, -0.0005660400000000, -0.0001733700000000 ] - [ 0.0001523100000000, -0.0005667700000000, -0.0001478700000000 ] - [ 0.0001106500000000, -0.0004871200000000, -0.0001754300000000 ] - [ 0.0000737900000000, 0.0007241800000000, -0.0001586900000000 ] - [ 0.0003248100000000, 0.0012145700000000, -0.0001921900000000 ] - [ -0.0000113200000000, 0.0013974500000000, -0.0001192400000000 ] - [ 0.0002855200000000, 0.0019010800000000, -0.0003979400000000 ] - [ 0.0001174400000000, 0.0008062600000000, -0.0001364500000000 ] - [ -0.0000656100000000, 0.0017719900000000, -0.0003774200000000 ] - [ -0.0003109400000000, -0.0008221800000000, 0.0000355700000000 ] - [ -0.0001560900000000, -0.0002752500000000, 0.0001315200000000 ] - [ 0.0000851100000000, -0.0007673000000000, 0.0000401300000000 ] - [ -0.0002983500000000, -0.0008223500000000, 0.0001607000000000 ] - [ 0.0000553000000000, -0.0007606700000000, 0.0000414900000000 ] - [ -0.0001040500000000, -0.0002823000000000, 0.0001504200000000 ] - [ 0.0001099500000000, -0.0000948700000000, -0.0002491500000000 ] - [ -0.0005676700000000, -0.0009006800000000, -0.0010255900000000 ] - [ -0.0009013600000000, -0.0012527500000000, -0.0016636400000000 ] - [ 0.0007113400000000, 0.0007563000000000, 0.0013157800000000 ] - [ 0.0002602000000000, 0.0003250100000000, 0.0004279900000000 ] - [ 0.0000244600000000, 0.0001822600000000, 0.0003395300000000 ] - [ -0.0000734700000000, -0.0000542200000000, 0.0002037400000000 ] - [ 0.0000821700000000, -0.0001086600000000, 0.0002019300000000 ] - [ 0.0005767900000000, -0.0007960100000000, 0.0011162400000000 ] - [ -0.0004500700000000, 0.0006097400000000, -0.0016771600000000 ] - [ -0.0008055500000000, 0.0008621500000000, -0.0013775000000000 ] - [ 0.0000019200000000, 0.0002100000000000, -0.0004002500000000 ] - [ -0.0024261400000000, -0.0040565800000000, 0.0004905500000000 ] - [ -0.0002170300000000, -0.0001388600000000, -0.0000044900000000 ] - [ 0.0011215700000000, 0.0001596800000000, 0.0009966200000000 ] - [ -0.0001061800000000, -0.0001755900000000, -0.0002010300000000 ] - [ -0.0001047800000000, -0.0001999700000000, -0.0001977800000000 ] - [ -0.0001181900000000, -0.0001799700000000, -0.0001707600000000 ] - [ 0.0020760300000000, -0.0021940200000000, 0.0022834500000000 ] - [ -0.0000329900000000, -0.0001334100000000, 0.0002102100000000 ] - [ -0.0017510100000000, -0.0038587400000000, 0.0016594200000000 ] - [ 0.0000444600000000, -0.0000364100000000, 0.0000382400000000 ] - [ 0.0000583500000000, -0.0000284300000000, 0.0000258300000000 ] - [ 0.0000478300000000, -0.0000276100000000, -0.0000058900000000 ] - [ 0.0003907400000000, -0.0075606100000000, -0.0060613400000000 ] - [ -0.0004201800000000, -0.0005305700000000, -0.0003142600000000 ] - [ -0.0036350200000000, -0.0051157600000000, -0.0063832700000000 ] - [ -0.0004509200000000, -0.0002507500000000, 0.0001646100000000 ] - [ -0.0001872200000000, -0.0005338700000000, 0.0004550900000000 ] - [ -0.0004758500000000, -0.0002893300000000, -0.0000601200000000 ] - [ -0.0027362300000000, -0.0066435600000000, -0.0030878100000000 ] - [ 0.0005757600000000, -0.0000581700000000, 0.0001748500000000 ] - [ 0.0020435700000000, -0.0083272600000000, -0.0011819900000000 ] - [ 0.0006218700000000, 0.0000683100000000, 0.0003391200000000 ] - [ 0.0008639400000000, 0.0002895100000000, 0.0007780700000000 ] - [ 0.0006281000000000, 0.0000130000000000, 0.0005193200000000 ] - [ 0.0003397800000000, -0.0002993600000000, 0.0008287200000000 ] - [ 0.0014550300000000, -0.0007609100000000, 0.0018300100000000 ] - [ 0.0044384400000000, -0.0041414000000000, 0.0074824100000000 ] - [ 0.0000863500000000, -0.0006976800000000, -0.0009820200000000 ] - [ 0.0002507200000000, -0.0003737100000000, -0.0005305400000000 ] - [ 0.0003844400000000, -0.0002012800000000, -0.0003522400000000 ] - [ -0.0006842700000000, 0.0002958400000000, -0.0007239400000000 ] - [ -0.0008232200000000, 0.0005023700000000, -0.0008593300000000 ] - [ -0.0009296000000000, 0.0006927000000000, -0.0012608800000000 ] - [ 0.0005619500000000, -0.0056073500000000, 0.0053522800000000 ] - [ 0.0005203200000000, 0.0005843500000000, 0.0014488500000000 ] - [ -0.0007664000000000, -0.0000155100000000, 0.0002780400000000 ] - [ 0.0001699900000000, 0.0036458700000000, 0.0004209300000000 ] - [ 0.0001164100000000, 0.0004128600000000, -0.0002185200000000 ] - [ 0.0005652100000000, 0.0034803100000000, 0.0009567100000000 ] - [ 0.0001738600000000, 0.0002191000000000, -0.0003727500000000 ] - [ 0.0000122900000000, 0.0003872800000000, -0.0004215900000000 ] - [ 0.0001114100000000, 0.0002025700000000, -0.0002760900000000 ] - [ -0.0011542500000000, -0.0017036000000000, -0.0005584300000000 ] - [ -0.0000817000000000, -0.0001953600000000, 0.0002328700000000 ] - [ 0.0005237100000000, -0.0001634400000000, -0.0001106000000000 ] - [ -0.0001280400000000, -0.0001380200000000, 0.0001850800000000 ] - [ -0.0002070700000000, -0.0002926000000000, 0.0000638600000000 ] - [ -0.0000604100000000, -0.0001312500000000, 0.0000912000000000 ] - [ 0.0000694600000000, 0.0004179100000000, -0.0000144100000000 ] - [ -0.0003427600000000, 0.0007731900000000, -0.0001425600000000 ] - [ -0.0010415800000000, 0.0035124600000000, -0.0011706800000000 ] - [ -0.0000627100000000, 0.0005833800000000, 0.0005375000000000 ] - [ -0.0000293700000000, 0.0003371100000000, 0.0004484200000000 ] - [ -0.0001285000000000, 0.0002383700000000, 0.0003861800000000 ] - [ 0.0000883700000000, -0.0002317300000000, -0.0000576600000000 ] - [ 0.0001910300000000, -0.0003226600000000, -0.0000375200000000 ] - [ 0.0001829000000000, -0.0004762500000000, 0.0000835800000000 ] - [ 0.0001765700000000, -0.0016578100000000, 0.0004971500000000 ] - [ -0.0003678900000000, -0.0006062400000000, -0.0006994000000000 ] - [ 0.0005002200000000, -0.0002667400000000, -0.0005350300000000 ] - [ 0.0020824900000000, -0.0017175000000000, 0.0005823900000000 ] - [ 0.0002637800000000, 0.0000022300000000, -0.0001544300000000 ] - [ -0.0016166000000000, -0.0019619600000000, 0.0001221800000000 ] - [ 0.0001129900000000, -0.0001203800000000, -0.0002893900000000 ] - [ 0.0000191700000000, -0.0001355500000000, -0.0004415300000000 ] - [ 0.0001156200000000, -0.0000608000000000, -0.0002023700000000 ] - [ 0.0009869900000000, 0.0023326600000000, 0.0004161900000000 ] - [ -0.0000034900000000, 0.0000967500000000, 0.0001848700000000 ] - [ -0.0012158500000000, 0.0019298600000000, -0.0010982100000000 ] - [ -0.0001344600000000, 0.0000541400000000, 0.0002399500000000 ] - [ -0.0002536700000000, 0.0001262600000000, 0.0000351700000000 ] - [ -0.0001501700000000, 0.0000936800000000, 0.0001723200000000 ] - [ 0.0001012000000000, -0.0000159400000000, -0.0001461500000000 ] - [ -0.0005349100000000, -0.0001265400000000, -0.0005118200000000 ] - [ -0.0017604100000000, -0.0004496800000000, -0.0029800600000000 ] - [ 0.0002291600000000, -0.0000036700000000, 0.0016197800000000 ] - [ 0.0003542400000000, -0.0001780800000000, 0.0011809000000000 ] - [ -0.0001780600000000, 0.0000632000000000, 0.0007637000000000 ] - [ 0.0001251100000000, 0.0000434200000000, 0.0002600900000000 ] - [ 0.0006116600000000, 0.0003172200000000, 0.0006972400000000 ] - [ 0.0006893000000000, 0.0004558300000000, 0.0011626900000000 ] - [ -0.0012378700000000, 0.0020021800000000, -0.0029992300000000 ] - [ -0.0002837600000000, 0.0002350600000000, -0.0010677300000000 ] - [ 0.0002664400000000, 0.0001288600000000, -0.0005079500000000 ] - [ -0.0005415100000000, -0.0002969100000000, -0.0001995400000000 ] - [ 0.0012568100000000, -0.0003317900000000, 0.0027857700000000 ] - [ 0.0000495800000000, 0.0005396400000000, 0.0023160300000000 ] - [ -0.0007946400000000, -0.0006317900000000, -0.0014429600000000 ] - [ -0.0003878800000000, -0.0005074700000000, -0.0007152700000000 ] - [ -0.0002013300000000, -0.0003862400000000, -0.0008108700000000 ] - [ 0.0002130900000000, -0.0003658900000000, 0.0001053600000000 ] - [ 0.0001106000000000, -0.0003231800000000, 0.0001878200000000 ] - [ -0.0002716600000000, -0.0000395500000000, -0.0005096800000000 ] - [ 0.0009677000000000, 0.0009107700000000, 0.0023272200000000 ] - [ 0.0015857700000000, 0.0011656700000000, 0.0033009600000000 ] - [ 0.0000752300000000, -0.0004160300000000, 0.0006455100000000 ] - [ -0.0012225200000000, -0.0015838900000000, 0.0000145500000000 ] - [ 0.0003933000000000, 0.0005338100000000, -0.0000281900000000 ] - [ -0.0009870500000000, 0.0004954200000000, -0.0010124500000000 ] - [ 0.0003131800000000, 0.0003860300000000, 0.0006831100000000 ] - [ 0.0004732800000000, 0.0003836000000000, 0.0009594700000000 ] - [ 0.0004233900000000, 0.0003909200000000, 0.0008129800000000 ] - [ -0.0016842000000000, 0.0011342800000000, -0.0023338900000000 ] - [ -0.0001606300000000, 0.0004562100000000, -0.0007235400000000 ] - [ 0.0000052500000000, 0.0017954600000000, -0.0019690700000000 ] - [ -0.0001151500000000, 0.0004292100000000, -0.0001344200000000 ] - [ -0.0000399900000000, 0.0004588600000000, 0.0000199400000000 ] - [ -0.0001444600000000, 0.0004290800000000, -0.0002147700000000 ]- atom: 1 displacement: [ -0.0037952304666203, 0.0000000000000000, 0.0092518228314877 ] forces: - [ 0.0117797100000000, 0.0016946200000000, -0.0204027100000000 ] - [ -0.0021575600000000, -0.0005048600000000, -0.0014180600000000 ] - [ -0.0019350600000000, -0.0004910500000000, -0.0013328000000000 ] - [ -0.0003226600000000, -0.0002036500000000, 0.0006669500000000 ] - [ -0.0000626500000000, -0.0002071200000000, 0.0006497100000000 ] - [ -0.0000019800000000, -0.0002054200000000, 0.0006798500000000 ] - [ -0.0003258500000000, 0.0000643800000000, -0.0007907700000000 ] - [ -0.0002504600000000, -0.0000055200000000, -0.0007648800000000 ] - [ 0.0009949900000000, -0.0002408900000000, -0.0016946800000000 ] - [ 0.0001499700000000, -0.0002500800000000, 0.0003718200000000 ] - [ 0.0002266500000000, -0.0002583600000000, 0.0003333100000000 ] - [ -0.0000305300000000, -0.0002209800000000, 0.0003230200000000 ] - [ -0.0002030200000000, 0.0002261300000000, 0.0001171000000000 ] - [ 0.0009597400000000, 0.0003658300000000, 0.0004433500000000 ] - [ -0.0004520100000000, 0.0001257100000000, 0.0017199600000000 ] - [ 0.0021856800000000, 0.0005236000000000, 0.0014533900000000 ] - [ -0.0001612900000000, 0.0002344900000000, -0.0000485700000000 ] - [ -0.0017375100000000, 0.0003363900000000, 0.0027292000000000 ] - [ -0.0004777500000000, 0.0002759400000000, 0.0006776200000000 ] - [ -0.0003603900000000, 0.0002355900000000, 0.0002363500000000 ] - [ 0.0004423700000000, 0.0000734900000000, 0.0001947700000000 ] - [ -0.0005018400000000, 0.0001677600000000, 0.0006674000000000 ] - [ 0.0004497400000000, 0.0000620000000000, 0.0001886600000000 ] - [ -0.0003141100000000, 0.0002365000000000, 0.0002615000000000 ] - [ -0.0001353300000000, 0.0001255200000000, 0.0002067100000000 ] - [ 0.0001771400000000, 0.0001242300000000, 0.0002702500000000 ] - [ 0.0017683500000000, 0.0015787000000000, 0.0023713300000000 ] - [ 0.0008952900000000, 0.0007815600000000, 0.0015785900000000 ] - [ 0.0000669200000000, 0.0000807200000000, 0.0001287700000000 ] - [ -0.0000412700000000, 0.0001450800000000, 0.0004100600000000 ] - [ 0.0000195400000000, -0.0002493900000000, 0.0004795600000000 ] - [ -0.0000093900000000, -0.0000293700000000, 0.0001189000000000 ] - [ 0.0008582800000000, -0.0010625700000000, 0.0015233400000000 ] - [ 0.0002723600000000, 0.0002077600000000, 0.0009137700000000 ] - [ -0.0000340800000000, 0.0002260600000000, -0.0001431500000000 ] - [ -0.0004089800000000, 0.0003103600000000, -0.0001936200000000 ] - [ -0.0021518600000000, -0.0037751900000000, -0.0039213700000000 ] - [ -0.0006724900000000, -0.0007859100000000, -0.0011907400000000 ] - [ -0.0007850600000000, -0.0012089300000000, -0.0022352700000000 ] - [ 0.0001223200000000, 0.0002553700000000, 0.0005185800000000 ] - [ 0.0004224100000000, 0.0005568800000000, 0.0008553600000000 ] - [ 0.0001646300000000, 0.0002582900000000, 0.0005090900000000 ] - [ -0.0013565700000000, 0.0020475100000000, -0.0035560000000000 ] - [ -0.0005006600000000, 0.0005082400000000, -0.0009392000000000 ] - [ -0.0012159300000000, -0.0003182100000000, -0.0026849800000000 ] - [ 0.0003218700000000, -0.0004711800000000, 0.0007234300000000 ] - [ 0.0005617100000000, -0.0007175100000000, 0.0010096600000000 ] - [ 0.0002673400000000, -0.0004274100000000, 0.0006825500000000 ] - [ -0.0029378600000000, 0.0073957600000000, 0.0001583100000000 ] - [ -0.0014216700000000, 0.0000111100000000, -0.0014994900000000 ] - [ -0.0004885100000000, 0.0005726500000000, -0.0015306500000000 ] - [ -0.0000475200000000, -0.0000452100000000, 0.0011528300000000 ] - [ 0.0003610700000000, -0.0003252900000000, 0.0015827600000000 ] - [ -0.0002847500000000, 0.0000618300000000, 0.0005804800000000 ] - [ -0.0000658700000000, 0.0025737200000000, -0.0019984000000000 ] - [ -0.0002149000000000, 0.0002586100000000, -0.0010920600000000 ] - [ 0.0000395200000000, 0.0091816900000000, -0.0017957600000000 ] - [ 0.0008677200000000, -0.0002908400000000, 0.0011026700000000 ] - [ 0.0013405000000000, -0.0000461100000000, 0.0018438100000000 ] - [ 0.0009653700000000, -0.0003716500000000, 0.0014128300000000 ] - [ -0.0001379000000000, -0.0003893300000000, -0.0002231400000000 ] - [ 0.0003511500000000, 0.0001751000000000, -0.0003709100000000 ] - [ 0.0033604800000000, -0.0039875700000000, 0.0055924100000000 ] - [ 0.0016617600000000, 0.0008516200000000, 0.0024617100000000 ] - [ 0.0008541900000000, 0.0000939800000000, 0.0008861400000000 ] - [ 0.0008191500000000, 0.0003022900000000, 0.0011732600000000 ] - [ -0.0002891100000000, 0.0003305700000000, 0.0007351400000000 ] - [ -0.0002440800000000, 0.0002348600000000, 0.0004713800000000 ] - [ 0.0003159600000000, 0.0001254900000000, 0.0016188800000000 ] - [ -0.0011254300000000, -0.0100684200000000, 0.0005302500000000 ] - [ -0.0010388100000000, -0.0009216000000000, -0.0015819800000000 ] - [ -0.0013060500000000, -0.0014971900000000, -0.0010357500000000 ] - [ 0.0002155200000000, -0.0034059300000000, 0.0001045100000000 ] - [ 0.0004421200000000, -0.0000652400000000, 0.0001413500000000 ] - [ 0.0001560900000000, 0.0002123600000000, 0.0005451600000000 ] - [ 0.0001540000000000, 0.0000562800000000, -0.0007550500000000 ] - [ -0.0001934700000000, 0.0002301500000000, -0.0007886800000000 ] - [ 0.0001500300000000, -0.0000602300000000, -0.0005440300000000 ] - [ -0.0007308200000000, -0.0004805000000000, 0.0033018800000000 ] - [ 0.0003582800000000, -0.0001512000000000, 0.0006324200000000 ] - [ -0.0023350400000000, -0.0017377900000000, 0.0031760000000000 ] - [ -0.0000865500000000, 0.0001257700000000, -0.0001445800000000 ] - [ -0.0003785400000000, -0.0000228600000000, -0.0003274700000000 ] - [ -0.0000640400000000, 0.0001749800000000, -0.0003247200000000 ] - [ 0.0001809900000000, 0.0001752100000000, 0.0003447600000000 ] - [ -0.0000831600000000, -0.0000735900000000, 0.0005043400000000 ] - [ -0.0012751400000000, 0.0033711900000000, -0.0006756000000000 ] - [ -0.0003815700000000, -0.0005586400000000, -0.0004641500000000 ] - [ -0.0002157300000000, -0.0000124900000000, 0.0000109400000000 ] - [ -0.0000008600000000, -0.0001505900000000, -0.0001367300000000 ] - [ 0.0003106700000000, -0.0001929800000000, -0.0007021100000000 ] - [ 0.0000197500000000, -0.0001318000000000, -0.0004953600000000 ] - [ -0.0001400000000000, -0.0001525600000000, -0.0010030600000000 ] - [ -0.0006250500000000, 0.0014983400000000, 0.0049155600000000 ] - [ -0.0000729900000000, 0.0005860700000000, 0.0003733800000000 ] - [ 0.0011447200000000, 0.0010630500000000, -0.0002537800000000 ] - [ -0.0013135200000000, -0.0001152400000000, 0.0030591000000000 ] - [ 0.0008780400000000, 0.0000007500000000, 0.0008554600000000 ] - [ -0.0007898600000000, -0.0006279500000000, 0.0025866900000000 ] - [ -0.0001404100000000, -0.0001573500000000, -0.0011655300000000 ] - [ -0.0004608200000000, -0.0000814500000000, -0.0015292900000000 ] - [ -0.0000176200000000, -0.0000657500000000, -0.0009241300000000 ] - [ 0.0010826000000000, -0.0000767700000000, 0.0037012900000000 ] - [ 0.0004649000000000, -0.0000887800000000, 0.0013821000000000 ] - [ 0.0007178000000000, -0.0030123600000000, 0.0042553900000000 ] - [ -0.0003014900000000, 0.0000767900000000, -0.0005597400000000 ] - [ -0.0007379700000000, 0.0000672100000000, -0.0010828600000000 ] - [ -0.0004197500000000, 0.0001683200000000, -0.0006941800000000 ] - [ 0.0004986300000000, 0.0005258500000000, 0.0000116700000000 ] - [ -0.0000697100000000, 0.0002207300000000, 0.0004575900000000 ] - [ -0.0014205000000000, 0.0006844200000000, -0.0023870200000000 ] - [ -0.0008796900000000, -0.0009171100000000, -0.0016778000000000 ] - [ -0.0004023700000000, -0.0002563500000000, -0.0000484400000000 ] - [ 0.0001228200000000, -0.0003862700000000, -0.0003690400000000 ] - [ 0.0002705600000000, 0.0001297700000000, -0.0007448600000000 ] - [ -0.0000515500000000, 0.0001162300000000, -0.0005455400000000 ] - [ -0.0009299000000000, -0.0004275100000000, -0.0020841400000000 ] - [ -0.0009641200000000, 0.0032202400000000, -0.0029197500000000 ] - [ 0.0003959200000000, -0.0000766900000000, 0.0003887400000000 ] - [ 0.0004787800000000, 0.0001988600000000, -0.0002990800000000 ] - [ 0.0005004600000000, -0.0007388100000000, 0.0000600300000000 ] - [ -0.0000798300000000, -0.0007965600000000, 0.0005547900000000 ] - [ 0.0002044700000000, -0.0033944800000000, -0.0020790400000000 ] - [ -0.0011885000000000, -0.0003885300000000, -0.0021362700000000 ] - [ -0.0003630700000000, -0.0002681100000000, -0.0008244800000000 ] - [ -0.0002870400000000, -0.0001313800000000, -0.0014081500000000 ] - [ 0.0000389400000000, -0.0004085000000000, -0.0004442600000000 ] - [ 0.0000519100000000, -0.0004824700000000, -0.0000898100000000 ] - [ -0.0006805500000000, -0.0000759200000000, -0.0012073100000000 ] - [ -0.0005002000000000, -0.0021751400000000, -0.0007795900000000 ] - [ 0.0006812400000000, -0.0005435000000000, 0.0010649900000000 ] - [ 0.0008764900000000, -0.0003127700000000, 0.0010586900000000 ] - [ -0.0010368800000000, -0.0007186400000000, 0.0032888100000000 ] - [ 0.0010132600000000, 0.0008763400000000, 0.0011131900000000 ] - [ 0.0003879700000000, 0.0009424900000000, 0.0019018400000000 ] - [ 0.0000580300000000, 0.0003395200000000, -0.0003289500000000 ] - [ -0.0005433300000000, 0.0003423800000000, -0.0011208300000000 ] - [ 0.0000269100000000, 0.0003510600000000, -0.0002268600000000 ] - [ 0.0007680300000000, -0.0004432400000000, 0.0022708300000000 ] - [ 0.0004506200000000, 0.0006201800000000, 0.0008113900000000 ] - [ 0.0011861400000000, 0.0024147100000000, 0.0028354400000000 ] - [ -0.0005052800000000, 0.0004393600000000, -0.0011563700000000 ] - [ -0.0009919400000000, 0.0003545500000000, -0.0019128300000000 ] - [ -0.0004629800000000, 0.0003596800000000, -0.0012187400000000 ]- atom: 1 displacement: [ 0.0037952304666203, 0.0000000000000000, -0.0092518228314877 ] forces: - [ -0.0120106100000000, -0.0021897200000000, 0.0204881000000000 ] - [ 0.0018841200000000, 0.0000381900000000, 0.0016809100000000 ] - [ 0.0017571000000000, 0.0000391000000000, 0.0016226900000000 ] - [ 0.0000415200000000, -0.0002205100000000, -0.0003633900000000 ] - [ -0.0002084100000000, -0.0002591100000000, -0.0003977500000000 ] - [ -0.0001801400000000, -0.0002461500000000, -0.0003806100000000 ] - [ 0.0005064600000000, -0.0005158400000000, 0.0004916600000000 ] - [ 0.0005230600000000, -0.0004587700000000, 0.0005109000000000 ] - [ -0.0007146200000000, -0.0001825000000000, 0.0013901500000000 ] - [ 0.0000318600000000, -0.0002004000000000, -0.0006718600000000 ] - [ 0.0000442900000000, -0.0002066700000000, -0.0005854300000000 ] - [ 0.0003118200000000, -0.0002022200000000, -0.0006269800000000 ] - [ 0.0003870500000000, 0.0002259500000000, -0.0004177600000000 ] - [ -0.0006931800000000, 0.0000999000000000, -0.0006943600000000 ] - [ 0.0007365900000000, 0.0003010300000000, -0.0020377800000000 ] - [ -0.0019874400000000, -0.0000712000000000, -0.0017508200000000 ] - [ 0.0004298300000000, 0.0002324100000000, -0.0002052200000000 ] - [ 0.0019974900000000, 0.0000890800000000, -0.0030013100000000 ] - [ 0.0001963600000000, 0.0001462200000000, -0.0003737900000000 ] - [ 0.0000906200000000, 0.0002294800000000, 0.0000156700000000 ] - [ -0.0006256900000000, 0.0003780800000000, 0.0001091600000000 ] - [ 0.0002205800000000, 0.0002553900000000, -0.0003657300000000 ] - [ -0.0007197400000000, 0.0004020800000000, 0.0000604500000000 ] - [ 0.0001312300000000, 0.0002142000000000, 0.0000384400000000 ] - [ 0.0002823300000000, 0.0000639500000000, -0.0000313300000000 ] - [ -0.0000286600000000, 0.0000682700000000, -0.0000911000000000 ] - [ -0.0016319700000000, -0.0013976200000000, -0.0022106100000000 ] - [ -0.0007511700000000, -0.0005950700000000, -0.0014069800000000 ] - [ 0.0000767800000000, 0.0001053600000000, 0.0000419900000000 ] - [ 0.0001896600000000, 0.0000418000000000, -0.0002363000000000 ] - [ -0.0001693500000000, 0.0004384900000000, -0.0006555600000000 ] - [ -0.0001345300000000, 0.0002155800000000, -0.0002904700000000 ] - [ -0.0010056000000000, 0.0012527600000000, -0.0016992800000000 ] - [ -0.0004249400000000, -0.0000100800000000, -0.0010925200000000 ] - [ -0.0001147900000000, -0.0000344100000000, -0.0000386000000000 ] - [ 0.0002622500000000, -0.0001200600000000, 0.0000169100000000 ] - [ 0.0020034700000000, 0.0035921100000000, 0.0037729100000000 ] - [ 0.0005286500000000, 0.0006008400000000, 0.0010211100000000 ] - [ 0.0006422200000000, 0.0010193300000000, 0.0020621500000000 ] - [ -0.0002715200000000, -0.0004430900000000, -0.0006933800000000 ] - [ -0.0005670600000000, -0.0007434000000000, -0.0010283500000000 ] - [ -0.0003109600000000, -0.0004476300000000, -0.0006845200000000 ] - [ 0.0014991800000000, -0.0022316100000000, 0.0037270500000000 ] - [ 0.0006458200000000, -0.0006950500000000, 0.0011109500000000 ] - [ 0.0013648100000000, 0.0001458600000000, 0.0028321400000000 ] - [ -0.0001759500000000, 0.0002822000000000, -0.0005492300000000 ] - [ -0.0004175200000000, 0.0005309400000000, -0.0008374700000000 ] - [ -0.0001185800000000, 0.0002400600000000, -0.0005090000000000 ] - [ 0.0018803500000000, -0.0076377200000000, -0.0005221300000000 ] - [ 0.0003121500000000, -0.0002177300000000, 0.0010715000000000 ] - [ -0.0006194800000000, -0.0007585700000000, 0.0011341100000000 ] - [ -0.0010605000000000, -0.0001593500000000, -0.0015843400000000 ] - [ -0.0014732200000000, 0.0001185100000000, -0.0020171900000000 ] - [ -0.0008345000000000, -0.0002674400000000, -0.0010233500000000 ] - [ 0.0011768200000000, -0.0028200500000000, 0.0024347700000000 ] - [ 0.0013258600000000, -0.0004655000000000, 0.0015247600000000 ] - [ 0.0010510400000000, -0.0093931900000000, 0.0022259500000000 ] - [ 0.0002510800000000, 0.0000869000000000, -0.0006611600000000 ] - [ -0.0002284200000000, -0.0001601000000000, -0.0014098900000000 ] - [ 0.0001435000000000, 0.0001702600000000, -0.0009809600000000 ] - [ 0.0012588300000000, 0.0006024900000000, 0.0006680300000000 ] - [ 0.0007640500000000, 0.0000306800000000, 0.0008127900000000 ] - [ -0.0022273900000000, 0.0042162200000000, -0.0051475400000000 ] - [ -0.0005398400000000, -0.0006395300000000, -0.0020152000000000 ] - [ 0.0002555200000000, 0.0001105200000000, -0.0004580500000000 ] - [ 0.0002890400000000, -0.0000975100000000, -0.0007412700000000 ] - [ -0.0008198200000000, -0.0001295900000000, -0.0011688800000000 ] - [ -0.0008663400000000, -0.0000302100000000, -0.0009013000000000 ] - [ -0.0014363500000000, 0.0000788800000000, -0.0020631900000000 ] - [ 0.0000159200000000, 0.0102577000000000, -0.0009425700000000 ] - [ -0.0000752700000000, 0.0011311300000000, 0.0011433100000000 ] - [ 0.0001855700000000, 0.0016913800000000, 0.0005902600000000 ] - [ 0.0000118300000000, 0.0034671900000000, -0.0005675300000000 ] - [ -0.0002112500000000, 0.0001110000000000, -0.0006000300000000 ] - [ 0.0000888600000000, -0.0001815800000000, -0.0010077100000000 ] - [ 0.0000834100000000, 0.0000050000000000, 0.0003059600000000 ] - [ 0.0004256300000000, -0.0001846800000000, 0.0003325000000000 ] - [ 0.0000960000000000, 0.0001116500000000, 0.0000931900000000 ] - [ 0.0004772700000000, 0.0005308200000000, -0.0028671500000000 ] - [ -0.0005889900000000, 0.0001951400000000, -0.0001757900000000 ] - [ 0.0019265400000000, 0.0019525700000000, -0.0026331100000000 ] - [ -0.0001596700000000, -0.0000769100000000, 0.0005957700000000 ] - [ 0.0001468800000000, 0.0000663500000000, 0.0007839100000000 ] - [ -0.0001736600000000, -0.0001168000000000, 0.0007743700000000 ] - [ -0.0004263600000000, -0.0002286800000000, 0.0001040900000000 ] - [ -0.0001509100000000, 0.0000312400000000, -0.0000500800000000 ] - [ 0.0010302800000000, -0.0034315700000000, 0.0011204600000000 ] - [ 0.0001345400000000, 0.0005039900000000, 0.0009152600000000 ] - [ -0.0000159000000000, -0.0000301200000000, 0.0004479900000000 ] - [ -0.0002370800000000, 0.0000907000000000, 0.0005865400000000 ] - [ -0.0000740000000000, 0.0001342700000000, 0.0002538600000000 ] - [ 0.0002116300000000, 0.0000878400000000, 0.0000370000000000 ] - [ 0.0003870900000000, 0.0001034600000000, 0.0005533500000000 ] - [ 0.0008438100000000, -0.0017717400000000, -0.0050563700000000 ] - [ 0.0003075900000000, -0.0006330400000000, -0.0008273400000000 ] - [ -0.0008933400000000, -0.0011054100000000, -0.0001976900000000 ] - [ 0.0016757500000000, -0.0000130600000000, -0.0035253000000000 ] - [ -0.0005741800000000, -0.0000127800000000, -0.0012632900000000 ] - [ 0.0010643100000000, 0.0006283300000000, -0.0029999100000000 ] - [ 0.0004175900000000, 0.0001258600000000, 0.0007458600000000 ] - [ 0.0007679700000000, 0.0000708100000000, 0.0011253200000000 ] - [ 0.0002757100000000, 0.0000563200000000, 0.0005139700000000 ] - [ -0.0013418500000000, 0.0000774000000000, -0.0033052900000000 ] - [ -0.0007717700000000, 0.0000780000000000, -0.0009789400000000 ] - [ -0.0009957700000000, 0.0029756800000000, -0.0038341400000000 ] - [ 0.0000434500000000, -0.0000856100000000, 0.0009714700000000 ] - [ 0.0004306700000000, -0.0000766500000000, 0.0014876100000000 ] - [ 0.0001423800000000, -0.0001993500000000, 0.0011152500000000 ] - [ -0.0007599800000000, -0.0005215500000000, 0.0003981800000000 ] - [ -0.0002393800000000, -0.0002117600000000, -0.0000579600000000 ] - [ 0.0011413900000000, -0.0006648300000000, 0.0028026500000000 ] - [ 0.0006193000000000, 0.0009170500000000, 0.0020826300000000 ] - [ 0.0000984600000000, 0.0002657100000000, 0.0004594400000000 ] - [ -0.0003991700000000, 0.0004158900000000, 0.0007890300000000 ] - [ 0.0000058800000000, -0.0000973500000000, 0.0003238100000000 ] - [ 0.0003556000000000, -0.0001065600000000, 0.0001343100000000 ] - [ 0.0011932700000000, 0.0004427700000000, 0.0016775200000000 ] - [ 0.0012502400000000, -0.0031920100000000, 0.0024988300000000 ] - [ -0.0000873600000000, 0.0000862700000000, -0.0007899300000000 ] - [ -0.0002212200000000, -0.0001866500000000, -0.0001125800000000 ] - [ -0.0010107400000000, -0.0000728700000000, -0.0009367800000000 ] - [ -0.0003944900000000, -0.0000241600000000, -0.0014286200000000 ] - [ -0.0006646900000000, 0.0026225000000000, 0.0012084300000000 ] - [ 0.0006812200000000, -0.0004230300000000, 0.0012646400000000 ] - [ -0.0001029600000000, -0.0005541500000000, -0.0000268100000000 ] - [ -0.0001646900000000, -0.0006716500000000, 0.0005450600000000 ] - [ 0.0004126400000000, -0.0003960900000000, 0.0013066000000000 ] - [ 0.0004138100000000, -0.0003391100000000, 0.0009413900000000 ] - [ 0.0011890500000000, -0.0007374900000000, 0.0020802400000000 ] - [ 0.0009598400000000, 0.0013700400000000, 0.0016469900000000 ] - [ -0.0002083500000000, -0.0002646500000000, -0.0001960800000000 ] - [ -0.0003690100000000, -0.0004997900000000, -0.0001840800000000 ] - [ 0.0015106500000000, 0.0017240200000000, -0.0026227400000000 ] - [ -0.0005492600000000, -0.0000566000000000, -0.0002637500000000 ] - [ 0.0001154400000000, -0.0001276800000000, -0.0010358600000000 ] - [ 0.0003938800000000, 0.0004646500000000, 0.0011909400000000 ] - [ 0.0010093100000000, 0.0004792000000000, 0.0019719500000000 ] - [ 0.0004823100000000, 0.0004616200000000, 0.0011028200000000 ] - [ -0.0012738900000000, 0.0012560900000000, -0.0031420900000000 ] - [ -0.0009167500000000, 0.0002061900000000, -0.0016601300000000 ] - [ -0.0016316500000000, -0.0016041400000000, -0.0036772900000000 ] - [ -0.0000033500000000, 0.0003737900000000, 0.0002811800000000 ] - [ 0.0005268500000000, 0.0004692800000000, 0.0010622300000000 ] - [ 0.0000120100000000, 0.0004457200000000, 0.0003574200000000 ]- atom: 25 displacement: [ 0.0099999690333460, 0.0000000000000000, -0.0000248863842565 ] forces: - [ 0.0000534800000000, -0.0002494600000000, 0.0000067700000000 ] - [ -0.0012832900000000, 0.0007363900000000, 0.0014830800000000 ] - [ 0.0006548600000000, 0.0004091500000000, 0.0005679300000000 ] - [ -0.0004137100000000, -0.0008467100000000, 0.0009253300000000 ] - [ -0.0002434900000000, -0.0001811600000000, -0.0000452100000000 ] - [ 0.0002820900000000, -0.0004121900000000, 0.0002968100000000 ] - [ -0.0010869300000000, -0.0005949600000000, -0.0002628300000000 ] - [ 0.0009065100000000, -0.0009603300000000, 0.0002347900000000 ] - [ 0.0005166500000000, -0.0001372500000000, -0.0003596000000000 ] - [ -0.0000627300000000, -0.0002261000000000, -0.0001144800000000 ] - [ 0.0004586900000000, -0.0000788900000000, 0.0000733800000000 ] - [ -0.0000301500000000, 0.0004338400000000, 0.0007796600000000 ] - [ -0.0010088200000000, 0.0025863600000000, -0.0028233300000000 ] - [ 0.0007925600000000, 0.0003794200000000, -0.0005014100000000 ] - [ 0.0008448600000000, -0.0009783300000000, -0.0006284700000000 ] - [ 0.0000546800000000, 0.0002573100000000, 0.0000446400000000 ] - [ 0.0000690400000000, 0.0002645100000000, 0.0003774700000000 ] - [ 0.0002282500000000, 0.0002572300000000, 0.0001387500000000 ] - [ 0.0015541500000000, 0.0021976600000000, -0.0006856300000000 ] - [ -0.0019867100000000, -0.0015788400000000, -0.0020123700000000 ] - [ 0.0005661000000000, 0.0001179100000000, -0.0001959900000000 ] - [ -0.0000846100000000, 0.0001837800000000, 0.0004423100000000 ] - [ -0.0001463700000000, 0.0002060400000000, 0.0003276500000000 ] - [ -0.0001482000000000, 0.0002118800000000, 0.0006530300000000 ] - [ -0.0652055400000000, -0.0178124200000000, -0.0307294100000000 ] - [ 0.0010116100000000, 0.0000859400000000, -0.0001170100000000 ] - [ 0.0010037600000000, 0.0001691100000000, -0.0000316800000000 ] - [ 0.0001708800000000, 0.0002654100000000, 0.0003755100000000 ] - [ 0.0004000100000000, 0.0005780500000000, 0.0008032100000000 ] - [ 0.0004011600000000, 0.0005679000000000, 0.0008423100000000 ] - [ -0.0005079100000000, 0.0006409000000000, -0.0008986100000000 ] - [ -0.0004744700000000, 0.0005859500000000, -0.0008730700000000 ] - [ 0.0000075600000000, 0.0001424700000000, -0.0001985900000000 ] - [ 0.0000469700000000, -0.0000640800000000, 0.0001746300000000 ] - [ 0.0000059700000000, -0.0000392100000000, 0.0001721100000000 ] - [ 0.0001683600000000, -0.0001927400000000, 0.0004062100000000 ] - [ -0.0001873100000000, -0.0001844000000000, -0.0002989600000000 ] - [ -0.0001420000000000, -0.0001984000000000, -0.0001603100000000 ] - [ 0.0001113100000000, 0.0000069900000000, 0.0000832200000000 ] - [ -0.0000266600000000, 0.0000342100000000, 0.0001276200000000 ] - [ -0.0000307300000000, -0.0000218600000000, 0.0000167300000000 ] - [ 0.0001637800000000, 0.0001792900000000, 0.0003532100000000 ] - [ -0.0005403600000000, 0.0002050400000000, -0.0003348100000000 ] - [ 0.0009425100000000, -0.0020643500000000, 0.0030091800000000 ] - [ 0.0004074900000000, -0.0003669700000000, 0.0004181700000000 ] - [ -0.0005442400000000, 0.0002188400000000, -0.0002349600000000 ] - [ 0.0004052200000000, -0.0003610800000000, 0.0003831800000000 ] - [ 0.0009577900000000, -0.0025250500000000, 0.0029859400000000 ] - [ -0.0011400700000000, -0.0018960800000000, -0.0048943200000000 ] - [ 0.0157923500000000, -0.0033090700000000, 0.0244774000000000 ] - [ 0.0005247000000000, -0.0004924700000000, 0.0006414000000000 ] - [ -0.0003029600000000, -0.0002949700000000, 0.0006736400000000 ] - [ -0.0003683200000000, -0.0000923400000000, 0.0001820500000000 ] - [ 0.0003904200000000, 0.0005258700000000, 0.0019357700000000 ] - [ 0.0005060200000000, 0.0001377500000000, 0.0001966100000000 ] - [ 0.0008862500000000, 0.0002402600000000, 0.0008598900000000 ] - [ 0.0007790500000000, -0.0000224500000000, 0.0006220400000000 ] - [ 0.0002796700000000, -0.0000235900000000, -0.0002368600000000 ] - [ 0.0005957900000000, -0.0000280200000000, 0.0001779500000000 ] - [ 0.0007497700000000, -0.0003249800000000, 0.0006499200000000 ] - [ -0.0004155500000000, 0.0013047800000000, -0.0014300500000000 ] - [ 0.0005339700000000, -0.0000650300000000, -0.0000075600000000 ] - [ 0.0004078700000000, 0.0003317000000000, -0.0002287200000000 ] - [ 0.0006875500000000, 0.0001886300000000, 0.0005795500000000 ] - [ 0.0008498400000000, 0.0001126500000000, 0.0008729600000000 ] - [ 0.0008456800000000, 0.0002688000000000, 0.0009280300000000 ] - [ 0.0082681900000000, -0.0131545300000000, 0.0199073700000000 ] - [ -0.0018383800000000, -0.0006165100000000, -0.0047166600000000 ] - [ 0.0004573500000000, -0.0000965100000000, 0.0006025100000000 ] - [ -0.0003453800000000, 0.0001038100000000, 0.0002032500000000 ] - [ -0.0004363900000000, -0.0003876100000000, 0.0006080400000000 ] - [ 0.0005086400000000, 0.0004805600000000, 0.0019048000000000 ] - [ -0.0004039300000000, 0.0006052100000000, 0.0014270300000000 ] - [ -0.0004312600000000, 0.0076344200000000, -0.0050364800000000 ] - [ -0.0005672100000000, 0.0003192500000000, -0.0002512400000000 ] - [ 0.0002654700000000, 0.0001176100000000, -0.0006022500000000 ] - [ 0.0000325200000000, 0.0000292900000000, -0.0003723200000000 ] - [ -0.0001068600000000, -0.0003130100000000, -0.0009604700000000 ] - [ -0.0000091600000000, -0.0001572100000000, 0.0001741800000000 ] - [ -0.0001409300000000, -0.0002945600000000, -0.0001475500000000 ] - [ -0.0002653100000000, -0.0000551000000000, 0.0000834600000000 ] - [ 0.0001679800000000, 0.0000818100000000, 0.0004226500000000 ] - [ -0.0002616900000000, -0.0000298600000000, 0.0003115500000000 ] - [ -0.0003269200000000, 0.0002521700000000, 0.0000979400000000 ] - [ 0.0003968200000000, -0.0009978900000000, 0.0010517200000000 ] - [ -0.0002359000000000, 0.0002329900000000, 0.0004447000000000 ] - [ -0.0003476900000000, -0.0002495400000000, 0.0004842500000000 ] - [ -0.0001237400000000, -0.0000787800000000, 0.0000791200000000 ] - [ -0.0001909500000000, -0.0000326400000000, -0.0000134700000000 ] - [ -0.0001344800000000, -0.0001357300000000, -0.0000947500000000 ] - [ 0.0015291300000000, 0.0077621100000000, -0.0034752300000000 ] - [ -0.0001841800000000, 0.0002440200000000, 0.0011557400000000 ] - [ -0.0005473600000000, 0.0001540200000000, -0.0002656800000000 ] - [ 0.0000377900000000, -0.0000275100000000, -0.0003508300000000 ] - [ 0.0003218300000000, 0.0002166800000000, -0.0006726700000000 ] - [ -0.0001769100000000, -0.0003203300000000, -0.0009304300000000 ] - [ 0.0018790900000000, 0.0011401800000000, 0.0013178200000000 ] - [ -0.0070121900000000, -0.0006621400000000, -0.0061078600000000 ] - [ -0.0005640600000000, -0.0000270800000000, -0.0006280900000000 ] - [ 0.0005268000000000, -0.0002805000000000, -0.0006098600000000 ] - [ -0.0001643000000000, 0.0000297700000000, -0.0004784300000000 ] - [ -0.0010717500000000, 0.0006083600000000, -0.0027233500000000 ] - [ -0.0000097600000000, -0.0000459400000000, 0.0003757300000000 ] - [ -0.0001720900000000, 0.0002594200000000, -0.0001167100000000 ] - [ -0.0004163400000000, 0.0000465100000000, -0.0000160000000000 ] - [ 0.0001242500000000, -0.0003044400000000, 0.0002481100000000 ] - [ -0.0001854500000000, -0.0000788600000000, 0.0001765800000000 ] - [ -0.0003880700000000, -0.0000558200000000, -0.0002457100000000 ] - [ 0.0005982400000000, -0.0001676400000000, 0.0013305600000000 ] - [ -0.0001198100000000, -0.0002905500000000, 0.0008094100000000 ] - [ -0.0002821500000000, 0.0000608900000000, 0.0004830200000000 ] - [ -0.0002365400000000, -0.0000250300000000, -0.0001133300000000 ] - [ -0.0002878500000000, -0.0000974600000000, -0.0002783600000000 ] - [ -0.0003702500000000, -0.0000702100000000, -0.0004088900000000 ] - [ 0.0101887500000000, -0.0063098400000000, -0.0194073700000000 ] - [ -0.0006110600000000, -0.0002469400000000, 0.0021433700000000 ] - [ -0.0010393700000000, 0.0002272000000000, -0.0004001200000000 ] - [ 0.0000361100000000, 0.0000327900000000, -0.0005927300000000 ] - [ -0.0000760700000000, 0.0000651200000000, -0.0009455600000000 ] - [ -0.0004603400000000, 0.0001994700000000, -0.0015998000000000 ] - [ 0.0427208300000000, 0.0252706900000000, 0.0257579500000000 ] - [ -0.0013181700000000, -0.0001705300000000, -0.0006779400000000 ] - [ -0.0009069100000000, -0.0007153000000000, 0.0015826600000000 ] - [ -0.0003630200000000, -0.0004162900000000, -0.0008258900000000 ] - [ -0.0009030200000000, -0.0003795800000000, -0.0018485800000000 ] - [ -0.0005335700000000, -0.0004747200000000, -0.0012147800000000 ] - [ 0.0002588300000000, -0.0009765000000000, 0.0006095100000000 ] - [ 0.0007182400000000, -0.0006289200000000, 0.0010603500000000 ] - [ 0.0000935700000000, -0.0004488100000000, 0.0005417900000000 ] - [ 0.0000461500000000, -0.0004283500000000, 0.0000583000000000 ] - [ 0.0002358000000000, -0.0003711100000000, 0.0002497200000000 ] - [ -0.0000573600000000, -0.0004727200000000, -0.0002235000000000 ] - [ 0.0003960600000000, 0.0003428600000000, 0.0008076800000000 ] - [ 0.0009830600000000, -0.0006707600000000, 0.0013986800000000 ] - [ 0.0000482600000000, 0.0002874500000000, 0.0004808200000000 ] - [ 0.0000909500000000, 0.0004744300000000, -0.0000534000000000 ] - [ 0.0001505300000000, 0.0004273500000000, 0.0002053800000000 ] - [ -0.0000353500000000, 0.0004005600000000, -0.0001113400000000 ] - [ 0.0001210000000000, 0.0001589500000000, -0.0006474100000000 ] - [ -0.0014528800000000, 0.0011408000000000, -0.0030719800000000 ] - [ -0.0005742600000000, 0.0004860400000000, -0.0007609600000000 ] - [ 0.0015376000000000, 0.0010391500000000, 0.0010114800000000 ] - [ -0.0008596300000000, 0.0003886800000000, -0.0009289100000000 ] - [ -0.0058276700000000, 0.0020345200000000, -0.0076761200000000 ]- atom: 25 displacement: [ -0.0099999690333460, 0.0000000000000000, 0.0000248863842565 ] forces: - [ -0.0003353000000000, -0.0001738500000000, 0.0003005900000000 ] - [ 0.0010224400000000, -0.0012059000000000, -0.0012346000000000 ] - [ -0.0008454100000000, -0.0008661200000000, -0.0002693600000000 ] - [ 0.0001325300000000, 0.0004246700000000, -0.0006221200000000 ] - [ -0.0000273100000000, -0.0002829400000000, 0.0002957300000000 ] - [ -0.0004639500000000, -0.0000384600000000, 0.0000027100000000 ] - [ 0.0012761700000000, 0.0001481100000000, -0.0000430400000000 ] - [ -0.0006409000000000, 0.0004993000000000, -0.0004869800000000 ] - [ -0.0002374800000000, -0.0002876400000000, 0.0000564600000000 ] - [ 0.0002448400000000, -0.0002268400000000, -0.0001900100000000 ] - [ -0.0001877900000000, -0.0003873700000000, -0.0003268700000000 ] - [ 0.0003107100000000, -0.0008600100000000, -0.0010887100000000 ] - [ 0.0011740500000000, -0.0021458600000000, 0.0025424300000000 ] - [ -0.0005231600000000, 0.0000899600000000, 0.0002522500000000 ] - [ -0.0005629500000000, 0.0014116700000000, 0.0003243200000000 ] - [ 0.0001278800000000, 0.0001948700000000, -0.0003480300000000 ] - [ 0.0002021500000000, 0.0002010700000000, -0.0006345600000000 ] - [ 0.0000514000000000, 0.0001669300000000, -0.0004454700000000 ] - [ -0.0018395600000000, -0.0017892500000000, 0.0009914300000000 ] - [ 0.0017075300000000, 0.0020321200000000, 0.0022785000000000 ] - [ -0.0007481600000000, 0.0003294200000000, 0.0005008300000000 ] - [ -0.0001975300000000, 0.0002397000000000, -0.0001391600000000 ] - [ -0.0001238200000000, 0.0002588300000000, -0.0000769500000000 ] - [ -0.0000329900000000, 0.0002395500000000, -0.0003545900000000 ] - [ 0.0659881800000000, 0.0170942900000000, 0.0297160500000000 ] - [ -0.0008561600000000, 0.0001107400000000, 0.0003044600000000 ] - [ -0.0008645000000000, 0.0000157400000000, 0.0002043300000000 ] - [ -0.0000265700000000, -0.0000787900000000, -0.0002047200000000 ] - [ -0.0002562400000000, -0.0003930100000000, -0.0006338600000000 ] - [ -0.0002552100000000, -0.0003843300000000, -0.0006740100000000 ] - [ 0.0003617600000000, -0.0004565900000000, 0.0007296900000000 ] - [ 0.0003313700000000, -0.0004015900000000, 0.0007046600000000 ] - [ -0.0001526000000000, 0.0000451400000000, 0.0000264400000000 ] - [ -0.0001971300000000, 0.0002531900000000, -0.0003511900000000 ] - [ -0.0001515300000000, 0.0002276100000000, -0.0003472700000000 ] - [ -0.0003153600000000, 0.0003829700000000, -0.0005830000000000 ] - [ 0.0000393900000000, -0.0000025500000000, 0.0001262100000000 ] - [ -0.0000034200000000, 0.0000106800000000, -0.0000136700000000 ] - [ -0.0002574600000000, -0.0001955300000000, -0.0002569300000000 ] - [ -0.0001234900000000, -0.0002235500000000, -0.0003043500000000 ] - [ -0.0001151700000000, -0.0001667500000000, -0.0001918800000000 ] - [ -0.0003099600000000, -0.0003688600000000, -0.0005286900000000 ] - [ 0.0006914400000000, -0.0003970700000000, 0.0005128000000000 ] - [ -0.0008200800000000, 0.0019088900000000, -0.0028631300000000 ] - [ -0.0002592200000000, 0.0001788200000000, -0.0002426300000000 ] - [ 0.0006871600000000, -0.0004023400000000, 0.0004017800000000 ] - [ -0.0002613700000000, 0.0001759100000000, -0.0002133700000000 ] - [ -0.0008047200000000, 0.0023454200000000, -0.0028314400000000 ] - [ 0.0000445200000000, 0.0016965800000000, 0.0045108900000000 ] - [ -0.0169957000000000, 0.0033337700000000, -0.0247234500000000 ] - [ -0.0016442600000000, 0.0002855500000000, -0.0010738400000000 ] - [ -0.0008103600000000, 0.0000912700000000, -0.0011163600000000 ] - [ -0.0007459700000000, -0.0001142100000000, -0.0006218400000000 ] - [ -0.0015121600000000, -0.0007337600000000, -0.0023852600000000 ] - [ 0.0006125000000000, -0.0003441800000000, 0.0002441500000000 ] - [ 0.0002239100000000, -0.0004491900000000, -0.0004293700000000 ] - [ 0.0003291200000000, -0.0001816500000000, -0.0001904400000000 ] - [ 0.0008387600000000, -0.0001821600000000, 0.0006784600000000 ] - [ 0.0005162500000000, -0.0001772700000000, 0.0002560500000000 ] - [ 0.0003599300000000, 0.0001231100000000, -0.0002161300000000 ] - [ 0.0015380700000000, -0.0011052700000000, 0.0018787400000000 ] - [ 0.0005786000000000, 0.0002684800000000, 0.0004437600000000 ] - [ 0.0007030900000000, -0.0001298100000000, 0.0006655300000000 ] - [ 0.0004287300000000, 0.0000158700000000, -0.0001430600000000 ] - [ 0.0002605900000000, 0.0000919700000000, -0.0004434300000000 ] - [ 0.0002615000000000, -0.0000665300000000, -0.0004995400000000 ] - [ -0.0094091500000000, 0.0134361300000000, -0.0204917700000000 ] - [ 0.0007246600000000, 0.0008344500000000, 0.0042568300000000 ] - [ -0.0015782700000000, 0.0003054400000000, -0.0010491700000000 ] - [ -0.0007647500000000, 0.0001006700000000, -0.0006381300000000 ] - [ -0.0006751900000000, 0.0005983900000000, -0.0010466100000000 ] - [ -0.0016367900000000, -0.0002803500000000, -0.0023648100000000 ] - [ 0.0006402900000000, -0.0005437100000000, -0.0018895800000000 ] - [ 0.0007293900000000, -0.0076423200000000, 0.0045775600000000 ] - [ 0.0008157400000000, -0.0002677300000000, -0.0002046200000000 ] - [ -0.0000271000000000, -0.0000570000000000, 0.0001572900000000 ] - [ 0.0002000800000000, 0.0000162500000000, -0.0000818900000000 ] - [ 0.0003528400000000, 0.0003653000000000, 0.0005124800000000 ] - [ -0.0002369100000000, 0.0002074400000000, 0.0002773000000000 ] - [ -0.0000913300000000, 0.0003413800000000, 0.0006068400000000 ] - [ 0.0000287300000000, 0.0001144900000000, 0.0003656200000000 ] - [ -0.0004133300000000, -0.0000324700000000, 0.0000279600000000 ] - [ 0.0000301500000000, 0.0000727000000000, 0.0001451800000000 ] - [ 0.0000891200000000, -0.0001936300000000, 0.0003510700000000 ] - [ -0.0006451000000000, 0.0009516400000000, -0.0006039400000000 ] - [ 0.0000045500000000, -0.0002755800000000, 0.0000093300000000 ] - [ 0.0001103100000000, 0.0001918800000000, -0.0000372000000000 ] - [ -0.0001215300000000, 0.0000297300000000, 0.0003743700000000 ] - [ -0.0000411700000000, -0.0000105500000000, 0.0004722900000000 ] - [ -0.0001032300000000, 0.0000768000000000, 0.0005462400000000 ] - [ -0.0013296700000000, -0.0078586300000000, 0.0030236800000000 ] - [ 0.0004148800000000, -0.0002972900000000, -0.0016093100000000 ] - [ 0.0007944400000000, -0.0002077300000000, -0.0001846700000000 ] - [ 0.0002006200000000, -0.0000329900000000, -0.0000976100000000 ] - [ -0.0000921200000000, -0.0002640600000000, 0.0002192000000000 ] - [ 0.0004253900000000, 0.0002729900000000, 0.0004845500000000 ] - [ -0.0016135200000000, -0.0011787500000000, -0.0017525300000000 ] - [ 0.0073607300000000, 0.0006156600000000, 0.0058799300000000 ] - [ 0.0008237900000000, 0.0000165000000000, 0.0002110200000000 ] - [ -0.0002464300000000, 0.0002481200000000, 0.0001996100000000 ] - [ 0.0004724300000000, -0.0000406800000000, 0.0000784400000000 ] - [ 0.0013314200000000, -0.0006182900000000, 0.0023209800000000 ] - [ -0.0002490600000000, 0.0000370000000000, 0.0000349200000000 ] - [ -0.0001347500000000, -0.0002703000000000, 0.0005235700000000 ] - [ 0.0001393200000000, -0.0000776300000000, 0.0004352000000000 ] - [ -0.0003823400000000, 0.0002970500000000, 0.0001654500000000 ] - [ -0.0001211400000000, 0.0000698600000000, 0.0002302300000000 ] - [ 0.0001101100000000, 0.0000251500000000, 0.0006665200000000 ] - [ -0.0008608100000000, 0.0001790300000000, -0.0009255600000000 ] - [ -0.0001859900000000, 0.0003029500000000, -0.0004094500000000 ] - [ 0.0000039600000000, -0.0000302000000000, -0.0000667100000000 ] - [ -0.0000196700000000, 0.0000347500000000, 0.0005283700000000 ] - [ -0.0000175800000000, 0.0001084000000000, 0.0006869700000000 ] - [ 0.0000933300000000, 0.0001021900000000, 0.0008322500000000 ] - [ -0.0101833500000000, 0.0064671800000000, 0.0192512100000000 ] - [ 0.0009046300000000, 0.0002520400000000, -0.0025386200000000 ] - [ 0.0013029000000000, -0.0002175000000000, -0.0000088700000000 ] - [ 0.0002433300000000, -0.0000010600000000, 0.0001762700000000 ] - [ 0.0003834500000000, -0.0000549400000000, 0.0005444900000000 ] - [ 0.0007232300000000, -0.0001910000000000, 0.0012006000000000 ] - [ -0.0435249900000000, -0.0254817800000000, -0.0259009700000000 ] - [ 0.0008491500000000, -0.0006553100000000, -0.0001874400000000 ] - [ 0.0004628900000000, -0.0000828200000000, -0.0024674900000000 ] - [ -0.0001422600000000, -0.0003964200000000, -0.0000417000000000 ] - [ 0.0004382100000000, -0.0004426900000000, 0.0010018700000000 ] - [ 0.0000859600000000, -0.0003288800000000, 0.0003616500000000 ] - [ 0.0001907300000000, 0.0001749900000000, 0.0002489400000000 ] - [ -0.0002528200000000, -0.0001903300000000, -0.0002096800000000 ] - [ 0.0004134300000000, -0.0003624400000000, 0.0003298200000000 ] - [ 0.0004061100000000, -0.0003749200000000, 0.0008057400000000 ] - [ 0.0002313600000000, -0.0004509000000000, 0.0006052300000000 ] - [ 0.0005659600000000, -0.0003388400000000, 0.0011004300000000 ] - [ 0.0000536600000000, 0.0004608600000000, 0.0000503800000000 ] - [ -0.0005199800000000, 0.0014983000000000, -0.0005491800000000 ] - [ 0.0004597000000000, 0.0005265000000000, 0.0003892400000000 ] - [ 0.0003616500000000, 0.0003296600000000, 0.0009187000000000 ] - [ 0.0003183400000000, 0.0003941000000000, 0.0006513500000000 ] - [ 0.0005437700000000, 0.0004117500000000, 0.0009868000000000 ] - [ -0.0006315400000000, 0.0006557500000000, -0.0002260400000000 ] - [ 0.0010044600000000, -0.0003348800000000, 0.0022467500000000 ] - [ 0.0001246600000000, 0.0003177400000000, -0.0001016200000000 ] - [ -0.0020441400000000, -0.0002292500000000, -0.0018762200000000 ] - [ 0.0003938600000000, 0.0004332300000000, 0.0000804700000000 ] - [ 0.0053986800000000, -0.0012335700000000, 0.0068042500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001479600000000, -0.0000234600000000, 0.0001821300000000 ] - [ -0.0011581300000000, 0.0011053600000000, 0.0013024200000000 ] - [ 0.0009448400000000, 0.0007650700000000, 0.0006044700000000 ] - [ -0.0003676600000000, -0.0008683300000000, 0.0007968500000000 ] - [ -0.0002711900000000, -0.0003203200000000, 0.0001253100000000 ] - [ 0.0002635600000000, -0.0004555200000000, 0.0002824200000000 ] - [ -0.0007008100000000, -0.0007397900000000, -0.0005917000000000 ] - [ 0.0007337500000000, -0.0009987600000000, -0.0000213400000000 ] - [ 0.0003227300000000, -0.0003266500000000, -0.0003101800000000 ] - [ -0.0001344200000000, -0.0000773100000000, 0.0001277900000000 ] - [ 0.0004787700000000, -0.0000304100000000, 0.0001476000000000 ] - [ -0.0000083000000000, 0.0006753900000000, 0.0010343200000000 ] - [ 0.0011033800000000, 0.0042288500000000, -0.0037196200000000 ] - [ 0.0005614200000000, 0.0002779700000000, -0.0006971300000000 ] - [ -0.0000877800000000, -0.0000373100000000, -0.0014422900000000 ] - [ 0.0000209700000000, 0.0003079100000000, 0.0001965600000000 ] - [ 0.0000835200000000, 0.0003394900000000, 0.0005528600000000 ] - [ 0.0002404400000000, 0.0002982100000000, 0.0002689900000000 ] - [ 0.0021796200000000, 0.0023036500000000, -0.0012034800000000 ] - [ -0.0038909900000000, 0.0039542800000000, -0.0011772100000000 ] - [ 0.0001757600000000, 0.0002661500000000, -0.0003886500000000 ] - [ -0.0000757600000000, 0.0001545400000000, 0.0005843100000000 ] - [ -0.0001716900000000, 0.0001668600000000, 0.0004703400000000 ] - [ -0.0001375900000000, 0.0001607500000000, 0.0008037300000000 ] - [ -0.0188978700000000, -0.1091101700000000, -0.0280257500000000 ] - [ 0.0001436200000000, -0.0008774600000000, -0.0013481700000000 ] - [ 0.0000594900000000, -0.0008775300000000, -0.0013490500000000 ] - [ 0.0002450800000000, 0.0003908100000000, 0.0005954500000000 ] - [ 0.0005488600000000, 0.0007871000000000, 0.0011258100000000 ] - [ 0.0005607600000000, 0.0007877000000000, 0.0011746000000000 ] - [ -0.0006249000000000, 0.0008776200000000, -0.0011727900000000 ] - [ -0.0005659800000000, 0.0007555800000000, -0.0010321700000000 ] - [ -0.0001219200000000, 0.0002912000000000, -0.0004200400000000 ] - [ 0.0000841600000000, -0.0001139500000000, 0.0002763600000000 ] - [ 0.0000610300000000, -0.0001027700000000, 0.0002909500000000 ] - [ 0.0002153300000000, -0.0002379800000000, 0.0005060500000000 ] - [ -0.0001655400000000, -0.0001777800000000, -0.0003025800000000 ] - [ -0.0001774200000000, -0.0001811900000000, -0.0002736200000000 ] - [ 0.0000282300000000, -0.0000610600000000, -0.0000554600000000 ] - [ 0.0000546800000000, 0.0001488800000000, 0.0002834600000000 ] - [ 0.0000001400000000, 0.0000361500000000, 0.0001124200000000 ] - [ 0.0002014400000000, 0.0002396000000000, 0.0004369900000000 ] - [ -0.0002363700000000, -0.0002764400000000, 0.0003385800000000 ] - [ 0.0025082600000000, -0.0041176900000000, 0.0041573600000000 ] - [ 0.0003428000000000, -0.0003625700000000, 0.0004325200000000 ] - [ -0.0002252700000000, -0.0002787800000000, 0.0004235000000000 ] - [ 0.0003451000000000, -0.0003628500000000, 0.0004323800000000 ] - [ 0.0020565900000000, -0.0041132900000000, 0.0032858600000000 ] - [ -0.0023807100000000, -0.0035941400000000, -0.0023293000000000 ] - [ 0.0037111100000000, -0.0360859000000000, 0.0077015200000000 ] - [ 0.0001076000000000, -0.0006688800000000, -0.0001103500000000 ] - [ -0.0000880800000000, -0.0003474300000000, 0.0012653700000000 ] - [ -0.0002407000000000, -0.0001188800000000, 0.0005441100000000 ] - [ 0.0007142700000000, 0.0006080100000000, 0.0026438300000000 ] - [ 0.0005728700000000, 0.0002965200000000, 0.0002909200000000 ] - [ 0.0008595000000000, 0.0005416900000000, 0.0007302200000000 ] - [ 0.0007750800000000, 0.0001149200000000, 0.0006148100000000 ] - [ 0.0004571100000000, 0.0003262500000000, 0.0000330700000000 ] - [ 0.0005500000000000, -0.0000518400000000, 0.0001346800000000 ] - [ 0.0008067600000000, -0.0000592100000000, 0.0006878900000000 ] - [ -0.0002701300000000, 0.0025400700000000, -0.0008658900000000 ] - [ 0.0003532500000000, 0.0005266100000000, -0.0002559800000000 ] - [ 0.0002557300000000, 0.0005239800000000, -0.0004966300000000 ] - [ 0.0007729400000000, 0.0002326900000000, 0.0007985000000000 ] - [ 0.0009363300000000, 0.0001494300000000, 0.0010848300000000 ] - [ 0.0009407300000000, 0.0003066400000000, 0.0011491900000000 ] - [ 0.0045786100000000, -0.0343708700000000, 0.0167475500000000 ] - [ -0.0023460500000000, -0.0024404200000000, -0.0024362000000000 ] - [ 0.0001237800000000, -0.0002891600000000, -0.0000570700000000 ] - [ -0.0002393000000000, -0.0000067500000000, 0.0005655000000000 ] - [ -0.0002245600000000, -0.0005494800000000, 0.0012816700000000 ] - [ 0.0009017900000000, 0.0006243500000000, 0.0027658300000000 ] - [ -0.0003776600000000, 0.0015932100000000, 0.0012269200000000 ] - [ -0.0008423600000000, 0.0135843900000000, -0.0011780300000000 ] - [ -0.0003267200000000, 0.0004278800000000, -0.0000320400000000 ] - [ 0.0002573600000000, 0.0001561700000000, -0.0008510700000000 ] - [ 0.0000551600000000, 0.0000449700000000, -0.0005176700000000 ] - [ -0.0002153600000000, -0.0003402200000000, -0.0011985600000000 ] - [ -0.0000090000000000, -0.0002982300000000, 0.0000969200000000 ] - [ -0.0001381200000000, -0.0005732900000000, -0.0001506000000000 ] - [ -0.0002589800000000, -0.0001671900000000, 0.0000641200000000 ] - [ 0.0000187600000000, -0.0001791600000000, 0.0004389300000000 ] - [ -0.0002027600000000, 0.0000099400000000, 0.0003146500000000 ] - [ -0.0003314100000000, 0.0000439800000000, 0.0001584100000000 ] - [ 0.0001130800000000, -0.0020704700000000, 0.0011256800000000 ] - [ -0.0000148300000000, -0.0002554900000000, 0.0006103400000000 ] - [ -0.0002956900000000, -0.0003520900000000, 0.0006139300000000 ] - [ -0.0001214900000000, -0.0001073900000000, -0.0000206900000000 ] - [ -0.0002040400000000, -0.0000559900000000, -0.0001020800000000 ] - [ -0.0001537300000000, -0.0001676400000000, -0.0001955100000000 ] - [ 0.0008501400000000, 0.0143502900000000, -0.0007802500000000 ] - [ -0.0001724700000000, 0.0012730500000000, 0.0009582800000000 ] - [ -0.0003344100000000, 0.0002806500000000, -0.0000119700000000 ] - [ 0.0000807600000000, 0.0000111000000000, -0.0005115500000000 ] - [ 0.0003728100000000, 0.0002546100000000, -0.0009748400000000 ] - [ -0.0003231300000000, -0.0003835900000000, -0.0011825600000000 ] - [ 0.0020081600000000, 0.0013809800000000, 0.0005987200000000 ] - [ -0.0080107200000000, 0.0019061400000000, -0.0168572800000000 ] - [ -0.0002929200000000, 0.0001895200000000, -0.0002498600000000 ] - [ 0.0002671100000000, -0.0001327100000000, -0.0011339600000000 ] - [ -0.0001520000000000, -0.0000331200000000, -0.0006859300000000 ] - [ -0.0016094200000000, 0.0011487300000000, -0.0035086100000000 ] - [ -0.0000533600000000, -0.0000333200000000, 0.0003586700000000 ] - [ -0.0001481000000000, 0.0001279900000000, 0.0000778900000000 ] - [ -0.0003501700000000, 0.0000521100000000, 0.0000720300000000 ] - [ 0.0000774700000000, -0.0004467500000000, 0.0000971300000000 ] - [ -0.0001494800000000, -0.0001311400000000, 0.0001332100000000 ] - [ -0.0004082000000000, -0.0002007300000000, -0.0002503400000000 ] - [ 0.0004332000000000, -0.0010789500000000, 0.0010623300000000 ] - [ -0.0001010700000000, -0.0004747900000000, 0.0009261200000000 ] - [ -0.0001106800000000, -0.0000303800000000, 0.0006939200000000 ] - [ -0.0002838700000000, -0.0000709700000000, -0.0002825900000000 ] - [ -0.0003465900000000, -0.0001361100000000, -0.0004531700000000 ] - [ -0.0004345100000000, -0.0001235400000000, -0.0005827300000000 ] - [ -0.0101821600000000, 0.0220394800000000, -0.0233195700000000 ] - [ 0.0009468200000000, 0.0006857700000000, 0.0011628700000000 ] - [ -0.0007433700000000, 0.0006298400000000, 0.0004558900000000 ] - [ -0.0000364500000000, 0.0000824500000000, -0.0008726300000000 ] - [ -0.0002687300000000, 0.0001561100000000, -0.0014383100000000 ] - [ -0.0006702000000000, 0.0002550900000000, -0.0021929100000000 ] - [ 0.0340819300000000, 0.1189358800000000, 0.0576668000000000 ] - [ -0.0009531400000000, 0.0002046500000000, 0.0002690800000000 ] - [ 0.0004243100000000, 0.0003735900000000, 0.0008848100000000 ] - [ -0.0004567800000000, -0.0004106100000000, -0.0011126400000000 ] - [ -0.0011206000000000, -0.0003843500000000, -0.0023604800000000 ] - [ -0.0007505000000000, -0.0004796900000000, -0.0016914200000000 ] - [ 0.0002467300000000, -0.0012099700000000, 0.0006768800000000 ] - [ 0.0006933700000000, -0.0009491800000000, 0.0008597300000000 ] - [ 0.0002053100000000, -0.0005306400000000, 0.0006723000000000 ] - [ 0.0000281400000000, -0.0004269300000000, -0.0000187000000000 ] - [ 0.0001623600000000, -0.0003931500000000, 0.0001019100000000 ] - [ -0.0000881400000000, -0.0004982100000000, -0.0002840600000000 ] - [ 0.0005072700000000, 0.0001761300000000, 0.0009550000000000 ] - [ 0.0009925700000000, -0.0008206700000000, 0.0015427800000000 ] - [ 0.0002146800000000, 0.0000616700000000, 0.0008241200000000 ] - [ -0.0000014200000000, 0.0004520700000000, -0.0002355400000000 ] - [ 0.0001000400000000, 0.0004366300000000, 0.0000468300000000 ] - [ -0.0000989700000000, 0.0004086400000000, -0.0002593400000000 ] - [ -0.0001643700000000, 0.0003607300000000, -0.0012471200000000 ] - [ -0.0024278100000000, 0.0021041400000000, -0.0041887800000000 ] - [ -0.0005728100000000, 0.0004385000000000, -0.0009404400000000 ] - [ 0.0015211700000000, 0.0013394600000000, 0.0002463900000000 ] - [ -0.0005540700000000, 0.0005548800000000, -0.0006125400000000 ] - [ -0.0068206700000000, 0.0050172600000000, -0.0138164700000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001327200000000, -0.0004034400000000, 0.0001223700000000 ] - [ 0.0009000700000000, -0.0015865600000000, -0.0010708500000000 ] - [ -0.0011362000000000, -0.0012247300000000, -0.0003101200000000 ] - [ 0.0000892100000000, 0.0004530800000000, -0.0005031300000000 ] - [ 0.0000026400000000, -0.0001454000000000, 0.0001267000000000 ] - [ -0.0004498000000000, 0.0000057000000000, 0.0000175700000000 ] - [ 0.0008869600000000, 0.0002934100000000, 0.0002948500000000 ] - [ -0.0004662600000000, 0.0005386500000000, -0.0002312700000000 ] - [ -0.0000425900000000, -0.0000948000000000, 0.0000061600000000 ] - [ 0.0003180200000000, -0.0003744500000000, -0.0004312400000000 ] - [ -0.0002111600000000, -0.0004363600000000, -0.0004010100000000 ] - [ 0.0002916500000000, -0.0011069200000000, -0.0013474700000000 ] - [ -0.0008781800000000, -0.0037385300000000, 0.0034304700000000 ] - [ -0.0002950800000000, 0.0001870500000000, 0.0004510600000000 ] - [ 0.0003555300000000, 0.0004711600000000, 0.0011472600000000 ] - [ 0.0001614200000000, 0.0001435900000000, -0.0005015800000000 ] - [ 0.0001873100000000, 0.0001262400000000, -0.0008121300000000 ] - [ 0.0000401700000000, 0.0001257300000000, -0.0005775500000000 ] - [ -0.0024780700000000, -0.0018942800000000, 0.0015138300000000 ] - [ 0.0036714400000000, -0.0035428500000000, 0.0014242000000000 ] - [ -0.0003602700000000, 0.0001855300000000, 0.0006944800000000 ] - [ -0.0002054500000000, 0.0002690400000000, -0.0002835000000000 ] - [ -0.0000989400000000, 0.0002985600000000, -0.0002214900000000 ] - [ -0.0000440300000000, 0.0002903000000000, -0.0005083800000000 ] - [ 0.0161930900000000, 0.1067002600000000, 0.0235926600000000 ] - [ -0.0000025200000000, 0.0010725200000000, 0.0015332400000000 ] - [ 0.0000914600000000, 0.0010724100000000, 0.0015355700000000 ] - [ -0.0001015900000000, -0.0002056300000000, -0.0004271100000000 ] - [ -0.0004085600000000, -0.0006065900000000, -0.0009624900000000 ] - [ -0.0004156200000000, -0.0006059300000000, -0.0010095700000000 ] - [ 0.0004780900000000, -0.0006926200000000, 0.0010034000000000 ] - [ 0.0004262900000000, -0.0005741400000000, 0.0008678300000000 ] - [ -0.0000230300000000, -0.0001044900000000, 0.0002495500000000 ] - [ -0.0002348800000000, 0.0003039300000000, -0.0004546600000000 ] - [ -0.0002076600000000, 0.0002923700000000, -0.0004683800000000 ] - [ -0.0003633000000000, 0.0004294200000000, -0.0006852100000000 ] - [ 0.0000173700000000, -0.0000091000000000, 0.0001304000000000 ] - [ 0.0000326700000000, -0.0000058200000000, 0.0001010000000000 ] - [ -0.0001745000000000, -0.0001275700000000, -0.0001185400000000 ] - [ -0.0002048200000000, -0.0003387200000000, -0.0004614100000000 ] - [ -0.0001458400000000, -0.0002247900000000, -0.0002876200000000 ] - [ -0.0003493400000000, -0.0004309500000000, -0.0006153400000000 ] - [ 0.0003835300000000, 0.0000911400000000, -0.0001699600000000 ] - [ -0.0023822400000000, 0.0039601900000000, -0.0040150900000000 ] - [ -0.0001959600000000, 0.0001774600000000, -0.0002617400000000 ] - [ 0.0003752300000000, 0.0000888500000000, -0.0002500000000000 ] - [ -0.0002024700000000, 0.0001771700000000, -0.0002614400000000 ] - [ -0.0019326500000000, 0.0039647700000000, -0.0031465200000000 ] - [ 0.0013031500000000, 0.0034071800000000, 0.0019146700000000 ] - [ -0.0052338900000000, 0.0360896800000000, -0.0088151700000000 ] - [ -0.0012331100000000, 0.0004704800000000, -0.0003349100000000 ] - [ -0.0010253200000000, 0.0001437700000000, -0.0017124500000000 ] - [ -0.0008740800000000, -0.0000869800000000, -0.0009842700000000 ] - [ -0.0018446400000000, -0.0008228700000000, -0.0031126600000000 ] - [ 0.0005445400000000, -0.0005065700000000, 0.0001482100000000 ] - [ 0.0002497300000000, -0.0007547100000000, -0.0003012300000000 ] - [ 0.0003319300000000, -0.0003203600000000, -0.0001857400000000 ] - [ 0.0006621200000000, -0.0005261900000000, 0.0004094900000000 ] - [ 0.0005624600000000, -0.0001539800000000, 0.0003005400000000 ] - [ 0.0003023400000000, -0.0001385000000000, -0.0002556500000000 ] - [ 0.0014042700000000, -0.0023540400000000, 0.0013329800000000 ] - [ 0.0007607300000000, -0.0003266700000000, 0.0006957300000000 ] - [ 0.0008555200000000, -0.0003214900000000, 0.0009365800000000 ] - [ 0.0003425100000000, -0.0000285000000000, -0.0003645600000000 ] - [ 0.0001717700000000, 0.0000552900000000, -0.0006601200000000 ] - [ 0.0001645700000000, -0.0001052000000000, -0.0007253400000000 ] - [ -0.0055811500000000, 0.0347670900000000, -0.0170285700000000 ] - [ 0.0012439200000000, 0.0026518100000000, 0.0020352000000000 ] - [ -0.0012471900000000, 0.0004914800000000, -0.0003814500000000 ] - [ -0.0008731200000000, 0.0002116200000000, -0.0010070500000000 ] - [ -0.0008913000000000, 0.0007616200000000, -0.0017298700000000 ] - [ -0.0020313300000000, -0.0004218400000000, -0.0032307700000000 ] - [ 0.0006143200000000, -0.0015441000000000, -0.0016865200000000 ] - [ 0.0011201600000000, -0.0137505200000000, 0.0007693500000000 ] - [ 0.0005760200000000, -0.0003818600000000, -0.0004205500000000 ] - [ -0.0000208900000000, -0.0000949600000000, 0.0004081500000000 ] - [ 0.0001781500000000, 0.0000004700000000, 0.0000637700000000 ] - [ 0.0004644200000000, 0.0003969400000000, 0.0007568300000000 ] - [ -0.0002372200000000, 0.0003519500000000, 0.0003557300000000 ] - [ -0.0000936000000000, 0.0006237900000000, 0.0006111000000000 ] - [ 0.0000223800000000, 0.0002283200000000, 0.0003859900000000 ] - [ -0.0002676300000000, 0.0002246700000000, 0.0000127900000000 ] - [ -0.0000282500000000, 0.0000341500000000, 0.0001408500000000 ] - [ 0.0000963900000000, 0.0000102200000000, 0.0002907600000000 ] - [ -0.0003610500000000, 0.0020377800000000, -0.0006852200000000 ] - [ -0.0002197000000000, 0.0002138200000000, -0.0001575900000000 ] - [ 0.0000592200000000, 0.0002927900000000, -0.0001687500000000 ] - [ -0.0001240600000000, 0.0000577700000000, 0.0004749300000000 ] - [ -0.0000270800000000, 0.0000121000000000, 0.0005622400000000 ] - [ -0.0000840100000000, 0.0001087400000000, 0.0006487400000000 ] - [ -0.0005915300000000, -0.0144180700000000, 0.0003776500000000 ] - [ 0.0004023100000000, -0.0013202700000000, -0.0014245500000000 ] - [ 0.0005863300000000, -0.0003311300000000, -0.0004423200000000 ] - [ 0.0001574200000000, -0.0000721300000000, 0.0000660700000000 ] - [ -0.0001420400000000, -0.0003030100000000, 0.0005255600000000 ] - [ 0.0005710900000000, 0.0003344800000000, 0.0007389400000000 ] - [ -0.0017481000000000, -0.0014240900000000, -0.0010255600000000 ] - [ 0.0083625400000000, -0.0019553300000000, 0.0165418700000000 ] - [ 0.0005547200000000, -0.0002003500000000, -0.0001599700000000 ] - [ 0.0000080100000000, 0.0001042500000000, 0.0007242600000000 ] - [ 0.0004618600000000, 0.0000229500000000, 0.0002847000000000 ] - [ 0.0018848200000000, -0.0011663200000000, 0.0031293700000000 ] - [ -0.0002047600000000, 0.0000245100000000, 0.0000520100000000 ] - [ -0.0001591200000000, -0.0001387700000000, 0.0003288400000000 ] - [ 0.0000733400000000, -0.0000835500000000, 0.0003486000000000 ] - [ -0.0003363500000000, 0.0004383700000000, 0.0003175300000000 ] - [ -0.0001574600000000, 0.0001227300000000, 0.0002730000000000 ] - [ 0.0001322300000000, 0.0001697800000000, 0.0006747200000000 ] - [ -0.0006971100000000, 0.0010863500000000, -0.0006640000000000 ] - [ -0.0002072800000000, 0.0004895700000000, -0.0005298700000000 ] - [ -0.0001669100000000, 0.0000605700000000, -0.0002804800000000 ] - [ 0.0000279700000000, 0.0000807400000000, 0.0007000000000000 ] - [ 0.0000425300000000, 0.0001473900000000, 0.0008655200000000 ] - [ 0.0001586900000000, 0.0001558900000000, 0.0010098100000000 ] - [ 0.0104493100000000, -0.0228763900000000, 0.0229638400000000 ] - [ -0.0006411800000000, -0.0006788800000000, -0.0015888500000000 ] - [ 0.0010067900000000, -0.0006226200000000, -0.0008770400000000 ] - [ 0.0003173300000000, -0.0000520600000000, 0.0004604800000000 ] - [ 0.0005802500000000, -0.0001468400000000, 0.0010449200000000 ] - [ 0.0009340100000000, -0.0002477500000000, 0.0017973100000000 ] - [ -0.0316532800000000, -0.1164125500000000, -0.0537125900000000 ] - [ 0.0004947600000000, -0.0010322800000000, -0.0011262000000000 ] - [ -0.0008802000000000, -0.0011775600000000, -0.0017631500000000 ] - [ -0.0000482800000000, -0.0004009600000000, 0.0002470600000000 ] - [ 0.0006621000000000, -0.0004371200000000, 0.0015262900000000 ] - [ 0.0003032100000000, -0.0003230800000000, 0.0008415600000000 ] - [ 0.0002032800000000, 0.0004086000000000, 0.0001811800000000 ] - [ -0.0002310800000000, 0.0001306500000000, -0.0000116100000000 ] - [ 0.0003021100000000, -0.0002800700000000, 0.0001974900000000 ] - [ 0.0004250400000000, -0.0003754000000000, 0.0008851500000000 ] - [ 0.0003062000000000, -0.0004278400000000, 0.0007556200000000 ] - [ 0.0005979600000000, -0.0003122500000000, 0.0011635900000000 ] - [ -0.0000574600000000, 0.0006279300000000, -0.0000989500000000 ] - [ -0.0005363100000000, 0.0016590000000000, -0.0007047000000000 ] - [ 0.0002928700000000, 0.0007541700000000, 0.0000435000000000 ] - [ 0.0004546800000000, 0.0003505200000000, 0.0011038800000000 ] - [ 0.0003691400000000, 0.0003838000000000, 0.0008110200000000 ] - [ 0.0006097500000000, 0.0004028200000000, 0.0011385000000000 ] - [ -0.0003418200000000, 0.0004511300000000, 0.0003825500000000 ] - [ 0.0019775300000000, -0.0012966400000000, 0.0033645600000000 ] - [ 0.0001248600000000, 0.0003640900000000, 0.0000839900000000 ] - [ -0.0020426200000000, -0.0005325800000000, -0.0011274900000000 ] - [ 0.0000903300000000, 0.0002667300000000, -0.0002401700000000 ] - [ 0.0064270700000000, -0.0042392100000000, 0.0130725500000000 ]- atom: 25 displacement: [ -0.0037952304666203, 0.0000000000000000, 0.0092518228314877 ] forces: - [ -0.0003276200000000, 0.0001136700000000, 0.0002806300000000 ] - [ -0.0009061000000000, 0.0010127700000000, 0.0013934900000000 ] - [ 0.0008668100000000, 0.0005572800000000, 0.0006820100000000 ] - [ -0.0002824600000000, -0.0011042700000000, 0.0012446100000000 ] - [ -0.0003941000000000, -0.0004843300000000, 0.0003886200000000 ] - [ 0.0002814800000000, -0.0004697800000000, 0.0003469000000000 ] - [ -0.0007683100000000, -0.0015579700000000, 0.0003565100000000 ] - [ 0.0010547500000000, -0.0011458900000000, 0.0001834700000000 ] - [ 0.0000220900000000, -0.0005312100000000, -0.0001663500000000 ] - [ -0.0001839400000000, 0.0000426300000000, 0.0002657000000000 ] - [ 0.0004534300000000, -0.0000245900000000, 0.0001842200000000 ] - [ 0.0000664000000000, 0.0006531700000000, 0.0010456600000000 ] - [ -0.0008252900000000, -0.0012253300000000, -0.0035024100000000 ] - [ 0.0003053700000000, 0.0001025700000000, -0.0009130500000000 ] - [ 0.0006536400000000, -0.0003358600000000, -0.0017941100000000 ] - [ -0.0000045000000000, 0.0003193600000000, 0.0003356400000000 ] - [ 0.0001485700000000, 0.0003232800000000, 0.0006170700000000 ] - [ 0.0001971200000000, 0.0002724100000000, 0.0003706000000000 ] - [ 0.0014783800000000, 0.0014811300000000, -0.0022339900000000 ] - [ -0.0021873600000000, 0.0023745100000000, -0.0029343200000000 ] - [ 0.0000099800000000, 0.0003792800000000, -0.0005971000000000 ] - [ -0.0001110400000000, 0.0001775800000000, 0.0006976400000000 ] - [ -0.0002007200000000, 0.0001563200000000, 0.0006146600000000 ] - [ -0.0000752700000000, 0.0001747800000000, 0.0008774900000000 ] - [ -0.0041064000000000, -0.0179332400000000, -0.0824534900000000 ] - [ -0.0003977300000000, -0.0012319400000000, -0.0021016800000000 ] - [ -0.0004810000000000, -0.0012659300000000, -0.0021406700000000 ] - [ 0.0003047300000000, 0.0005004100000000, 0.0007815300000000 ] - [ 0.0006514700000000, 0.0009172400000000, 0.0013148300000000 ] - [ 0.0006157800000000, 0.0008755100000000, 0.0012989100000000 ] - [ -0.0006635400000000, 0.0008884100000000, -0.0013360000000000 ] - [ -0.0006509200000000, 0.0007824600000000, -0.0012245100000000 ] - [ -0.0002082800000000, 0.0003845700000000, -0.0006068100000000 ] - [ 0.0001229300000000, -0.0001829500000000, 0.0003951500000000 ] - [ 0.0001389200000000, -0.0002060000000000, 0.0004583600000000 ] - [ 0.0002939400000000, -0.0003459000000000, 0.0006614800000000 ] - [ -0.0002283800000000, -0.0002591900000000, -0.0003702800000000 ] - [ -0.0001145300000000, -0.0002272400000000, -0.0002001800000000 ] - [ 0.0000142200000000, -0.0001036300000000, -0.0000775900000000 ] - [ 0.0001076400000000, 0.0002006500000000, 0.0004032400000000 ] - [ 0.0000083100000000, 0.0000631400000000, 0.0001741000000000 ] - [ 0.0002461600000000, 0.0002871100000000, 0.0005258600000000 ] - [ 0.0000170500000000, -0.0005218000000000, 0.0009660600000000 ] - [ 0.0024260300000000, -0.0022930300000000, 0.0030166300000000 ] - [ 0.0002236000000000, -0.0003102100000000, 0.0004363200000000 ] - [ -0.0000836400000000, -0.0004457000000000, 0.0009188600000000 ] - [ 0.0002519500000000, -0.0003116600000000, 0.0004471700000000 ] - [ 0.0024542400000000, -0.0029428800000000, 0.0030394200000000 ] - [ -0.0042196800000000, -0.0000922500000000, -0.0015946000000000 ] - [ 0.0162423000000000, -0.0052227400000000, 0.0337078700000000 ] - [ -0.0002623100000000, -0.0001584700000000, -0.0005510900000000 ] - [ 0.0001632700000000, -0.0000610200000000, 0.0018245100000000 ] - [ -0.0001514900000000, -0.0000778100000000, 0.0008427900000000 ] - [ 0.0007549900000000, 0.0005871500000000, 0.0027494600000000 ] - [ 0.0006883800000000, 0.0002409100000000, 0.0005780400000000 ] - [ 0.0010325300000000, 0.0003588800000000, 0.0011262300000000 ] - [ 0.0008183500000000, 0.0000722900000000, 0.0007553800000000 ] - [ 0.0003426500000000, -0.0003205800000000, -0.0001078800000000 ] - [ 0.0004839700000000, -0.0002316100000000, 0.0000201700000000 ] - [ 0.0007546600000000, -0.0004121300000000, 0.0006415100000000 ] - [ -0.0005754900000000, 0.0012632800000000, -0.0018521500000000 ] - [ 0.0002369000000000, 0.0001304300000000, -0.0006620500000000 ] - [ 0.0001309100000000, 0.0002529700000000, -0.0008400100000000 ] - [ 0.0008551100000000, 0.0002576900000000, 0.0010177800000000 ] - [ 0.0010324500000000, 0.0001665500000000, 0.0013095700000000 ] - [ 0.0010606500000000, 0.0003047700000000, 0.0014080100000000 ] - [ 0.0112147300000000, -0.0132870800000000, 0.0271514700000000 ] - [ -0.0032767500000000, -0.0003835500000000, -0.0016862600000000 ] - [ -0.0001845400000000, 0.0001854500000000, -0.0006636300000000 ] - [ -0.0001595200000000, -0.0000567400000000, 0.0009045000000000 ] - [ 0.0001730600000000, -0.0002783700000000, 0.0019442300000000 ] - [ 0.0008116900000000, 0.0005103000000000, 0.0026116000000000 ] - [ 0.0014097900000000, 0.0002505200000000, 0.0003926000000000 ] - [ -0.0048125900000000, 0.0096428000000000, -0.0029717600000000 ] - [ -0.0002254000000000, 0.0001327400000000, 0.0001094700000000 ] - [ 0.0002034800000000, -0.0000242400000000, -0.0010092600000000 ] - [ 0.0000846500000000, 0.0000144900000000, -0.0006312000000000 ] - [ -0.0002490400000000, -0.0003537000000000, -0.0012380600000000 ] - [ -0.0000183500000000, -0.0002737300000000, -0.0000117800000000 ] - [ -0.0002044300000000, -0.0004103300000000, -0.0002559500000000 ] - [ -0.0002346700000000, -0.0001362600000000, 0.0000102800000000 ] - [ 0.0001136600000000, 0.0003761700000000, 0.0003371800000000 ] - [ -0.0001275100000000, 0.0001622600000000, 0.0003283400000000 ] - [ -0.0004294500000000, 0.0003452900000000, 0.0001530400000000 ] - [ 0.0002173400000000, -0.0008629600000000, 0.0014499500000000 ] - [ -0.0001492900000000, 0.0000819400000000, 0.0007939500000000 ] - [ -0.0001794400000000, -0.0001347200000000, 0.0007342000000000 ] - [ -0.0001142700000000, -0.0001219200000000, -0.0001135900000000 ] - [ -0.0002192600000000, -0.0000610400000000, -0.0001869600000000 ] - [ -0.0001893400000000, -0.0001593500000000, -0.0002794500000000 ] - [ -0.0022927700000000, 0.0093335800000000, -0.0030547000000000 ] - [ 0.0008781500000000, 0.0003661400000000, 0.0004136000000000 ] - [ -0.0003290500000000, 0.0000145700000000, 0.0001683900000000 ] - [ 0.0001359500000000, 0.0000201900000000, -0.0006591100000000 ] - [ 0.0002325200000000, 0.0000709900000000, -0.0011357900000000 ] - [ -0.0002844200000000, -0.0003495300000000, -0.0011219500000000 ] - [ 0.0017847700000000, 0.0007070800000000, -0.0000391800000000 ] - [ -0.0003124500000000, -0.0007613900000000, -0.0097787900000000 ] - [ 0.0000022400000000, 0.0001646200000000, -0.0001288700000000 ] - [ 0.0001266500000000, -0.0002430500000000, -0.0016864300000000 ] - [ -0.0000995700000000, -0.0001284000000000, -0.0008765100000000 ] - [ -0.0016207300000000, 0.0006500800000000, -0.0033447900000000 ] - [ -0.0000379400000000, 0.0001506500000000, 0.0001971500000000 ] - [ -0.0002898200000000, 0.0003520500000000, -0.0002001900000000 ] - [ -0.0003648200000000, 0.0001292900000000, 0.0000033000000000 ] - [ 0.0000217900000000, -0.0002899100000000, -0.0000335600000000 ] - [ -0.0001175500000000, -0.0001295700000000, 0.0001146100000000 ] - [ -0.0004374700000000, -0.0001122600000000, -0.0003427000000000 ] - [ 0.0005908600000000, -0.0001932400000000, 0.0019354800000000 ] - [ 0.0000612600000000, -0.0002302800000000, 0.0013729000000000 ] - [ -0.0000091400000000, 0.0000999200000000, 0.0010200300000000 ] - [ -0.0003211400000000, -0.0000945100000000, -0.0004578000000000 ] - [ -0.0004186900000000, -0.0001431400000000, -0.0006475500000000 ] - [ -0.0005204200000000, -0.0001255500000000, -0.0007812500000000 ] - [ -0.0193717200000000, -0.0100042600000000, -0.0059813000000000 ] - [ 0.0015206500000000, 0.0001779100000000, 0.0016271500000000 ] - [ -0.0003722100000000, 0.0005745500000000, 0.0011527400000000 ] - [ -0.0000832100000000, 0.0001140600000000, -0.0011191200000000 ] - [ -0.0004563600000000, 0.0001911800000000, -0.0018196000000000 ] - [ -0.0006486600000000, 0.0002156400000000, -0.0021956600000000 ] - [ 0.0054445900000000, 0.0287889500000000, 0.0533878800000000 ] - [ -0.0006045900000000, 0.0002324400000000, 0.0009320000000000 ] - [ 0.0009697000000000, -0.0001755100000000, 0.0018351700000000 ] - [ -0.0005199300000000, -0.0004231300000000, -0.0013432100000000 ] - [ -0.0011970200000000, -0.0004190600000000, -0.0025417200000000 ] - [ -0.0008898100000000, -0.0004680600000000, -0.0019992400000000 ] - [ 0.0002741600000000, -0.0011602800000000, 0.0008547500000000 ] - [ 0.0007966100000000, -0.0008025800000000, 0.0011880900000000 ] - [ 0.0002977900000000, -0.0005229800000000, 0.0008626500000000 ] - [ 0.0000050900000000, -0.0004036900000000, -0.0001495700000000 ] - [ 0.0000764200000000, -0.0003794300000000, -0.0001243000000000 ] - [ -0.0002017800000000, -0.0004750200000000, -0.0005226300000000 ] - [ 0.0005955600000000, 0.0001861300000000, 0.0011175000000000 ] - [ 0.0010489000000000, -0.0007573000000000, 0.0016343600000000 ] - [ 0.0002615500000000, 0.0001098200000000, 0.0009440900000000 ] - [ -0.0000862700000000, 0.0004865100000000, -0.0004411300000000 ] - [ 0.0000670600000000, 0.0004693700000000, -0.0001030900000000 ] - [ -0.0001728900000000, 0.0004256300000000, -0.0004174200000000 ] - [ -0.0004634300000000, 0.0003086200000000, -0.0019599000000000 ] - [ -0.0021239500000000, 0.0010789400000000, -0.0034386600000000 ] - [ -0.0005075500000000, 0.0003513100000000, -0.0011422400000000 ] - [ 0.0013424900000000, 0.0010812900000000, -0.0001435700000000 ] - [ -0.0002961300000000, 0.0005403500000000, -0.0004026200000000 ] - [ -0.0041398200000000, 0.0016042900000000, -0.0109444100000000 ]- atom: 25 displacement: [ 0.0037952304666203, 0.0000000000000000, -0.0092518228314877 ] forces: - [ 0.0000446300000000, -0.0005369000000000, 0.0000239400000000 ] - [ 0.0006486700000000, -0.0014860300000000, -0.0011565000000000 ] - [ -0.0010577500000000, -0.0010156800000000, -0.0003850000000000 ] - [ 0.0000022500000000, 0.0006846400000000, -0.0009475100000000 ] - [ 0.0001238700000000, 0.0000199900000000, -0.0001392200000000 ] - [ -0.0004649500000000, 0.0000192600000000, -0.0000489400000000 ] - [ 0.0009598300000000, 0.0011050800000000, -0.0006542000000000 ] - [ -0.0007894300000000, 0.0006856700000000, -0.0004345400000000 ] - [ 0.0002557300000000, 0.0001062600000000, -0.0001345500000000 ] - [ 0.0003667100000000, -0.0004952600000000, -0.0005677900000000 ] - [ -0.0001834100000000, -0.0004414900000000, -0.0004360300000000 ] - [ 0.0002155800000000, -0.0010805400000000, -0.0013536400000000 ] - [ 0.0009992000000000, 0.0016660600000000, 0.0032361300000000 ] - [ -0.0000368800000000, 0.0003646700000000, 0.0006665600000000 ] - [ -0.0003697600000000, 0.0007632400000000, 0.0014984000000000 ] - [ 0.0001871800000000, 0.0001328000000000, -0.0006373100000000 ] - [ 0.0001232400000000, 0.0001422200000000, -0.0008730100000000 ] - [ 0.0000826300000000, 0.0001516500000000, -0.0006764800000000 ] - [ -0.0017684600000000, -0.0010702700000000, 0.0025484000000000 ] - [ 0.0019200900000000, -0.0019010700000000, 0.0032105500000000 ] - [ -0.0001950500000000, 0.0000703100000000, 0.0009004900000000 ] - [ -0.0001712900000000, 0.0002458300000000, -0.0003965700000000 ] - [ -0.0000698300000000, 0.0003084200000000, -0.0003658000000000 ] - [ -0.0001058900000000, 0.0002764600000000, -0.0005819300000000 ] - [ 0.0024499100000000, 0.0164517300000000, 0.0820808400000000 ] - [ 0.0005405600000000, 0.0014247600000000, 0.0022855000000000 ] - [ 0.0006288000000000, 0.0014553900000000, 0.0023168800000000 ] - [ -0.0001605600000000, -0.0003140500000000, -0.0006111200000000 ] - [ -0.0005082600000000, -0.0007328800000000, -0.0011464200000000 ] - [ -0.0004705400000000, -0.0006930400000000, -0.0011322600000000 ] - [ 0.0005190000000000, -0.0007062000000000, 0.0011698200000000 ] - [ 0.0005085200000000, -0.0005987000000000, 0.0010571400000000 ] - [ 0.0000630200000000, -0.0001972500000000, 0.0004350600000000 ] - [ -0.0002733000000000, 0.0003722900000000, -0.0005721800000000 ] - [ -0.0002845500000000, 0.0003945400000000, -0.0006338800000000 ] - [ -0.0004412900000000, 0.0005365300000000, -0.0008391100000000 ] - [ 0.0000802400000000, 0.0000719200000000, 0.0001973000000000 ] - [ -0.0000308300000000, 0.0000396200000000, 0.0000260800000000 ] - [ -0.0001606200000000, -0.0000850200000000, -0.0000963500000000 ] - [ -0.0002576200000000, -0.0003899800000000, -0.0005801400000000 ] - [ -0.0001540800000000, -0.0002516400000000, -0.0003490800000000 ] - [ -0.0003930500000000, -0.0004774200000000, -0.0007025900000000 ] - [ 0.0001343800000000, 0.0003293200000000, -0.0007846600000000 ] - [ -0.0023015500000000, 0.0021439900000000, -0.0028790700000000 ] - [ -0.0000771200000000, 0.0001239000000000, -0.0002631100000000 ] - [ 0.0002289400000000, 0.0002602200000000, -0.0007518000000000 ] - [ -0.0001082700000000, 0.0001262200000000, -0.0002766800000000 ] - [ -0.0023246000000000, 0.0027623200000000, -0.0028774800000000 ] - [ 0.0030921500000000, -0.0000817000000000, 0.0011752300000000 ] - [ -0.0170590200000000, 0.0053220600000000, -0.0340552700000000 ] - [ -0.0008618000000000, -0.0000435500000000, 0.0001102800000000 ] - [ -0.0012770700000000, -0.0001427000000000, -0.0022693400000000 ] - [ -0.0009626000000000, -0.0001282300000000, -0.0012820200000000 ] - [ -0.0018782400000000, -0.0007955900000000, -0.0032025500000000 ] - [ 0.0004302900000000, -0.0004485600000000, -0.0001371100000000 ] - [ 0.0000770700000000, -0.0005690000000000, -0.0006967500000000 ] - [ 0.0002892200000000, -0.0002769300000000, -0.0003247800000000 ] - [ 0.0007768900000000, 0.0001162500000000, 0.0005509300000000 ] - [ 0.0006280400000000, 0.0000260800000000, 0.0004141600000000 ] - [ 0.0003536600000000, 0.0002107400000000, -0.0002105400000000 ] - [ 0.0017004500000000, -0.0010717000000000, 0.0023039300000000 ] - [ 0.0008760200000000, 0.0000749400000000, 0.0010995800000000 ] - [ 0.0009803300000000, -0.0000535700000000, 0.0012772900000000 ] - [ 0.0002610500000000, -0.0000532600000000, -0.0005817400000000 ] - [ 0.0000773700000000, 0.0000382000000000, -0.0008813800000000 ] - [ 0.0000459500000000, -0.0001029200000000, -0.0009810600000000 ] - [ -0.0125195900000000, 0.0135007000000000, -0.0278516600000000 ] - [ 0.0021895600000000, 0.0005903100000000, 0.0012706600000000 ] - [ -0.0009381600000000, 0.0000232300000000, 0.0002174900000000 ] - [ -0.0009514600000000, 0.0002607000000000, -0.0013405300000000 ] - [ -0.0012833700000000, 0.0004910100000000, -0.0023818000000000 ] - [ -0.0019416600000000, -0.0003107000000000, -0.0030761700000000 ] - [ -0.0011591700000000, -0.0002024200000000, -0.0008513600000000 ] - [ 0.0050207200000000, -0.0096688200000000, 0.0025597500000000 ] - [ 0.0004753900000000, -0.0000841600000000, -0.0005633800000000 ] - [ 0.0000343800000000, 0.0000849500000000, 0.0005650800000000 ] - [ 0.0001480300000000, 0.0000309100000000, 0.0001768900000000 ] - [ 0.0004960300000000, 0.0004065500000000, 0.0007914500000000 ] - [ -0.0002279100000000, 0.0003249200000000, 0.0004635000000000 ] - [ -0.0000276400000000, 0.0004583000000000, 0.0007159100000000 ] - [ -0.0000016800000000, 0.0001961600000000, 0.0004391700000000 ] - [ -0.0003602400000000, -0.0003280000000000, 0.0001131500000000 ] - [ -0.0001037600000000, -0.0001189800000000, 0.0001280200000000 ] - [ 0.0001931200000000, -0.0002872900000000, 0.0002964500000000 ] - [ -0.0004676700000000, 0.0008238700000000, -0.0010045300000000 ] - [ -0.0000822100000000, -0.0001263400000000, -0.0003399900000000 ] - [ -0.0000566400000000, 0.0000787300000000, -0.0002879000000000 ] - [ -0.0001310700000000, 0.0000726900000000, 0.0005672400000000 ] - [ -0.0000125300000000, 0.0000175400000000, 0.0006462400000000 ] - [ -0.0000483300000000, 0.0001006300000000, 0.0007316200000000 ] - [ 0.0025643400000000, -0.0094485100000000, 0.0025928400000000 ] - [ -0.0006508500000000, -0.0004116800000000, -0.0008760900000000 ] - [ 0.0005774300000000, -0.0000682800000000, -0.0006199000000000 ] - [ 0.0001028900000000, -0.0000806000000000, 0.0002110300000000 ] - [ -0.0000033600000000, -0.0001196600000000, 0.0006826200000000 ] - [ 0.0005332900000000, 0.0003026000000000, 0.0006778100000000 ] - [ -0.0015109100000000, -0.0007463600000000, -0.0003906600000000 ] - [ 0.0007318600000000, 0.0007087200000000, 0.0095556400000000 ] - [ 0.0002596300000000, -0.0001751200000000, -0.0002834800000000 ] - [ 0.0001522500000000, 0.0002120800000000, 0.0012771900000000 ] - [ 0.0004077300000000, 0.0001175500000000, 0.0004758300000000 ] - [ 0.0018851800000000, -0.0006592200000000, 0.0029446600000000 ] - [ -0.0002205400000000, -0.0001588500000000, 0.0002130100000000 ] - [ -0.0000168500000000, -0.0003631300000000, 0.0006075200000000 ] - [ 0.0000882700000000, -0.0001604500000000, 0.0004162300000000 ] - [ -0.0002804300000000, 0.0002825300000000, 0.0004467000000000 ] - [ -0.0001888700000000, 0.0001207200000000, 0.0002917400000000 ] - [ 0.0001606600000000, 0.0000814700000000, 0.0007652500000000 ] - [ -0.0008538900000000, 0.0002079700000000, -0.0015331900000000 ] - [ -0.0003679500000000, 0.0002420200000000, -0.0009740800000000 ] - [ -0.0002685700000000, -0.0000683600000000, -0.0006041300000000 ] - [ 0.0000651900000000, 0.0001041500000000, 0.0008732000000000 ] - [ 0.0001136900000000, 0.0001541900000000, 0.0010570100000000 ] - [ 0.0002441400000000, 0.0001575900000000, 0.0012056800000000 ] - [ 0.0200286700000000, 0.0102722400000000, 0.0053610800000000 ] - [ -0.0012158200000000, -0.0001676600000000, -0.0020499000000000 ] - [ 0.0006377100000000, -0.0005679900000000, -0.0015644200000000 ] - [ 0.0003628700000000, -0.0000825400000000, 0.0007037700000000 ] - [ 0.0007635200000000, -0.0001810100000000, 0.0014189300000000 ] - [ 0.0009127300000000, -0.0002077200000000, 0.0017997000000000 ] - [ -0.0047061900000000, -0.0283390200000000, -0.0536010000000000 ] - [ 0.0001416800000000, -0.0010584000000000, -0.0017909400000000 ] - [ -0.0014220000000000, -0.0006324100000000, -0.0026973600000000 ] - [ 0.0000146500000000, -0.0003893900000000, 0.0004759500000000 ] - [ 0.0007332000000000, -0.0004035200000000, 0.0016976300000000 ] - [ 0.0004430200000000, -0.0003352500000000, 0.0011480500000000 ] - [ 0.0001754000000000, 0.0003617600000000, 0.0000042000000000 ] - [ -0.0003324100000000, -0.0000171700000000, -0.0003392000000000 ] - [ 0.0002095800000000, -0.0002882800000000, 0.0000082900000000 ] - [ 0.0004475800000000, -0.0003992400000000, 0.0010143300000000 ] - [ 0.0003907100000000, -0.0004425300000000, 0.0009793900000000 ] - [ 0.0007108900000000, -0.0003363400000000, 0.0014006700000000 ] - [ -0.0001462000000000, 0.0006185400000000, -0.0002600000000000 ] - [ -0.0005870500000000, 0.0015895300000000, -0.0007881100000000 ] - [ 0.0002463800000000, 0.0007039900000000, -0.0000743200000000 ] - [ 0.0005389700000000, 0.0003172100000000, 0.0013071900000000 ] - [ 0.0004017200000000, 0.0003520400000000, 0.0009598400000000 ] - [ 0.0006820200000000, 0.0003867400000000, 0.0012940100000000 ] - [ -0.0000482200000000, 0.0005056500000000, 0.0010847700000000 ] - [ 0.0016776700000000, -0.0002762700000000, 0.0026205800000000 ] - [ 0.0000596600000000, 0.0004517800000000, 0.0002816200000000 ] - [ -0.0018629600000000, -0.0002739200000000, -0.0007313600000000 ] - [ -0.0001683100000000, 0.0002817300000000, -0.0004467600000000 ] - [ 0.0036682100000000, -0.0007909000000000, 0.0101086800000000 ]- atom: 49 displacement: [ 0.0099999690333460, 0.0000000000000000, -0.0000248863842565 ] forces: - [ -0.0030392300000000, -0.0011381700000000, -0.0036398300000000 ] - [ 0.0025830500000000, 0.0028352600000000, 0.0013295600000000 ] - [ 0.0009183700000000, -0.0003557400000000, -0.0003675700000000 ] - [ -0.0003109000000000, -0.0003148800000000, 0.0006258000000000 ] - [ 0.0000303400000000, -0.0003153500000000, 0.0004858700000000 ] - [ -0.0001051000000000, -0.0005941200000000, 0.0011311700000000 ] - [ 0.0011406900000000, -0.0035572400000000, -0.0003704700000000 ] - [ 0.0010605900000000, -0.0002184900000000, -0.0005727200000000 ] - [ -0.0009499600000000, 0.0012941000000000, -0.0011350100000000 ] - [ 0.0002087800000000, -0.0001631200000000, 0.0002292400000000 ] - [ 0.0000966400000000, 0.0000744700000000, 0.0007043800000000 ] - [ 0.0000350600000000, -0.0001390800000000, 0.0002478000000000 ] - [ 0.0000173700000000, 0.0004524900000000, -0.0009374500000000 ] - [ 0.0013798600000000, -0.0006597300000000, 0.0001594500000000 ] - [ -0.0013052500000000, -0.0036529100000000, 0.0022673100000000 ] - [ -0.0001724100000000, 0.0006948700000000, 0.0009234100000000 ] - [ 0.0005528000000000, 0.0005368900000000, 0.0003708200000000 ] - [ -0.0000278100000000, 0.0003814400000000, 0.0000636000000000 ] - [ -0.0012062800000000, 0.0013088300000000, -0.0009020500000000 ] - [ 0.0001215700000000, 0.0000201200000000, -0.0005780500000000 ] - [ 0.0006891200000000, 0.0012928700000000, -0.0000539800000000 ] - [ -0.0002285200000000, 0.0000830400000000, 0.0003991400000000 ] - [ -0.0004163700000000, -0.0001353600000000, 0.0009516700000000 ] - [ 0.0002597600000000, -0.0000405300000000, 0.0006298000000000 ] - [ -0.0005284100000000, -0.0017607800000000, -0.0041357700000000 ] - [ 0.0011547200000000, 0.0007579900000000, 0.0008473400000000 ] - [ 0.0165433900000000, 0.0045548800000000, 0.0245156900000000 ] - [ 0.0003260500000000, 0.0005588700000000, 0.0009627000000000 ] - [ 0.0010222800000000, 0.0013658800000000, 0.0018917200000000 ] - [ 0.0002652400000000, 0.0004103700000000, 0.0006026700000000 ] - [ -0.0003548500000000, 0.0001962200000000, -0.0004359500000000 ] - [ -0.0000337300000000, 0.0001009600000000, -0.0001496800000000 ] - [ 0.0001239500000000, -0.0001587300000000, 0.0002113400000000 ] - [ -0.0001267500000000, 0.0000795700000000, 0.0000297800000000 ] - [ 0.0002568700000000, -0.0002082100000000, 0.0005606400000000 ] - [ 0.0001528000000000, -0.0001269500000000, 0.0002911400000000 ] - [ -0.0010504900000000, -0.0009271100000000, -0.0017112800000000 ] - [ -0.0000964800000000, -0.0002973700000000, -0.0004399500000000 ] - [ -0.0002184600000000, -0.0003909900000000, -0.0006015900000000 ] - [ 0.0000545400000000, 0.0001194800000000, 0.0002842500000000 ] - [ 0.0002219500000000, 0.0002860900000000, 0.0005469100000000 ] - [ 0.0002193500000000, 0.0002915500000000, 0.0005785400000000 ] - [ 0.0088336300000000, -0.0051310600000000, 0.0165134700000000 ] - [ 0.0010960500000000, -0.0007874900000000, 0.0009256800000000 ] - [ -0.0011924400000000, 0.0016818900000000, -0.0033671800000000 ] - [ 0.0002814300000000, -0.0004075300000000, 0.0005956400000000 ] - [ 0.0011461900000000, -0.0015529700000000, 0.0020076600000000 ] - [ 0.0001933400000000, -0.0004227400000000, 0.0009176700000000 ] - [ -0.3187362100000000, 0.0130260500000000, -0.1748216200000000 ] - [ 0.0041677300000000, -0.0016501300000000, 0.0010825000000000 ] - [ 0.0041004100000000, 0.0006177000000000, 0.0000423800000000 ] - [ -0.0001428500000000, -0.0000003200000000, 0.0008619300000000 ] - [ 0.0003531600000000, 0.0003464800000000, 0.0020189500000000 ] - [ 0.0003504600000000, -0.0001822400000000, 0.0019030400000000 ] - [ 0.0004616500000000, 0.0018894300000000, -0.0003414600000000 ] - [ 0.0007827700000000, 0.0004224600000000, 0.0003661800000000 ] - [ 0.0002584400000000, 0.0000439800000000, -0.0003634300000000 ] - [ 0.0006546300000000, -0.0003047400000000, 0.0004952500000000 ] - [ 0.0009651900000000, -0.0004076900000000, 0.0011071000000000 ] - [ 0.0005657300000000, -0.0010553800000000, 0.0005542100000000 ] - [ -0.0004473800000000, -0.0001244900000000, -0.0021845700000000 ] - [ 0.0005495700000000, 0.0000384500000000, -0.0001392400000000 ] - [ -0.0000340200000000, -0.0017001100000000, -0.0016710300000000 ] - [ 0.0009227600000000, 0.0000653400000000, 0.0011107100000000 ] - [ 0.0011336400000000, 0.0001308200000000, 0.0014984200000000 ] - [ 0.0008618800000000, 0.0001408100000000, 0.0009639800000000 ] - [ -0.0018127500000000, 0.0030194200000000, -0.0010464900000000 ] - [ 0.0000086600000000, -0.0000293600000000, 0.0003259500000000 ] - [ 0.0027571000000000, -0.0020989900000000, 0.0069527900000000 ] - [ -0.0018003900000000, -0.0028431700000000, -0.0003946800000000 ] - [ 0.0027532100000000, 0.0027289600000000, 0.0060826700000000 ] - [ 0.0000142300000000, 0.0004162600000000, 0.0004308000000000 ] - [ 0.0869795300000000, -0.0279085700000000, 0.0066042900000000 ] - [ -0.0013354100000000, 0.0011940600000000, 0.0000549300000000 ] - [ -0.0013886000000000, -0.0008981900000000, 0.0004284300000000 ] - [ 0.0000893500000000, -0.0000124900000000, -0.0006169700000000 ] - [ -0.0000143300000000, -0.0001824300000000, -0.0010515600000000 ] - [ -0.0000032400000000, 0.0000791800000000, -0.0009617900000000 ] - [ 0.0001233100000000, -0.0019606500000000, -0.0001249500000000 ] - [ -0.0004810300000000, -0.0004353900000000, 0.0001785900000000 ] - [ 0.0000417000000000, -0.0000670300000000, 0.0004905200000000 ] - [ -0.0001065800000000, 0.0001824300000000, 0.0001253300000000 ] - [ -0.0003600900000000, 0.0003076200000000, -0.0001080800000000 ] - [ 0.0000854900000000, 0.0008040300000000, -0.0002285800000000 ] - [ 0.0002187700000000, 0.0000518300000000, 0.0008874500000000 ] - [ -0.0004091600000000, -0.0000099800000000, 0.0004838400000000 ] - [ 0.0005003900000000, 0.0012675900000000, 0.0010624100000000 ] - [ -0.0001305200000000, 0.0000185700000000, -0.0001284200000000 ] - [ -0.0002133800000000, 0.0000118200000000, -0.0003018100000000 ] - [ -0.0001773500000000, -0.0000258800000000, -0.0000699800000000 ] - [ 0.0015843000000000, -0.0016087400000000, -0.0007507900000000 ] - [ -0.0003589100000000, 0.0000495400000000, -0.0003018000000000 ] - [ -0.0013781800000000, 0.0009857000000000, -0.0026589700000000 ] - [ 0.0017802500000000, 0.0014160400000000, -0.0012785400000000 ] - [ -0.0008942600000000, -0.0013675200000000, -0.0017292600000000 ] - [ -0.0002469600000000, -0.0002021800000000, -0.0002759800000000 ] - [ 0.1087427300000000, 0.0533023000000000, 0.0770452300000000 ] - [ -0.0018566300000000, 0.0001525400000000, -0.0006868300000000 ] - [ -0.0018608800000000, -0.0006787800000000, 0.0020404900000000 ] - [ -0.0001026500000000, -0.0001260400000000, -0.0010123000000000 ] - [ -0.0008226200000000, 0.0001154400000000, -0.0022580700000000 ] - [ -0.0001762100000000, -0.0003070000000000, -0.0017010600000000 ] - [ 0.0004566300000000, -0.0000372400000000, 0.0014597500000000 ] - [ -0.0003394200000000, 0.0001002800000000, 0.0004431200000000 ] - [ 0.0000422800000000, -0.0000826200000000, 0.0008269300000000 ] - [ -0.0002083300000000, -0.0000041100000000, -0.0001678500000000 ] - [ -0.0004956800000000, 0.0000961900000000, -0.0006370100000000 ] - [ -0.0003125100000000, 0.0001535700000000, -0.0004950600000000 ] - [ 0.0008894700000000, 0.0007621600000000, 0.0014721100000000 ] - [ -0.0003218200000000, 0.0001142900000000, 0.0004771700000000 ] - [ -0.0001477800000000, 0.0018612300000000, 0.0012078300000000 ] - [ -0.0001771400000000, -0.0002334200000000, -0.0003525700000000 ] - [ -0.0005368300000000, -0.0002311100000000, -0.0007528600000000 ] - [ -0.0003964700000000, -0.0000841300000000, -0.0003238100000000 ] - [ 0.0018612700000000, -0.0002403300000000, 0.0018582500000000 ] - [ -0.0009101000000000, -0.0001261700000000, -0.0006259100000000 ] - [ -0.0056007700000000, -0.0034774500000000, -0.0094783500000000 ] - [ 0.0002788800000000, 0.0004298800000000, -0.0007321300000000 ] - [ -0.0016655100000000, 0.0004488500000000, -0.0042863300000000 ] - [ -0.0001300800000000, -0.0000413700000000, -0.0008200900000000 ] - [ -0.0023728100000000, 0.0007302900000000, 0.0013916800000000 ] - [ -0.0018085700000000, -0.0007613700000000, -0.0006548100000000 ] - [ 0.1039088200000000, -0.0344704100000000, 0.0641497000000000 ] - [ -0.0007829300000000, -0.0003052200000000, -0.0020108700000000 ] - [ -0.0012349800000000, -0.0007293700000000, -0.0024106400000000 ] - [ -0.0004992700000000, -0.0003914000000000, -0.0012488500000000 ] - [ 0.0004640600000000, -0.0003969400000000, 0.0006012100000000 ] - [ 0.0001229800000000, -0.0004247800000000, 0.0003894600000000 ] - [ -0.0001004700000000, -0.0004795400000000, -0.0001117400000000 ] - [ 0.0004782600000000, -0.0002583300000000, 0.0006046100000000 ] - [ -0.0000727700000000, -0.0007123000000000, -0.0001229600000000 ] - [ -0.0000265700000000, -0.0004583200000000, 0.0000556100000000 ] - [ 0.0012291700000000, 0.0012331000000000, 0.0024435000000000 ] - [ 0.0005284700000000, -0.0001829800000000, 0.0018137300000000 ] - [ 0.0001681500000000, 0.0005873100000000, 0.0009308000000000 ] - [ 0.0000319800000000, 0.0004402700000000, -0.0001678100000000 ] - [ -0.0000963000000000, 0.0003894100000000, -0.0003536800000000 ] - [ -0.0001764100000000, 0.0004766900000000, -0.0005924600000000 ] - [ -0.0056287300000000, 0.0020623800000000, -0.0086883600000000 ] - [ -0.0012642400000000, 0.0006316700000000, -0.0010830200000000 ] - [ 0.0016083400000000, 0.0001427500000000, 0.0013187700000000 ] - [ -0.0005304000000000, 0.0004447400000000, -0.0010824000000000 ] - [ -0.0025012500000000, 0.0001917000000000, -0.0051016400000000 ] - [ 0.0001305700000000, 0.0002733000000000, -0.0005365100000000 ]- atom: 49 displacement: [ -0.0099999690333460, 0.0000000000000000, 0.0000248863842565 ] forces: - [ 0.0027796100000000, 0.0007321000000000, 0.0039577500000000 ] - [ -0.0028645500000000, -0.0032612300000000, -0.0010529400000000 ] - [ -0.0010988200000000, -0.0000833500000000, 0.0006745800000000 ] - [ 0.0000273600000000, -0.0001089600000000, -0.0003218400000000 ] - [ -0.0002999200000000, -0.0001493900000000, -0.0002382800000000 ] - [ -0.0000762600000000, 0.0001413700000000, -0.0008292100000000 ] - [ -0.0009713500000000, 0.0030677800000000, 0.0000940600000000 ] - [ -0.0007872300000000, -0.0002579900000000, 0.0003278300000000 ] - [ 0.0012488800000000, -0.0017374500000000, 0.0008493900000000 ] - [ -0.0000255100000000, -0.0002888400000000, -0.0005309100000000 ] - [ 0.0001748300000000, -0.0005392700000000, -0.0009537500000000 ] - [ 0.0002448000000000, -0.0002847000000000, -0.0005500200000000 ] - [ 0.0001595700000000, 0.0000106800000000, 0.0006271100000000 ] - [ -0.0010982100000000, 0.0011309800000000, -0.0004161000000000 ] - [ 0.0015763900000000, 0.0040636300000000, -0.0025645700000000 ] - [ 0.0003541200000000, -0.0002440500000000, -0.0012305900000000 ] - [ -0.0002848300000000, -0.0000695400000000, -0.0006179100000000 ] - [ 0.0003126500000000, 0.0000438100000000, -0.0003659800000000 ] - [ 0.0009197700000000, -0.0008777700000000, 0.0012099900000000 ] - [ -0.0003959000000000, 0.0004353600000000, 0.0008202500000000 ] - [ -0.0008635800000000, -0.0008487300000000, 0.0003459000000000 ] - [ -0.0000500500000000, 0.0003393000000000, -0.0000952500000000 ] - [ 0.0001449200000000, 0.0005993100000000, -0.0007029100000000 ] - [ -0.0004441900000000, 0.0004901500000000, -0.0003277300000000 ] - [ 0.0006536000000000, 0.0019127300000000, 0.0042447800000000 ] - [ -0.0010140400000000, -0.0005825600000000, -0.0006922400000000 ] - [ -0.0162445600000000, -0.0043508700000000, -0.0247436600000000 ] - [ -0.0001811900000000, -0.0003710100000000, -0.0007910200000000 ] - [ -0.0008783700000000, -0.0011786800000000, -0.0017179600000000 ] - [ -0.0001130800000000, -0.0002193500000000, -0.0004233900000000 ] - [ 0.0002035500000000, -0.0000078100000000, 0.0002604900000000 ] - [ -0.0001131900000000, 0.0000887200000000, -0.0000275100000000 ] - [ -0.0002652600000000, 0.0003432800000000, -0.0003794800000000 ] - [ -0.0000207400000000, 0.0001073400000000, -0.0002036600000000 ] - [ -0.0004053700000000, 0.0003987800000000, -0.0007388300000000 ] - [ -0.0002969300000000, 0.0003139700000000, -0.0004622800000000 ] - [ 0.0009027800000000, 0.0007415400000000, 0.0015383100000000 ] - [ -0.0000513000000000, 0.0001078200000000, 0.0002646200000000 ] - [ 0.0000770400000000, 0.0002053600000000, 0.0004321100000000 ] - [ -0.0002042100000000, -0.0003079200000000, -0.0004596700000000 ] - [ -0.0003668600000000, -0.0004736800000000, -0.0007206600000000 ] - [ -0.0003643600000000, -0.0004795700000000, -0.0007510700000000 ] - [ -0.0088242900000000, 0.0049464400000000, -0.0162332000000000 ] - [ -0.0009396100000000, 0.0005828000000000, -0.0007261800000000 ] - [ 0.0013650800000000, -0.0018966300000000, 0.0035818500000000 ] - [ -0.0001384600000000, 0.0002224800000000, -0.0004264400000000 ] - [ -0.0009979100000000, 0.0013650000000000, -0.0018322100000000 ] - [ -0.0000454500000000, 0.0002366800000000, -0.0007428600000000 ] - [ 0.3197483100000000, -0.0186118200000000, 0.1763258800000000 ] - [ -0.0052011400000000, 0.0014022500000000, -0.0014454800000000 ] - [ -0.0052633500000000, -0.0008448500000000, -0.0005158600000000 ] - [ -0.0009658800000000, -0.0002056200000000, -0.0012950800000000 ] - [ -0.0014653500000000, -0.0005515500000000, -0.0024530200000000 ] - [ -0.0014675300000000, -0.0000230300000000, -0.0023403200000000 ] - [ 0.0006482200000000, -0.0021017200000000, 0.0007700700000000 ] - [ 0.0003303300000000, -0.0006255000000000, 0.0000713200000000 ] - [ 0.0008553900000000, -0.0002458800000000, 0.0008017900000000 ] - [ 0.0004609300000000, 0.0000989900000000, -0.0000589300000000 ] - [ 0.0001487200000000, 0.0002023400000000, -0.0006711800000000 ] - [ 0.0005444000000000, 0.0008470000000000, -0.0001182400000000 ] - [ 0.0015583100000000, 0.0003320800000000, 0.0026142200000000 ] - [ 0.0005632000000000, 0.0001635300000000, 0.0005715500000000 ] - [ 0.0011464500000000, 0.0019042800000000, 0.0021101400000000 ] - [ 0.0001945000000000, 0.0001395500000000, -0.0006727700000000 ] - [ -0.0000225600000000, 0.0000731500000000, -0.0010667200000000 ] - [ 0.0002480600000000, 0.0000633500000000, -0.0005290600000000 ] - [ 0.0006899200000000, -0.0027926600000000, 0.0006005700000000 ] - [ -0.0011268900000000, 0.0002399000000000, -0.0007800100000000 ] - [ -0.0038662700000000, 0.0023439400000000, -0.0073826300000000 ] - [ 0.0006990000000000, 0.0030673100000000, -0.0000390400000000 ] - [ -0.0038656700000000, -0.0025140200000000, -0.0065178900000000 ] - [ -0.0011219200000000, -0.0002076700000000, -0.0008488200000000 ] - [ -0.0873425800000000, 0.0300642100000000, -0.0069739900000000 ] - [ 0.0015539100000000, -0.0011234800000000, -0.0005199400000000 ] - [ 0.0016402200000000, 0.0009619900000000, -0.0008811200000000 ] - [ 0.0001483800000000, 0.0000726000000000, 0.0001687100000000 ] - [ 0.0002466200000000, 0.0002250300000000, 0.0005952500000000 ] - [ 0.0002497200000000, -0.0000298000000000, 0.0005090400000000 ] - [ -0.0003660200000000, 0.0020174600000000, 0.0005840500000000 ] - [ 0.0002505600000000, 0.0004744500000000, 0.0002749500000000 ] - [ -0.0002837800000000, 0.0001222200000000, -0.0000438000000000 ] - [ -0.0001376800000000, -0.0001342500000000, 0.0003283400000000 ] - [ 0.0001258900000000, -0.0002656200000000, 0.0005653100000000 ] - [ -0.0003219600000000, -0.0007423200000000, 0.0006746900000000 ] - [ -0.0004535400000000, -0.0001008300000000, -0.0004352300000000 ] - [ 0.0001753100000000, -0.0000274900000000, -0.0000253800000000 ] - [ -0.0007500100000000, -0.0013271400000000, -0.0006166400000000 ] - [ -0.0001157700000000, -0.0000660400000000, 0.0005818400000000 ] - [ -0.0000181600000000, -0.0000529400000000, 0.0007597200000000 ] - [ -0.0000607700000000, -0.0000323500000000, 0.0005188200000000 ] - [ -0.0013341700000000, 0.0015377800000000, 0.0003014400000000 ] - [ 0.0005893200000000, -0.0000962400000000, -0.0001470300000000 ] - [ 0.0016005400000000, -0.0010485400000000, 0.0021851500000000 ] - [ -0.0015553300000000, -0.0014848700000000, 0.0008354300000000 ] - [ 0.0011412700000000, 0.0013208400000000, 0.0012729100000000 ] - [ 0.0004902200000000, 0.0001500300000000, -0.0001841500000000 ] - [ -0.1092629900000000, -0.0522238000000000, -0.0758084900000000 ] - [ 0.0021381100000000, -0.0001647200000000, 0.0002464000000000 ] - [ 0.0021399800000000, 0.0006844200000000, -0.0024635200000000 ] - [ 0.0003820200000000, 0.0000930100000000, 0.0005967000000000 ] - [ 0.0011273200000000, -0.0001257300000000, 0.0018530500000000 ] - [ 0.0004346300000000, 0.0002953900000000, 0.0012888500000000 ] - [ -0.0007104400000000, 0.0000206100000000, -0.0010403800000000 ] - [ 0.0000348300000000, -0.0001078600000000, -0.0000404600000000 ] - [ -0.0003266900000000, 0.0000524700000000, -0.0004128800000000 ] - [ -0.0000477500000000, -0.0000056500000000, 0.0005827800000000 ] - [ 0.0001879800000000, -0.0001053000000000, 0.0010413400000000 ] - [ 0.0000336100000000, -0.0001824200000000, 0.0009119600000000 ] - [ -0.0011385400000000, -0.0007494300000000, -0.0010563600000000 ] - [ 0.0000152700000000, -0.0001051000000000, -0.0000687700000000 ] - [ -0.0001379200000000, -0.0018285100000000, -0.0007952700000000 ] - [ -0.0000812200000000, 0.0002437100000000, 0.0007655900000000 ] - [ 0.0002335500000000, 0.0002405800000000, 0.0011609400000000 ] - [ 0.0001173100000000, 0.0001151700000000, 0.0007404700000000 ] - [ -0.0015530800000000, 0.0002772600000000, -0.0022537100000000 ] - [ 0.0012191300000000, 0.0001382300000000, 0.0002400600000000 ] - [ 0.0058195500000000, 0.0034525300000000, 0.0090716500000000 ] - [ 0.0000002500000000, -0.0004027000000000, 0.0003141500000000 ] - [ 0.0019713700000000, -0.0004409900000000, 0.0038875200000000 ] - [ 0.0003811300000000, 0.0000541700000000, 0.0003966500000000 ] - [ 0.0018059700000000, -0.0015198900000000, -0.0022538600000000 ] - [ 0.0013479900000000, -0.0000589900000000, -0.0001765000000000 ] - [ -0.1050922900000000, 0.0358954600000000, -0.0684695700000000 ] - [ 0.0002762100000000, -0.0005087500000000, 0.0011399600000000 ] - [ 0.0007680700000000, -0.0000929700000000, 0.0015557500000000 ] - [ 0.0000458600000000, -0.0004153800000000, 0.0003853700000000 ] - [ -0.0000108900000000, -0.0004085600000000, 0.0002597200000000 ] - [ 0.0003462400000000, -0.0003980100000000, 0.0004687300000000 ] - [ 0.0006038900000000, -0.0003320200000000, 0.0009811200000000 ] - [ -0.0000309400000000, -0.0005477500000000, 0.0002543900000000 ] - [ 0.0005481400000000, -0.0001059600000000, 0.0009878900000000 ] - [ 0.0005316300000000, -0.0003557100000000, 0.0008135100000000 ] - [ -0.0007827500000000, -0.0004259600000000, -0.0015851600000000 ] - [ -0.0000540900000000, 0.0010013200000000, -0.0009537700000000 ] - [ 0.0003352800000000, 0.0002235800000000, -0.0000602500000000 ] - [ 0.0004193200000000, 0.0003655900000000, 0.0010294400000000 ] - [ 0.0005643300000000, 0.0004331600000000, 0.0012090800000000 ] - [ 0.0006842800000000, 0.0003366300000000, 0.0014656000000000 ] - [ 0.0051723300000000, -0.0012761700000000, 0.0078214800000000 ] - [ 0.0007871200000000, 0.0001967500000000, 0.0002039300000000 ] - [ -0.0020871000000000, 0.0006708300000000, -0.0021929100000000 ] - [ 0.0000290500000000, 0.0003698700000000, 0.0002204000000000 ] - [ 0.0020312000000000, 0.0006212200000000, 0.0042371700000000 ] - [ -0.0005769900000000, 0.0005302800000000, -0.0003174500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0059548500000000, 0.0072387500000000, 0.0059268600000000 ] - [ 0.0046177200000000, 0.0047704400000000, 0.0028018100000000 ] - [ -0.0002838500000000, 0.0002001800000000, 0.0001944400000000 ] - [ -0.0000498400000000, -0.0000628000000000, 0.0002532600000000 ] - [ -0.0003094700000000, -0.0000459500000000, 0.0002340500000000 ] - [ -0.0000114900000000, 0.0002051000000000, -0.0000546200000000 ] - [ -0.0088321100000000, 0.0062557900000000, -0.0067266300000000 ] - [ 0.0001280800000000, -0.0002759200000000, -0.0005218200000000 ] - [ 0.0098501400000000, 0.0079676200000000, -0.0061448300000000 ] - [ -0.0000834700000000, -0.0003954200000000, -0.0000186200000000 ] - [ 0.0002468300000000, -0.0006244500000000, -0.0001430100000000 ] - [ 0.0002013800000000, -0.0003250100000000, 0.0001645800000000 ] - [ 0.0004917100000000, 0.0006227000000000, -0.0005224000000000 ] - [ -0.0007410600000000, 0.0010915400000000, -0.0004067000000000 ] - [ 0.0002149500000000, 0.0044458000000000, -0.0045614800000000 ] - [ -0.0000845900000000, 0.0010231700000000, 0.0005803500000000 ] - [ 0.0005126800000000, 0.0007089300000000, 0.0000181300000000 ] - [ -0.0000592400000000, 0.0005133700000000, -0.0000195300000000 ] - [ 0.0005940200000000, 0.0059017800000000, 0.0113630500000000 ] - [ -0.0017913200000000, 0.0003558700000000, 0.0011682000000000 ] - [ 0.0009393700000000, -0.0002494800000000, 0.0016843200000000 ] - [ -0.0001153500000000, 0.0000191600000000, -0.0000850100000000 ] - [ -0.0004693700000000, -0.0003558000000000, -0.0000328000000000 ] - [ 0.0001851700000000, -0.0001733500000000, 0.0001213400000000 ] - [ -0.0017342800000000, -0.0033979600000000, -0.0006437200000000 ] - [ -0.0003144300000000, -0.0004715300000000, -0.0001303500000000 ] - [ -0.0032904500000000, -0.0359790000000000, -0.0070096600000000 ] - [ -0.0001217700000000, -0.0001526200000000, 0.0000494700000000 ] - [ 0.0007056400000000, 0.0008108800000000, 0.0010947900000000 ] - [ 0.0000856500000000, 0.0000776800000000, 0.0001186200000000 ] - [ -0.0001542900000000, 0.0005205500000000, 0.0001126000000000 ] - [ -0.0001466300000000, 0.0001444800000000, 0.0000215700000000 ] - [ 0.0001493500000000, 0.0001362000000000, 0.0003365800000000 ] - [ -0.0003162700000000, 0.0004939600000000, -0.0005573000000000 ] - [ -0.0004160200000000, 0.0007378900000000, -0.0007253200000000 ] - [ -0.0001520000000000, 0.0003104200000000, -0.0003070200000000 ] - [ 0.0011346900000000, 0.0023505500000000, 0.0016711100000000 ] - [ -0.0002365900000000, 0.0003338700000000, -0.0001219300000000 ] - [ 0.0001570500000000, 0.0003274900000000, 0.0001728100000000 ] - [ 0.0000123200000000, 0.0000366100000000, 0.0001160100000000 ] - [ -0.0000624900000000, -0.0000469000000000, -0.0000136200000000 ] - [ 0.0000954200000000, 0.0001113300000000, 0.0002018100000000 ] - [ 0.0134187600000000, -0.0346107300000000, 0.0200514200000000 ] - [ 0.0002719800000000, -0.0004806400000000, 0.0000778600000000 ] - [ 0.0008087800000000, -0.0026334000000000, 0.0009009800000000 ] - [ 0.0000713200000000, -0.0002034800000000, 0.0002586000000000 ] - [ -0.0003100100000000, 0.0004315800000000, -0.0005137200000000 ] - [ 0.0005694100000000, -0.0007500900000000, 0.0007079200000000 ] - [ 0.0132178200000000, -0.7716024100000000, -0.0687005300000000 ] - [ 0.0001534900000000, -0.0115956300000000, -0.0014239900000000 ] - [ -0.0020696800000000, -0.0115958600000000, -0.0019028200000000 ] - [ -0.0004509400000000, -0.0002552400000000, 0.0000789400000000 ] - [ -0.0006365400000000, -0.0004026800000000, -0.0002662500000000 ] - [ -0.0001071300000000, -0.0004031100000000, 0.0005194500000000 ] - [ -0.0014403100000000, 0.0068150000000000, -0.0053363200000000 ] - [ 0.0000307900000000, 0.0017296100000000, -0.0013981700000000 ] - [ 0.0004062800000000, 0.0025957300000000, -0.0010430000000000 ] - [ 0.0007616900000000, 0.0002468200000000, 0.0007928900000000 ] - [ 0.0008598600000000, 0.0003449400000000, 0.0007993300000000 ] - [ 0.0015061500000000, 0.0010647800000000, 0.0018230900000000 ] - [ 0.0003323000000000, 0.0096020200000000, 0.0003212700000000 ] - [ 0.0004926700000000, 0.0013643900000000, 0.0002509700000000 ] - [ -0.0012553500000000, 0.0102039400000000, -0.0010764000000000 ] - [ 0.0005215000000000, 0.0001641300000000, 0.0001376500000000 ] - [ 0.0005855800000000, -0.0000930800000000, 0.0002123500000000 ] - [ 0.0005937300000000, 0.0000727500000000, 0.0002710100000000 ] - [ 0.0024097700000000, -0.0064164200000000, 0.0039187300000000 ] - [ -0.0008668600000000, -0.0003955400000000, -0.0001350100000000 ] - [ -0.0031921700000000, 0.0013839300000000, -0.0054285900000000 ] - [ -0.0034673900000000, -0.0064168500000000, -0.0024693900000000 ] - [ 0.0016886700000000, 0.0013725800000000, 0.0049145600000000 ] - [ -0.0004246500000000, -0.0003958800000000, -0.0003137500000000 ] - [ -0.0268233200000000, 0.4319819300000000, 0.0089962200000000 ] - [ 0.0040242300000000, 0.0063082000000000, -0.0005168300000000 ] - [ -0.0039223800000000, 0.0062535700000000, 0.0000481100000000 ] - [ 0.0001468800000000, 0.0001601800000000, -0.0003397600000000 ] - [ 0.0002451300000000, 0.0002795100000000, -0.0002557600000000 ] - [ -0.0001006100000000, 0.0002816500000000, -0.0004434500000000 ] - [ 0.0001883500000000, -0.0059764000000000, 0.0006613600000000 ] - [ -0.0003643000000000, -0.0014483500000000, 0.0005450100000000 ] - [ 0.0003586900000000, -0.0019032000000000, 0.0001889900000000 ] - [ -0.0001353000000000, -0.0002527600000000, 0.0000617400000000 ] - [ -0.0000897300000000, -0.0004090300000000, 0.0000841400000000 ] - [ -0.0004746300000000, -0.0010372900000000, 0.0000333000000000 ] - [ 0.0024898600000000, -0.0077954300000000, -0.0010258800000000 ] - [ -0.0000022400000000, -0.0008736700000000, 0.0001326600000000 ] - [ -0.0017183700000000, -0.0089620300000000, -0.0003558600000000 ] - [ -0.0000806300000000, -0.0000481900000000, 0.0002789900000000 ] - [ -0.0001196500000000, 0.0001357500000000, 0.0002198700000000 ] - [ -0.0001628500000000, 0.0000127300000000, 0.0002119700000000 ] - [ -0.0013768300000000, 0.0039521200000000, 0.0001854700000000 ] - [ 0.0003349400000000, 0.0002616400000000, -0.0002662100000000 ] - [ 0.0009530600000000, 0.0000814700000000, 0.0012869900000000 ] - [ 0.0023909900000000, 0.0034939800000000, -0.0018708000000000 ] - [ -0.0008621700000000, 0.0005311000000000, -0.0019806600000000 ] - [ 0.0000974800000000, 0.0002614300000000, -0.0002289100000000 ] - [ 0.0489367200000000, 0.1970351500000000, 0.1207394900000000 ] - [ -0.0011152200000000, 0.0029950800000000, 0.0022726400000000 ] - [ 0.0041056700000000, 0.0044366500000000, 0.0009480800000000 ] - [ 0.0001423200000000, 0.0000037700000000, -0.0003997600000000 ] - [ 0.0004820300000000, -0.0002585700000000, 0.0002586800000000 ] - [ -0.0003752600000000, 0.0001737700000000, -0.0008133100000000 ] - [ 0.0008305400000000, -0.0063263200000000, 0.0042569500000000 ] - [ 0.0007757800000000, -0.0013069400000000, 0.0013931600000000 ] - [ -0.0005927300000000, -0.0015283000000000, 0.0013608300000000 ] - [ -0.0001730900000000, -0.0000370400000000, -0.0001113400000000 ] - [ -0.0002036900000000, 0.0000101900000000, -0.0000211900000000 ] - [ -0.0004826600000000, -0.0000848900000000, -0.0003993600000000 ] - [ -0.0014567900000000, -0.0039226000000000, -0.0013086900000000 ] - [ -0.0001466600000000, -0.0004677600000000, -0.0001129000000000 ] - [ -0.0003354400000000, -0.0039197000000000, -0.0016510300000000 ] - [ 0.0000108700000000, -0.0002757000000000, 0.0004145500000000 ] - [ -0.0000007300000000, -0.0003793800000000, 0.0005117100000000 ] - [ -0.0001429800000000, -0.0001436900000000, 0.0003006000000000 ] - [ 0.0013194100000000, 0.0046473800000000, -0.0052682800000000 ] - [ 0.0005790400000000, 0.0004923300000000, -0.0003089900000000 ] - [ 0.0067782000000000, 0.0149136700000000, 0.0126667900000000 ] - [ 0.0004916200000000, 0.0011896200000000, 0.0001819800000000 ] - [ -0.0012688600000000, 0.0005999000000000, -0.0036427000000000 ] - [ -0.0000402500000000, 0.0001627400000000, -0.0001899100000000 ] - [ -0.0026530500000000, 0.0032501100000000, -0.0001981100000000 ] - [ 0.0004672100000000, 0.0019644100000000, -0.0014868300000000 ] - [ -0.0412821500000000, 0.1547252900000000, -0.0735226000000000 ] - [ -0.0000422800000000, -0.0002289700000000, -0.0004381800000000 ] - [ -0.0008682300000000, -0.0006776500000000, -0.0014575000000000 ] - [ -0.0002927000000000, -0.0003155800000000, -0.0006331600000000 ] - [ -0.0001450700000000, -0.0013629100000000, -0.0010650700000000 ] - [ 0.0002571800000000, -0.0006523800000000, -0.0000710100000000 ] - [ -0.0000172300000000, -0.0005622300000000, -0.0001557100000000 ] - [ 0.0000687800000000, -0.0010487500000000, 0.0009493600000000 ] - [ 0.0007678200000000, -0.0015932200000000, 0.0019004700000000 ] - [ 0.0004033700000000, -0.0006580400000000, 0.0009846500000000 ] - [ 0.0012711300000000, -0.0043780000000000, 0.0019786900000000 ] - [ 0.0006038200000000, -0.0027328000000000, 0.0023929000000000 ] - [ 0.0002876200000000, -0.0001793200000000, 0.0005409500000000 ] - [ 0.0001718700000000, 0.0003418100000000, 0.0002848400000000 ] - [ 0.0002884700000000, 0.0003343700000000, 0.0004240700000000 ] - [ 0.0001350300000000, 0.0003177200000000, 0.0002696300000000 ] - [ -0.0105894500000000, 0.0187650100000000, -0.0156426700000000 ] - [ -0.0004426000000000, 0.0007840500000000, -0.0001971700000000 ] - [ -0.0005140400000000, 0.0040172800000000, 0.0032871900000000 ] - [ -0.0000152800000000, 0.0005781100000000, -0.0005619600000000 ] - [ 0.0012365000000000, 0.0006265100000000, 0.0021727100000000 ] - [ -0.0012816500000000, 0.0010898300000000, -0.0021727000000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0056299800000000, -0.0076746900000000, -0.0055707200000000 ] - [ -0.0048656300000000, -0.0052571400000000, -0.0025263600000000 ] - [ 0.0001036300000000, -0.0006625900000000, 0.0001059600000000 ] - [ -0.0002308800000000, -0.0003656700000000, 0.0000545400000000 ] - [ 0.0000385500000000, -0.0004231600000000, 0.0000199300000000 ] - [ -0.0001700300000000, -0.0006614900000000, 0.0003597800000000 ] - [ 0.0091432600000000, -0.0067940700000000, 0.0064787400000000 ] - [ 0.0001439000000000, -0.0001820100000000, 0.0002679900000000 ] - [ -0.0096982700000000, -0.0084654200000000, 0.0059160100000000 ] - [ 0.0002645000000000, -0.0000528900000000, -0.0002838300000000 ] - [ 0.0000237800000000, 0.0001621300000000, -0.0001108000000000 ] - [ 0.0000803700000000, -0.0000950100000000, -0.0004705200000000 ] - [ -0.0003109200000000, -0.0001811500000000, 0.0002199900000000 ] - [ 0.0010185900000000, -0.0006396100000000, 0.0001587100000000 ] - [ 0.0000543200000000, -0.0040557100000000, 0.0042398800000000 ] - [ 0.0002644400000000, -0.0005803400000000, -0.0008879300000000 ] - [ -0.0002417100000000, -0.0002466100000000, -0.0002728100000000 ] - [ 0.0003415300000000, -0.0000942300000000, -0.0002873100000000 ] - [ -0.0008521300000000, -0.0055522500000000, -0.0112013300000000 ] - [ 0.0015263400000000, 0.0001169500000000, -0.0009183200000000 ] - [ -0.0011350700000000, 0.0007081100000000, -0.0013863500000000 ] - [ -0.0001653300000000, 0.0004082600000000, 0.0003911900000000 ] - [ 0.0001966200000000, 0.0008249800000000, 0.0002907300000000 ] - [ -0.0003652000000000, 0.0006267200000000, 0.0001820900000000 ] - [ 0.0018619600000000, 0.0036033600000000, 0.0008429300000000 ] - [ 0.0004651500000000, 0.0006683100000000, 0.0003138600000000 ] - [ 0.0033903400000000, 0.0361991100000000, 0.0071320600000000 ] - [ 0.0002644900000000, 0.0003382100000000, 0.0001190500000000 ] - [ -0.0005590600000000, -0.0006201100000000, -0.0009188200000000 ] - [ 0.0000638800000000, 0.0001097100000000, 0.0000549900000000 ] - [ 0.0000031500000000, -0.0003317700000000, -0.0002946500000000 ] - [ 0.0000018700000000, 0.0000427900000000, -0.0001962100000000 ] - [ -0.0003005700000000, 0.0000565200000000, -0.0005205300000000 ] - [ 0.0001678700000000, -0.0003090100000000, 0.0003866500000000 ] - [ 0.0002763300000000, -0.0005582400000000, 0.0005615700000000 ] - [ 0.0000082200000000, -0.0001248900000000, 0.0001365600000000 ] - [ -0.0012843600000000, -0.0025439500000000, -0.0018447600000000 ] - [ 0.0000967600000000, -0.0005200500000000, -0.0000451900000000 ] - [ -0.0003056500000000, -0.0005183400000000, -0.0003479500000000 ] - [ -0.0001616700000000, -0.0002251300000000, -0.0002913200000000 ] - [ -0.0000835000000000, -0.0001416600000000, -0.0001609600000000 ] - [ -0.0002414000000000, -0.0003008500000000, -0.0003766800000000 ] - [ -0.0132718100000000, 0.0345272700000000, -0.0198537200000000 ] - [ -0.0001298200000000, 0.0002995300000000, 0.0000882500000000 ] - [ -0.0006458300000000, 0.0024579500000000, -0.0007482200000000 ] - [ 0.0000738600000000, 0.0000144400000000, -0.0000837900000000 ] - [ 0.0004543500000000, -0.0006155300000000, 0.0006874000000000 ] - [ -0.0004194400000000, 0.0005604000000000, -0.0005294200000000 ] - [ -0.0181479400000000, 0.8029561500000000, 0.0658898800000000 ] - [ -0.0013031200000000, 0.0114581300000000, 0.0009747000000000 ] - [ 0.0009912700000000, 0.0114579800000000, 0.0014790800000000 ] - [ -0.0006580100000000, 0.0000528000000000, -0.0005117900000000 ] - [ -0.0004773100000000, 0.0001993400000000, -0.0001697600000000 ] - [ -0.0010089900000000, 0.0001991800000000, -0.0009561900000000 ] - [ 0.0025789900000000, -0.0070500500000000, 0.0058256900000000 ] - [ 0.0010868500000000, -0.0019484900000000, 0.0018453300000000 ] - [ 0.0007027900000000, -0.0028113000000000, 0.0014846500000000 ] - [ 0.0003549200000000, -0.0004557400000000, -0.0003568000000000 ] - [ 0.0002469400000000, -0.0005590300000000, -0.0003745300000000 ] - [ -0.0004045100000000, -0.0012802000000000, -0.0014040300000000 ] - [ 0.0007883900000000, -0.0094412100000000, 0.0001137400000000 ] - [ 0.0006177500000000, -0.0011625500000000, 0.0001791500000000 ] - [ 0.0023559800000000, -0.0100655700000000, 0.0014734900000000 ] - [ 0.0005961400000000, 0.0000424700000000, 0.0003037900000000 ] - [ 0.0005277500000000, 0.0003010500000000, 0.0002245700000000 ] - [ 0.0005158900000000, 0.0001317700000000, 0.0001632700000000 ] - [ -0.0035218200000000, 0.0066488900000000, -0.0043430800000000 ] - [ -0.0002435000000000, 0.0006031700000000, -0.0002938500000000 ] - [ 0.0020774400000000, -0.0010894300000000, 0.0049739700000000 ] - [ 0.0023563200000000, 0.0066487000000000, 0.0020158900000000 ] - [ -0.0027805000000000, -0.0011008400000000, -0.0053261800000000 ] - [ -0.0006934700000000, 0.0006030300000000, -0.0001307900000000 ] - [ 0.0302157000000000, -0.4695320700000000, -0.0106123800000000 ] - [ -0.0038079100000000, -0.0063059200000000, 0.0000645900000000 ] - [ 0.0041850100000000, -0.0062488500000000, -0.0005017600000000 ] - [ 0.0000908100000000, -0.0001014100000000, -0.0001082100000000 ] - [ -0.0000117400000000, -0.0002374200000000, -0.0002001000000000 ] - [ 0.0003456200000000, -0.0002324100000000, -0.0000085600000000 ] - [ -0.0004375800000000, 0.0060518200000000, -0.0002257000000000 ] - [ 0.0001308500000000, 0.0015022100000000, -0.0000911300000000 ] - [ -0.0005957300000000, 0.0019712200000000, 0.0002573800000000 ] - [ -0.0001103900000000, 0.0003060100000000, 0.0003910900000000 ] - [ -0.0001409200000000, 0.0004593100000000, 0.0003743700000000 ] - [ 0.0002389100000000, 0.0011074200000000, 0.0004177200000000 ] - [ -0.0027527700000000, 0.0077864600000000, 0.0014860300000000 ] - [ -0.0002300200000000, 0.0008304800000000, 0.0003246900000000 ] - [ 0.0014997600000000, 0.0089633800000000, 0.0008186000000000 ] - [ -0.0001644800000000, -0.0000029900000000, 0.0001721800000000 ] - [ -0.0001128100000000, -0.0001816900000000, 0.0002356100000000 ] - [ -0.0000757500000000, -0.0000739100000000, 0.0002368600000000 ] - [ 0.0016235800000000, -0.0040249000000000, -0.0006423500000000 ] - [ -0.0001035300000000, -0.0003075900000000, -0.0001924500000000 ] - [ -0.0007213900000000, -0.0001703500000000, -0.0017621300000000 ] - [ -0.0021650100000000, -0.0035626300000000, 0.0014370900000000 ] - [ 0.0011002900000000, -0.0006065200000000, 0.0015356900000000 ] - [ 0.0001458600000000, -0.0003126200000000, -0.0002200400000000 ] - [ -0.0454555400000000, -0.1929955800000000, -0.1133185400000000 ] - [ 0.0014312700000000, -0.0030184300000000, -0.0026784900000000 ] - [ -0.0038830100000000, -0.0044595000000000, -0.0013621300000000 ] - [ 0.0001360900000000, -0.0000356100000000, -0.0000199600000000 ] - [ -0.0001741000000000, 0.0002463600000000, -0.0006623400000000 ] - [ 0.0006317800000000, -0.0001840500000000, 0.0003979500000000 ] - [ -0.0010996800000000, 0.0063569900000000, -0.0038865800000000 ] - [ -0.0010932200000000, 0.0013028700000000, -0.0009989000000000 ] - [ 0.0003187900000000, 0.0015037600000000, -0.0009490800000000 ] - [ -0.0000847000000000, 0.0000275100000000, 0.0005257600000000 ] - [ -0.0001011900000000, -0.0000197900000000, 0.0004304600000000 ] - [ 0.0002063300000000, 0.0000541300000000, 0.0008241800000000 ] - [ 0.0012006600000000, 0.0039454000000000, 0.0017356700000000 ] - [ -0.0001603600000000, 0.0004810800000000, 0.0005206700000000 ] - [ 0.0000687700000000, 0.0039840100000000, 0.0021006900000000 ] - [ -0.0002683500000000, 0.0002864800000000, -0.0000050900000000 ] - [ -0.0003084700000000, 0.0003926200000000, -0.0001125800000000 ] - [ -0.0001367900000000, 0.0001760700000000, 0.0001165700000000 ] - [ -0.0010407900000000, -0.0046465800000000, 0.0048558200000000 ] - [ -0.0002745600000000, -0.0004871100000000, -0.0001035700000000 ] - [ -0.0064857800000000, -0.0149603400000000, -0.0130148900000000 ] - [ -0.0002027000000000, -0.0011695800000000, -0.0005897500000000 ] - [ 0.0015701500000000, -0.0006025100000000, 0.0032332700000000 ] - [ 0.0002974300000000, -0.0001551900000000, -0.0002195700000000 ] - [ 0.0021849800000000, -0.0040707500000000, -0.0006752300000000 ] - [ -0.0009438700000000, -0.0028008600000000, 0.0006296000000000 ] - [ 0.0383133100000000, -0.1533457100000000, 0.0682991900000000 ] - [ -0.0004623400000000, -0.0005826800000000, -0.0004296200000000 ] - [ 0.0003993700000000, -0.0001456100000000, 0.0006016900000000 ] - [ -0.0001595300000000, -0.0004884300000000, -0.0002269600000000 ] - [ 0.0006001400000000, 0.0005646900000000, 0.0019428300000000 ] - [ 0.0002100000000000, -0.0001680300000000, 0.0009286600000000 ] - [ 0.0005308500000000, -0.0002491700000000, 0.0010395700000000 ] - [ 0.0003840200000000, 0.0002483900000000, -0.0000917300000000 ] - [ -0.0003094900000000, 0.0007747700000000, -0.0010665100000000 ] - [ 0.0001004900000000, -0.0001521000000000, -0.0001176400000000 ] - [ -0.0008081500000000, 0.0051798900000000, -0.0011086800000000 ] - [ -0.0001455700000000, 0.0035619700000000, -0.0015469700000000 ] - [ 0.0002220600000000, 0.0009937800000000, 0.0003329200000000 ] - [ 0.0002791300000000, 0.0004623000000000, 0.0005768700000000 ] - [ 0.0001797700000000, 0.0004874000000000, 0.0004303600000000 ] - [ 0.0003719600000000, 0.0004952000000000, 0.0006020700000000 ] - [ 0.0100714100000000, -0.0180525500000000, 0.0147348200000000 ] - [ -0.0000238500000000, 0.0000338200000000, -0.0006512900000000 ] - [ 0.0000598200000000, -0.0032334800000000, -0.0041422400000000 ] - [ -0.0004925500000000, 0.0002325700000000, -0.0003136800000000 ] - [ -0.0017012000000000, 0.0001773500000000, -0.0030203100000000 ] - [ 0.0008228700000000, -0.0002922300000000, 0.0013050900000000 ]- atom: 49 displacement: [ -0.0037952304666203, 0.0000000000000000, 0.0092518228314877 ] forces: - [ -0.0057918200000000, 0.0055693800000000, -0.0008343600000000 ] - [ 0.0044345700000000, 0.0043168900000000, 0.0006439700000000 ] - [ 0.0002680600000000, -0.0000825600000000, -0.0006293100000000 ] - [ -0.0003741900000000, -0.0005236600000000, 0.0012245200000000 ] - [ -0.0000210700000000, -0.0003486300000000, 0.0008700200000000 ] - [ -0.0000022500000000, -0.0007076200000000, 0.0016209100000000 ] - [ 0.0001265300000000, -0.0020491400000000, -0.0021164600000000 ] - [ 0.0004625600000000, -0.0002796500000000, -0.0009952300000000 ] - [ -0.0003380700000000, -0.0021011300000000, -0.0021777000000000 ] - [ 0.0001494800000000, -0.0001397700000000, 0.0006246400000000 ] - [ 0.0001945700000000, 0.0001697800000000, 0.0012007200000000 ] - [ -0.0000273500000000, 0.0000393900000000, 0.0008027000000000 ] - [ -0.0005842600000000, -0.0004178300000000, -0.0005920700000000 ] - [ 0.0019460700000000, -0.0009213500000000, 0.0001059200000000 ] - [ -0.0009919200000000, -0.0050337100000000, 0.0036074200000000 ] - [ -0.0001721800000000, 0.0011633000000000, 0.0015234800000000 ] - [ 0.0008218200000000, 0.0008104000000000, 0.0006979400000000 ] - [ -0.0003347700000000, 0.0006771400000000, 0.0004969300000000 ] - [ -0.0012171300000000, 0.0048883200000000, 0.0006898500000000 ] - [ -0.0005109700000000, 0.0007693800000000, -0.0005280800000000 ] - [ 0.0011477500000000, 0.0013566400000000, -0.0005000300000000 ] - [ -0.0004613100000000, -0.0002112400000000, 0.0008734100000000 ] - [ -0.0004134300000000, -0.0005930900000000, 0.0015042900000000 ] - [ 0.0004655100000000, -0.0002696900000000, 0.0009456800000000 ] - [ -0.0040454400000000, -0.0011685100000000, -0.0014883600000000 ] - [ 0.0004563800000000, -0.0000544500000000, -0.0002063200000000 ] - [ 0.0164063900000000, 0.0060739500000000, 0.0338554000000000 ] - [ 0.0008119100000000, 0.0012973900000000, 0.0021456800000000 ] - [ 0.0017203000000000, 0.0022746300000000, 0.0032009800000000 ] - [ 0.0003762700000000, 0.0006806300000000, 0.0011069000000000 ] - [ -0.0003915700000000, 0.0002275100000000, -0.0004542900000000 ] - [ -0.0001228600000000, 0.0001669300000000, -0.0002725400000000 ] - [ 0.0002585200000000, -0.0002499100000000, 0.0003979900000000 ] - [ -0.0000759100000000, 0.0000347300000000, 0.0002155900000000 ] - [ 0.0003997300000000, -0.0002657100000000, 0.0008208600000000 ] - [ 0.0002184400000000, -0.0001904800000000, 0.0004628600000000 ] - [ -0.0012402300000000, -0.0007934100000000, -0.0021794900000000 ] - [ -0.0002762900000000, -0.0004581100000000, -0.0009212600000000 ] - [ -0.0004327700000000, -0.0006441200000000, -0.0011202400000000 ] - [ 0.0002128900000000, 0.0003623300000000, 0.0007091300000000 ] - [ 0.0004282700000000, 0.0005689100000000, 0.0010194800000000 ] - [ 0.0004801400000000, 0.0006256000000000, 0.0011270800000000 ] - [ 0.0156468700000000, -0.0138529700000000, 0.0291426300000000 ] - [ 0.0004479200000000, 0.0000178200000000, -0.0003580300000000 ] - [ -0.0036095100000000, 0.0012975800000000, -0.0017846300000000 ] - [ 0.0003859600000000, -0.0007024500000000, 0.0011756100000000 ] - [ 0.0016481000000000, -0.0023119100000000, 0.0030139200000000 ] - [ 0.0007980000000000, -0.0013587500000000, 0.0022462600000000 ] - [ -0.0432179500000000, -0.0744441900000000, -0.4817619400000000 ] - [ -0.0020915200000000, -0.0011022100000000, -0.0081035700000000 ] - [ -0.0011806200000000, -0.0015079100000000, -0.0077855700000000 ] - [ 0.0002939200000000, 0.0001361700000000, 0.0021267000000000 ] - [ 0.0010750900000000, 0.0004118400000000, 0.0037272800000000 ] - [ 0.0011757100000000, -0.0001147900000000, 0.0037628500000000 ] - [ 0.0000689100000000, 0.0043066600000000, -0.0018888100000000 ] - [ 0.0006030900000000, 0.0012009100000000, -0.0001671300000000 ] - [ 0.0001239400000000, 0.0010195300000000, -0.0009376000000000 ] - [ 0.0007811500000000, -0.0005526200000000, 0.0008965100000000 ] - [ 0.0012294900000000, -0.0005247600000000, 0.0017119300000000 ] - [ 0.0008651900000000, -0.0012274500000000, 0.0012634900000000 ] - [ -0.0012889500000000, 0.0002859500000000, -0.0035672700000000 ] - [ 0.0002273500000000, 0.0001563400000000, -0.0010048200000000 ] - [ -0.0009813200000000, -0.0003901000000000, -0.0033360800000000 ] - [ 0.0012499900000000, 0.0000344500000000, 0.0018810400000000 ] - [ 0.0015277500000000, 0.0000806400000000, 0.0023431900000000 ] - [ 0.0011313300000000, 0.0001315700000000, 0.0016275800000000 ] - [ -0.0002395500000000, 0.0010714300000000, 0.0040910200000000 ] - [ -0.0001739100000000, 0.0002348300000000, 0.0004127200000000 ] - [ 0.0040434300000000, -0.0037676800000000, 0.0099255200000000 ] - [ -0.0008302800000000, -0.0026130300000000, 0.0038872300000000 ] - [ 0.0048625100000000, 0.0039467200000000, 0.0102815700000000 ] - [ -0.0002635600000000, -0.0000926100000000, 0.0003674000000000 ] - [ -0.0259874400000000, 0.0170697400000000, 0.0865278500000000 ] - [ 0.0004903000000000, -0.0000143100000000, 0.0017396300000000 ] - [ -0.0004067100000000, 0.0011343400000000, 0.0020012300000000 ] - [ 0.0001411800000000, -0.0000661100000000, -0.0011172800000000 ] - [ -0.0001335200000000, -0.0001645400000000, -0.0016640100000000 ] - [ -0.0001879900000000, 0.0000687200000000, -0.0015977500000000 ] - [ 0.0003261900000000, -0.0041690800000000, -0.0001822900000000 ] - [ -0.0007049400000000, -0.0010552600000000, 0.0003247500000000 ] - [ 0.0003163800000000, -0.0008550700000000, 0.0004904600000000 ] - [ -0.0000340000000000, 0.0003959100000000, -0.0000906100000000 ] - [ -0.0004492400000000, 0.0004051900000000, -0.0003319400000000 ] - [ -0.0000054400000000, 0.0009575800000000, -0.0004942600000000 ] - [ 0.0002052900000000, -0.0001476400000000, 0.0014152100000000 ] - [ -0.0002343200000000, -0.0001297900000000, 0.0007824800000000 ] - [ 0.0002029200000000, -0.0003434300000000, 0.0013128100000000 ] - [ -0.0001441000000000, 0.0000790000000000, -0.0004565500000000 ] - [ -0.0003093100000000, 0.0000824400000000, -0.0006428400000000 ] - [ -0.0001946600000000, 0.0000048400000000, -0.0003481300000000 ] - [ 0.0013932600000000, -0.0003265000000000, -0.0020545000000000 ] - [ -0.0001672400000000, -0.0000741100000000, -0.0004199200000000 ] - [ -0.0010852700000000, 0.0017454200000000, -0.0034922900000000 ] - [ 0.0016888600000000, 0.0009644300000000, -0.0025612600000000 ] - [ -0.0015307300000000, -0.0018453900000000, -0.0034038500000000 ] - [ -0.0000190700000000, 0.0000654000000000, -0.0003671600000000 ] - [ 0.0305739200000000, 0.1026275500000000, 0.2059244300000000 ] - [ -0.0007475700000000, 0.0017194100000000, 0.0039984100000000 ] - [ 0.0024810000000000, 0.0007769000000000, 0.0049814300000000 ] - [ -0.0002576800000000, -0.0002874500000000, -0.0019341500000000 ] - [ -0.0013870900000000, 0.0000808300000000, -0.0035848900000000 ] - [ -0.0008078100000000, -0.0002836200000000, -0.0032736800000000 ] - [ 0.0010274500000000, -0.0014961600000000, 0.0032108300000000 ] - [ -0.0001287400000000, -0.0001699000000000, 0.0011236600000000 ] - [ 0.0001640600000000, -0.0003135600000000, 0.0015548300000000 ] - [ -0.0002957000000000, 0.0000259100000000, -0.0006528800000000 ] - [ -0.0006978300000000, 0.0001299800000000, -0.0012102300000000 ] - [ -0.0005579300000000, 0.0001826200000000, -0.0011586600000000 ] - [ 0.0011840000000000, 0.0012491000000000, 0.0020005200000000 ] - [ -0.0000893500000000, 0.0003139700000000, 0.0009167300000000 ] - [ -0.0000763200000000, 0.0019266100000000, 0.0013897000000000 ] - [ -0.0002959200000000, -0.0004537300000000, -0.0008622100000000 ] - [ -0.0007749100000000, -0.0004632900000000, -0.0012979500000000 ] - [ -0.0005271900000000, -0.0002413200000000, -0.0007414100000000 ] - [ 0.0024767200000000, 0.0002739100000000, -0.0015031000000000 ] - [ -0.0004207100000000, 0.0001572600000000, -0.0001647100000000 ] - [ -0.0064475000000000, -0.0035954900000000, -0.0136134000000000 ] - [ -0.0004132800000000, 0.0008537400000000, -0.0027274100000000 ] - [ -0.0031315800000000, 0.0008403600000000, -0.0070650500000000 ] - [ 0.0000102600000000, -0.0000686300000000, -0.0010884000000000 ] - [ 0.0019321200000000, -0.0003264000000000, 0.0049483000000000 ] - [ -0.0005135100000000, -0.0013471600000000, 0.0031339200000000 ] - [ 0.0209022400000000, -0.0449036400000000, 0.1438771600000000 ] - [ -0.0013743200000000, -0.0004139200000000, -0.0034999400000000 ] - [ -0.0020604900000000, -0.0009262000000000, -0.0040360400000000 ] - [ -0.0007330400000000, -0.0003280400000000, -0.0021233500000000 ] - [ 0.0003454800000000, -0.0006112300000000, 0.0002397500000000 ] - [ 0.0001506000000000, -0.0005351700000000, 0.0002720500000000 ] - [ -0.0003456200000000, -0.0005578000000000, -0.0004736900000000 ] - [ 0.0004632000000000, -0.0003048500000000, 0.0005928800000000 ] - [ -0.0001634900000000, -0.0010165700000000, -0.0000618900000000 ] - [ -0.0000085200000000, -0.0005110400000000, 0.0000673800000000 ] - [ 0.0018295000000000, 0.0005098500000000, 0.0040566300000000 ] - [ 0.0008028300000000, -0.0005479600000000, 0.0030694100000000 ] - [ 0.0004683600000000, 0.0004926400000000, 0.0017053900000000 ] - [ -0.0001600800000000, 0.0004572300000000, -0.0007517800000000 ] - [ -0.0003602100000000, 0.0004054400000000, -0.0010143400000000 ] - [ -0.0005120100000000, 0.0004947500000000, -0.0013356700000000 ] - [ -0.0090822300000000, 0.0065126800000000, -0.0163393700000000 ] - [ -0.0008131100000000, 0.0003221900000000, -0.0002797600000000 ] - [ 0.0020278000000000, 0.0000069600000000, -0.0009332200000000 ] - [ -0.0003806400000000, 0.0005442500000000, -0.0014565200000000 ] - [ -0.0036804700000000, 0.0003711800000000, -0.0069636800000000 ] - [ -0.0010339300000000, 0.0003076000000000, -0.0029534900000000 ]- atom: 49 displacement: [ 0.0037952304666203, 0.0000000000000000, -0.0092518228314877 ] forces: - [ 0.0054726100000000, -0.0059266300000000, 0.0011226500000000 ] - [ -0.0046889300000000, -0.0047703300000000, -0.0003885700000000 ] - [ -0.0004514000000000, -0.0003665000000000, 0.0009286600000000 ] - [ 0.0000924100000000, 0.0001034700000000, -0.0009160900000000 ] - [ -0.0002480100000000, -0.0001151600000000, -0.0006111900000000 ] - [ -0.0001803200000000, 0.0002569800000000, -0.0013105200000000 ] - [ 0.0000499200000000, 0.0016030500000000, 0.0017879100000000 ] - [ -0.0001910300000000, -0.0001856400000000, 0.0007329600000000 ] - [ 0.0006185000000000, 0.0016674100000000, 0.0018321000000000 ] - [ 0.0000332900000000, -0.0003125700000000, -0.0009262300000000 ] - [ 0.0000758100000000, -0.0006358800000000, -0.0014514600000000 ] - [ 0.0003076900000000, -0.0004654600000000, -0.0011099300000000 ] - [ 0.0007689400000000, 0.0008757800000000, 0.0002901400000000 ] - [ -0.0016610500000000, 0.0013827800000000, -0.0003508700000000 ] - [ 0.0012461100000000, 0.0054811600000000, -0.0039158000000000 ] - [ 0.0003577100000000, -0.0007024500000000, -0.0018244500000000 ] - [ -0.0005498300000000, -0.0003404500000000, -0.0009539300000000 ] - [ 0.0006106600000000, -0.0002467800000000, -0.0008036700000000 ] - [ 0.0009189000000000, -0.0045022800000000, -0.0003811400000000 ] - [ 0.0002426300000000, -0.0003101400000000, 0.0007888800000000 ] - [ -0.0013216800000000, -0.0009058200000000, 0.0008105000000000 ] - [ 0.0001773200000000, 0.0006283200000000, -0.0005620300000000 ] - [ 0.0001436700000000, 0.0010495100000000, -0.0012436100000000 ] - [ -0.0006448800000000, 0.0007157600000000, -0.0006394900000000 ] - [ 0.0042141000000000, 0.0013591700000000, 0.0016702900000000 ] - [ -0.0003059500000000, 0.0002459400000000, 0.0003880700000000 ] - [ -0.0168394200000000, -0.0058166400000000, -0.0338847800000000 ] - [ -0.0006612800000000, -0.0011020300000000, -0.0019607200000000 ] - [ -0.0015699700000000, -0.0020797200000000, -0.0030195300000000 ] - [ -0.0002288000000000, -0.0004930600000000, -0.0009325200000000 ] - [ 0.0002444200000000, -0.0000428300000000, 0.0002865000000000 ] - [ -0.0000199000000000, 0.0000180100000000, 0.0001041400000000 ] - [ -0.0003975800000000, 0.0004313800000000, -0.0005592000000000 ] - [ -0.0000739500000000, 0.0001556000000000, -0.0003929200000000 ] - [ -0.0005462500000000, 0.0004566400000000, -0.0009982000000000 ] - [ -0.0003652700000000, 0.0003813100000000, -0.0006396300000000 ] - [ 0.0010890800000000, 0.0006049400000000, 0.0019971300000000 ] - [ 0.0001279200000000, 0.0002676600000000, 0.0007433400000000 ] - [ 0.0002870800000000, 0.0004541700000000, 0.0009432300000000 ] - [ -0.0003613000000000, -0.0005498400000000, -0.0008821600000000 ] - [ -0.0005712000000000, -0.0007544100000000, -0.0011890200000000 ] - [ -0.0006245900000000, -0.0008131800000000, -0.0012984100000000 ] - [ -0.0151656800000000, 0.0135442600000000, -0.0287640000000000 ] - [ -0.0003049600000000, -0.0002022100000000, 0.0005237100000000 ] - [ 0.0037283100000000, -0.0014757000000000, 0.0019393800000000 ] - [ -0.0002382800000000, 0.0005117800000000, -0.0009997800000000 ] - [ -0.0015015900000000, 0.0021224900000000, -0.0028351900000000 ] - [ -0.0006525100000000, 0.0011746200000000, -0.0020767200000000 ] - [ 0.0418503200000000, 0.0618987200000000, 0.4794293700000000 ] - [ 0.0009847100000000, 0.0008607900000000, 0.0077170400000000 ] - [ 0.0000732400000000, 0.0012605600000000, 0.0072870300000000 ] - [ -0.0014013800000000, -0.0003354600000000, -0.0025543400000000 ] - [ -0.0021805500000000, -0.0006148400000000, -0.0041463300000000 ] - [ -0.0022915300000000, -0.0000899200000000, -0.0041978000000000 ] - [ 0.0010372100000000, -0.0044980600000000, 0.0023051700000000 ] - [ 0.0005041800000000, -0.0014030800000000, 0.0005891800000000 ] - [ 0.0009813400000000, -0.0012106300000000, 0.0013575900000000 ] - [ 0.0003390700000000, 0.0003526500000000, -0.0004511500000000 ] - [ -0.0001127000000000, 0.0003238100000000, -0.0012688500000000 ] - [ 0.0002465900000000, 0.0010284000000000, -0.0008240000000000 ] - [ 0.0024083800000000, -0.0000744500000000, 0.0040126000000000 ] - [ 0.0008860900000000, 0.0000467900000000, 0.0014399000000000 ] - [ 0.0020865900000000, 0.0006025200000000, 0.0037659400000000 ] - [ -0.0001312300000000, 0.0001640200000000, -0.0014403900000000 ] - [ -0.0004162200000000, 0.0001178200000000, -0.0019115100000000 ] - [ -0.0000232600000000, 0.0000655900000000, -0.0011970400000000 ] - [ -0.0008814600000000, -0.0008636600000000, -0.0045629300000000 ] - [ -0.0009300700000000, -0.0000322500000000, -0.0008348900000000 ] - [ -0.0051539100000000, 0.0040139300000000, -0.0103555900000000 ] - [ -0.0002773500000000, 0.0027833100000000, -0.0042762300000000 ] - [ -0.0059395100000000, -0.0036730100000000, -0.0106570700000000 ] - [ -0.0008594400000000, 0.0002944500000000, -0.0008141400000000 ] - [ 0.0259306600000000, -0.0146397500000000, -0.0867259600000000 ] - [ -0.0002498700000000, 0.0000763400000000, -0.0022078200000000 ] - [ 0.0006321800000000, -0.0010656300000000, -0.0024416600000000 ] - [ 0.0000963400000000, 0.0001225200000000, 0.0006657700000000 ] - [ 0.0003650200000000, 0.0002052200000000, 0.0012015700000000 ] - [ 0.0004329100000000, -0.0000202900000000, 0.0011439100000000 ] - [ -0.0005755700000000, 0.0042015100000000, 0.0006464600000000 ] - [ 0.0004758500000000, 0.0010930000000000, 0.0001372800000000 ] - [ -0.0005517200000000, 0.0009018600000000, -0.0000370600000000 ] - [ -0.0002122700000000, -0.0003525600000000, 0.0005411000000000 ] - [ 0.0002160000000000, -0.0003654300000000, 0.0007853000000000 ] - [ -0.0002300900000000, -0.0009022900000000, 0.0009403100000000 ] - [ -0.0004429600000000, 0.0000937000000000, -0.0009712700000000 ] - [ 0.0000008500000000, 0.0000890600000000, -0.0003258700000000 ] - [ -0.0004485200000000, 0.0002690200000000, -0.0008676800000000 ] - [ -0.0001016500000000, -0.0001210500000000, 0.0009085200000000 ] - [ 0.0000773300000000, -0.0001179200000000, 0.0011009200000000 ] - [ -0.0000429800000000, -0.0000574300000000, 0.0007989300000000 ] - [ -0.0011591900000000, 0.0002622800000000, 0.0016158000000000 ] - [ 0.0003947400000000, 0.0000311100000000, -0.0000408100000000 ] - [ 0.0013319500000000, -0.0018091300000000, 0.0030109500000000 ] - [ -0.0014321100000000, -0.0010100400000000, 0.0020837000000000 ] - [ 0.0017545600000000, 0.0017769700000000, 0.0029553200000000 ] - [ 0.0002666800000000, -0.0001106300000000, -0.0000837900000000 ] - [ -0.0255236000000000, -0.0962085600000000, -0.2000278000000000 ] - [ 0.0010565100000000, -0.0017306600000000, -0.0044098700000000 ] - [ -0.0021986900000000, -0.0007701800000000, -0.0053444000000000 ] - [ 0.0005345800000000, 0.0002572900000000, 0.0015155900000000 ] - [ 0.0016914200000000, -0.0000910700000000, 0.0031734800000000 ] - [ 0.0010684100000000, 0.0002731200000000, 0.0028644500000000 ] - [ -0.0012819600000000, 0.0014784100000000, -0.0027803000000000 ] - [ -0.0001751700000000, 0.0001606900000000, -0.0007140400000000 ] - [ -0.0004433100000000, 0.0002799600000000, -0.0011284300000000 ] - [ 0.0000353900000000, -0.0000325900000000, 0.0010602400000000 ] - [ 0.0003872400000000, -0.0001364000000000, 0.0016066700000000 ] - [ 0.0002774500000000, -0.0002109800000000, 0.0015722400000000 ] - [ -0.0014442400000000, -0.0012472500000000, -0.0016012400000000 ] - [ -0.0002209600000000, -0.0003056900000000, -0.0005178000000000 ] - [ -0.0002064500000000, -0.0018959900000000, -0.0009860500000000 ] - [ 0.0000373600000000, 0.0004588700000000, 0.0012721000000000 ] - [ 0.0004678300000000, 0.0004700300000000, 0.0017031600000000 ] - [ 0.0002486700000000, 0.0002698900000000, 0.0011601200000000 ] - [ -0.0022103000000000, -0.0002474600000000, 0.0011024100000000 ] - [ 0.0007226600000000, -0.0001469500000000, -0.0002476900000000 ] - [ 0.0067480600000000, 0.0035701600000000, 0.0131893400000000 ] - [ 0.0006850200000000, -0.0008134000000000, 0.0022928400000000 ] - [ 0.0034293200000000, -0.0008407500000000, 0.0066354000000000 ] - [ 0.0002530200000000, 0.0000742900000000, 0.0006828500000000 ] - [ -0.0024596300000000, -0.0004822400000000, -0.0058565600000000 ] - [ 0.0000413100000000, 0.0005164300000000, -0.0039726400000000 ] - [ -0.0252434600000000, 0.0475997400000000, -0.1492712000000000 ] - [ 0.0008626600000000, -0.0004071100000000, 0.0026169800000000 ] - [ 0.0015903400000000, 0.0000943500000000, 0.0031786800000000 ] - [ 0.0002837200000000, -0.0004822300000000, 0.0012617300000000 ] - [ 0.0001025100000000, -0.0001986700000000, 0.0006118300000000 ] - [ 0.0003120500000000, -0.0002928100000000, 0.0005736000000000 ] - [ 0.0008450000000000, -0.0002597300000000, 0.0013316400000000 ] - [ -0.0000112900000000, -0.0005042900000000, 0.0002727600000000 ] - [ 0.0006363700000000, 0.0001902300000000, 0.0009260500000000 ] - [ 0.0005169800000000, -0.0003055500000000, 0.0008107800000000 ] - [ -0.0013768200000000, 0.0003016100000000, -0.0031879600000000 ] - [ -0.0003338700000000, 0.0013785900000000, -0.0022189300000000 ] - [ 0.0000351100000000, 0.0003277000000000, -0.0008345100000000 ] - [ 0.0006100800000000, 0.0003529400000000, 0.0016111300000000 ] - [ 0.0008250000000000, 0.0004218400000000, 0.0018629600000000 ] - [ 0.0010177500000000, 0.0003241000000000, 0.0022047600000000 ] - [ 0.0084792500000000, -0.0056724300000000, 0.0153953400000000 ] - [ 0.0003478000000000, 0.0005069500000000, -0.0005644900000000 ] - [ -0.0024580800000000, 0.0008006100000000, 0.0000678000000000 ] - [ -0.0001304300000000, 0.0002743600000000, 0.0005805500000000 ] - [ 0.0032063100000000, 0.0004494400000000, 0.0061066500000000 ] - [ 0.0005943100000000, 0.0005064400000000, 0.0021064300000000 ]- atom: 73 displacement: [ 0.0099999690333460, 0.0000000000000000, -0.0000248863842565 ] forces: - [ 0.0006094200000000, -0.0002567200000000, 0.0005826700000000 ] - [ -0.0001419700000000, -0.0006597800000000, 0.0001532100000000 ] - [ -0.0006894000000000, -0.0002274800000000, 0.0002576800000000 ] - [ -0.0001094200000000, -0.0002673700000000, 0.0002040800000000 ] - [ -0.0002693900000000, -0.0002218300000000, 0.0001019100000000 ] - [ 0.0000143100000000, -0.0001215300000000, -0.0001420500000000 ] - [ 0.0049396400000000, -0.0014109200000000, 0.0012053100000000 ] - [ -0.0009646800000000, -0.0001959400000000, -0.0000664900000000 ] - [ 0.0035616200000000, 0.0004217500000000, -0.0009726700000000 ] - [ -0.0000233500000000, -0.0002307800000000, -0.0001553000000000 ] - [ 0.0002394800000000, -0.0003239900000000, -0.0003667300000000 ] - [ 0.0001548400000000, -0.0001527400000000, -0.0000845100000000 ] - [ -0.0000913200000000, 0.0000316200000000, 0.0001047600000000 ] - [ -0.0003241600000000, 0.0004599400000000, -0.0002765500000000 ] - [ 0.0008654100000000, 0.0011375400000000, -0.0011124700000000 ] - [ 0.0003285300000000, 0.0001679100000000, -0.0003279200000000 ] - [ 0.0000133200000000, 0.0001475400000000, -0.0002845900000000 ] - [ 0.0000256400000000, 0.0002222600000000, -0.0000685800000000 ] - [ 0.0027330600000000, 0.0002784800000000, 0.0005368700000000 ] - [ -0.0010752500000000, 0.0006137700000000, 0.0008476100000000 ] - [ -0.0010453900000000, -0.0002567400000000, -0.0004439300000000 ] - [ -0.0002681100000000, 0.0001809100000000, 0.0003093800000000 ] - [ 0.0001254100000000, 0.0002909700000000, -0.0000506800000000 ] - [ -0.0002177600000000, 0.0002994000000000, -0.0000061700000000 ] - [ -0.0004543600000000, -0.0004091700000000, 0.0012665600000000 ] - [ -0.0006215200000000, -0.0003582800000000, -0.0005755500000000 ] - [ -0.0005423000000000, -0.0009164500000000, -0.0054998400000000 ] - [ 0.0002195100000000, 0.0002338900000000, 0.0002402400000000 ] - [ -0.0001549700000000, -0.0002421500000000, -0.0004052500000000 ] - [ -0.0000097200000000, 0.0000325200000000, 0.0000190300000000 ] - [ 0.0002175100000000, -0.0000487700000000, 0.0002891700000000 ] - [ -0.0002194900000000, 0.0001814400000000, -0.0001596100000000 ] - [ -0.0002819800000000, 0.0003090500000000, -0.0005095800000000 ] - [ 0.0000388300000000, -0.0000194100000000, 0.0000725600000000 ] - [ -0.0000960400000000, 0.0001153300000000, -0.0001905900000000 ] - [ -0.0002203600000000, 0.0002351300000000, -0.0002732800000000 ] - [ 0.0004484600000000, 0.0001459300000000, 0.0004965600000000 ] - [ -0.0001931700000000, 0.0000090900000000, -0.0001736300000000 ] - [ -0.0003030600000000, -0.0002718000000000, -0.0002482900000000 ] - [ -0.0000754200000000, -0.0000920100000000, -0.0000773400000000 ] - [ -0.0001476000000000, -0.0001817100000000, -0.0002283700000000 ] - [ -0.0000872800000000, -0.0001277800000000, -0.0001676900000000 ] - [ 0.0015422400000000, -0.0008658600000000, -0.0018907200000000 ] - [ -0.0006012500000000, 0.0003679200000000, -0.0006831600000000 ] - [ -0.0002245500000000, 0.0001919300000000, 0.0007853700000000 ] - [ -0.0000088600000000, -0.0000567700000000, 0.0000729900000000 ] - [ -0.0002297400000000, 0.0003524400000000, -0.0004781800000000 ] - [ 0.0002846000000000, -0.0003550000000000, 0.0003044700000000 ] - [ 0.0869177100000000, -0.0299633800000000, 0.0072354900000000 ] - [ -0.0020791700000000, -0.0041894500000000, -0.0014183900000000 ] - [ -0.0020049800000000, 0.0037821400000000, -0.0004179400000000 ] - [ -0.0005833100000000, -0.0000733100000000, -0.0002011100000000 ] - [ -0.0006821300000000, -0.0003263000000000, -0.0006007300000000 ] - [ -0.0006873500000000, 0.0000248000000000, -0.0005375800000000 ] - [ 0.0008056600000000, -0.0004003000000000, 0.0008047300000000 ] - [ 0.0001875100000000, 0.0001488100000000, -0.0005759100000000 ] - [ 0.0007167000000000, -0.0005732700000000, 0.0007486800000000 ] - [ 0.0005752600000000, -0.0000905400000000, 0.0003247300000000 ] - [ 0.0003123100000000, -0.0001282800000000, -0.0002415900000000 ] - [ 0.0007615000000000, 0.0002568700000000, 0.0004262000000000 ] - [ 0.0008950200000000, 0.0027422800000000, 0.0007055500000000 ] - [ 0.0002613900000000, 0.0002208500000000, -0.0000331300000000 ] - [ 0.0011775400000000, -0.0014910600000000, 0.0008198700000000 ] - [ 0.0005519400000000, 0.0001449500000000, 0.0001959200000000 ] - [ 0.0004593200000000, 0.0000993400000000, -0.0000296000000000 ] - [ 0.0004965800000000, 0.0000582300000000, 0.0001119700000000 ] - [ 0.0011304400000000, -0.0021915900000000, 0.0021739100000000 ] - [ -0.0009257900000000, 0.0001256800000000, -0.0005205400000000 ] - [ -0.0015820400000000, 0.0010787700000000, -0.0024169600000000 ] - [ 0.0009015300000000, 0.0015875200000000, 0.0017612200000000 ] - [ -0.0020414600000000, -0.0007290300000000, -0.0021124400000000 ] - [ -0.0010356900000000, -0.0001184600000000, -0.0007220700000000 ] - [ -0.0647002100000000, 0.0446595500000000, -0.0268243200000000 ] - [ 0.0033101400000000, 0.0020880200000000, -0.0004738100000000 ] - [ 0.0032743800000000, -0.0019121800000000, -0.0004537000000000 ] - [ 0.0001799000000000, 0.0000143200000000, -0.0002594900000000 ] - [ 0.0001061700000000, 0.0001405300000000, -0.0000695300000000 ] - [ 0.0001115200000000, -0.0000458800000000, -0.0001093500000000 ] - [ -0.0002314800000000, 0.0004858800000000, 0.0001328800000000 ] - [ 0.0000096900000000, -0.0001597100000000, 0.0004371800000000 ] - [ -0.0001226500000000, 0.0003282000000000, 0.0000794400000000 ] - [ -0.0000702200000000, 0.0000164300000000, 0.0001654300000000 ] - [ 0.0000067500000000, 0.0000273200000000, 0.0003776800000000 ] - [ -0.0003150000000000, -0.0002491400000000, 0.0002906800000000 ] - [ 0.0003320000000000, -0.0028631100000000, -0.0003925900000000 ] - [ 0.0003599500000000, -0.0000864000000000, 0.0002029100000000 ] - [ -0.0003589400000000, 0.0022591300000000, 0.0005130300000000 ] - [ -0.0001261400000000, -0.0000419200000000, 0.0002225500000000 ] - [ -0.0001381800000000, -0.0000345800000000, 0.0003530900000000 ] - [ -0.0000714500000000, -0.0000111500000000, 0.0002500300000000 ] - [ -0.0004885600000000, 0.0014684000000000, -0.0004873400000000 ] - [ 0.0003982300000000, -0.0000322100000000, -0.0001869100000000 ] - [ 0.0004507400000000, -0.0006868400000000, 0.0006327100000000 ] - [ -0.0004783900000000, -0.0010556700000000, -0.0003763500000000 ] - [ 0.0004383000000000, 0.0007821200000000, 0.0002633800000000 ] - [ 0.0004039000000000, 0.0001254500000000, -0.0001579300000000 ] - [ -0.0241746200000000, 0.0176053000000000, 0.0071237800000000 ] - [ 0.0009850900000000, 0.0011311300000000, 0.0013041600000000 ] - [ 0.0001617100000000, -0.0009626300000000, -0.0009852400000000 ] - [ 0.0002130600000000, -0.0000400800000000, -0.0002133400000000 ] - [ 0.0003843600000000, -0.0000911900000000, 0.0002712100000000 ] - [ 0.0000125900000000, 0.0001641000000000, -0.0001338300000000 ] - [ -0.0012515800000000, 0.0001426800000000, -0.0003289800000000 ] - [ 0.0003544100000000, -0.0004840400000000, 0.0006869200000000 ] - [ 0.0001897200000000, 0.0004832600000000, -0.0001681900000000 ] - [ -0.0001173600000000, 0.0000082800000000, 0.0001594100000000 ] - [ -0.0000031100000000, -0.0000674900000000, 0.0005073200000000 ] - [ -0.0002167600000000, -0.0000509200000000, 0.0002096700000000 ] - [ -0.0008575600000000, -0.0011502200000000, -0.0007385500000000 ] - [ 0.0001156600000000, 0.0000097600000000, 0.0003176500000000 ] - [ 0.0000605400000000, 0.0004305600000000, 0.0006505500000000 ] - [ -0.0001892300000000, 0.0000558100000000, 0.0001512700000000 ] - [ -0.0001352600000000, 0.0000696100000000, 0.0003839400000000 ] - [ -0.0000123900000000, -0.0000135100000000, 0.0003395200000000 ] - [ 0.0001998000000000, 0.0015021300000000, -0.0035363200000000 ] - [ 0.0008452500000000, 0.0001227000000000, 0.0000989900000000 ] - [ 0.0010309000000000, -0.0005358500000000, 0.0030377100000000 ] - [ -0.0003714100000000, 0.0000582100000000, -0.0009087300000000 ] - [ 0.0007418300000000, -0.0001434200000000, 0.0009154700000000 ] - [ 0.0004095100000000, -0.0000467600000000, 0.0000431400000000 ] - [ 0.0001187800000000, 0.0003467300000000, -0.0009373100000000 ] - [ 0.0007709200000000, -0.0011838100000000, 0.0007503300000000 ] - [ -0.0148930200000000, -0.0319253400000000, 0.0158723300000000 ] - [ -0.0002872700000000, -0.0005227400000000, -0.0003293100000000 ] - [ -0.0000431000000000, -0.0003006000000000, -0.0000156200000000 ] - [ -0.0001581100000000, -0.0003685800000000, -0.0003899300000000 ] - [ -0.0001037200000000, -0.0004474300000000, 0.0000696100000000 ] - [ 0.0003743900000000, -0.0005060800000000, 0.0003574900000000 ] - [ 0.0004896400000000, -0.0003980400000000, 0.0008920600000000 ] - [ 0.0001285000000000, -0.0003044700000000, 0.0001604200000000 ] - [ 0.0000687100000000, -0.0004391000000000, 0.0003555300000000 ] - [ 0.0005585600000000, -0.0003838800000000, 0.0008542600000000 ] - [ -0.0003858300000000, 0.0006965700000000, -0.0005077600000000 ] - [ 0.0003811800000000, -0.0002045400000000, 0.0007163800000000 ] - [ 0.0005805500000000, 0.0003824700000000, 0.0006312100000000 ] - [ 0.0002568200000000, 0.0003865700000000, 0.0004829200000000 ] - [ 0.0002749900000000, 0.0004514800000000, 0.0005104200000000 ] - [ 0.0003015100000000, 0.0003678200000000, 0.0006100000000000 ] - [ 0.0000266300000000, 0.0017106600000000, 0.0024524800000000 ] - [ 0.0004474500000000, 0.0002836100000000, 0.0001752300000000 ] - [ -0.0003144500000000, -0.0005655400000000, -0.0028005700000000 ] - [ 0.0000039600000000, 0.0004614600000000, -0.0002562000000000 ] - [ 0.0005510500000000, 0.0004489200000000, 0.0010792100000000 ] - [ -0.0010021600000000, 0.0004488200000000, -0.0014613800000000 ]- atom: 73 displacement: [ -0.0099999690333460, 0.0000000000000000, 0.0000248863842565 ] forces: - [ -0.0009216800000000, -0.0001483500000000, -0.0002628000000000 ] - [ -0.0000978700000000, 0.0002121400000000, 0.0001049100000000 ] - [ 0.0005066900000000, -0.0002264500000000, 0.0000414000000000 ] - [ -0.0001709200000000, -0.0001570800000000, 0.0000998400000000 ] - [ -0.0000030200000000, -0.0002439700000000, 0.0001494600000000 ] - [ -0.0001960500000000, -0.0003289900000000, 0.0004413600000000 ] - [ -0.0045773700000000, 0.0007858000000000, -0.0013772600000000 ] - [ 0.0012354800000000, -0.0002646800000000, -0.0001891400000000 ] - [ -0.0034253500000000, -0.0009778000000000, 0.0007832400000000 ] - [ 0.0002041900000000, -0.0002200200000000, -0.0001438800000000 ] - [ 0.0000319000000000, -0.0001418600000000, 0.0001159400000000 ] - [ 0.0001273700000000, -0.0002701700000000, -0.0002174800000000 ] - [ 0.0002749800000000, 0.0004186700000000, -0.0004033600000000 ] - [ 0.0005877200000000, 0.0000079300000000, 0.0000255400000000 ] - [ -0.0005752200000000, -0.0006948400000000, 0.0007860900000000 ] - [ -0.0001479900000000, 0.0002863600000000, 0.0000324600000000 ] - [ 0.0002601800000000, 0.0003199200000000, 0.0000326500000000 ] - [ 0.0002543700000000, 0.0002025200000000, -0.0002351900000000 ] - [ -0.0030029000000000, 0.0001543300000000, -0.0001988000000000 ] - [ 0.0007978000000000, -0.0001442100000000, -0.0005892600000000 ] - [ 0.0008644000000000, 0.0007097100000000, 0.0007529200000000 ] - [ -0.0000139300000000, 0.0002426900000000, -0.0000072400000000 ] - [ -0.0003983200000000, 0.0001726400000000, 0.0003022400000000 ] - [ 0.0000377400000000, 0.0001506100000000, 0.0003055500000000 ] - [ 0.0005920800000000, 0.0005895900000000, -0.0010780100000000 ] - [ 0.0007661600000000, 0.0005461400000000, 0.0007533400000000 ] - [ 0.0006208500000000, 0.0010408200000000, 0.0055904100000000 ] - [ -0.0000758500000000, -0.0000477100000000, -0.0000681800000000 ] - [ 0.0003031300000000, 0.0004326800000000, 0.0005829600000000 ] - [ 0.0001583500000000, 0.0001544300000000, 0.0001543400000000 ] - [ -0.0003657100000000, 0.0002372300000000, -0.0004622800000000 ] - [ 0.0000745700000000, 0.0000056900000000, -0.0000124000000000 ] - [ 0.0001353100000000, -0.0001186200000000, 0.0003344500000000 ] - [ -0.0001898200000000, 0.0002093700000000, -0.0002493700000000 ] - [ -0.0000487700000000, 0.0000731000000000, 0.0000173600000000 ] - [ 0.0000749000000000, -0.0000460400000000, 0.0000989300000000 ] - [ -0.0005939600000000, -0.0003247800000000, -0.0006658200000000 ] - [ 0.0000489900000000, -0.0001937200000000, 0.0000012100000000 ] - [ 0.0001582300000000, 0.0000857100000000, 0.0000764500000000 ] - [ -0.0000733500000000, -0.0000953800000000, -0.0000965700000000 ] - [ 0.0000021200000000, -0.0000058800000000, 0.0000548000000000 ] - [ -0.0000576300000000, -0.0000600000000000, -0.0000053000000000 ] - [ -0.0013242900000000, 0.0005796500000000, 0.0021670600000000 ] - [ 0.0007451400000000, -0.0005541900000000, 0.0008511500000000 ] - [ 0.0003780900000000, -0.0003882800000000, -0.0006173100000000 ] - [ 0.0001544400000000, -0.0001323900000000, 0.0001020400000000 ] - [ 0.0003720900000000, -0.0005372500000000, 0.0006484300000000 ] - [ -0.0001332600000000, 0.0001639900000000, -0.0001268300000000 ] - [ -0.0874195400000000, 0.0270228000000000, -0.0076959300000000 ] - [ 0.0009595900000000, 0.0039200600000000, 0.0009630600000000 ] - [ 0.0008879100000000, -0.0040528100000000, -0.0000199200000000 ] - [ -0.0005254800000000, -0.0001302800000000, -0.0002308500000000 ] - [ -0.0004305900000000, 0.0001193600000000, 0.0001664400000000 ] - [ -0.0004285700000000, -0.0002319000000000, 0.0001001300000000 ] - [ 0.0003101400000000, 0.0002234700000000, -0.0003773100000000 ] - [ 0.0009232400000000, -0.0003472200000000, 0.0010038200000000 ] - [ 0.0003901100000000, 0.0003805800000000, -0.0003222700000000 ] - [ 0.0005439300000000, -0.0001137000000000, 0.0001183200000000 ] - [ 0.0007996600000000, -0.0000770400000000, 0.0006758100000000 ] - [ 0.0003498200000000, -0.0004566400000000, 0.0000103800000000 ] - [ 0.0002226300000000, -0.0025064100000000, -0.0002653400000000 ] - [ 0.0008498100000000, -0.0000074800000000, 0.0004671300000000 ] - [ -0.0000730000000000, 0.0017251200000000, -0.0003922800000000 ] - [ 0.0005652400000000, 0.0000611400000000, 0.0002435900000000 ] - [ 0.0006530700000000, 0.0001062400000000, 0.0004638500000000 ] - [ 0.0006126400000000, 0.0001452900000000, 0.0003210700000000 ] - [ -0.0022229000000000, 0.0023721500000000, -0.0025888400000000 ] - [ -0.0001858900000000, 0.0000773600000000, 0.0000922300000000 ] - [ 0.0004569600000000, -0.0008740600000000, 0.0019532800000000 ] - [ -0.0020301000000000, -0.0014142700000000, -0.0022115300000000 ] - [ 0.0009338900000000, 0.0009362300000000, 0.0017015000000000 ] - [ -0.0000838700000000, 0.0003207400000000, 0.0002754900000000 ] - [ 0.0641495600000000, -0.0411600400000000, 0.0263080900000000 ] - [ -0.0030349600000000, -0.0020114100000000, 0.0000163500000000 ] - [ -0.0030714400000000, 0.0019956000000000, 0.0000026800000000 ] - [ 0.0000581000000000, 0.0000471800000000, -0.0001889500000000 ] - [ 0.0001271800000000, -0.0000934900000000, -0.0003865300000000 ] - [ 0.0001328900000000, 0.0000993700000000, -0.0003423000000000 ] - [ -0.0000129200000000, -0.0004617900000000, 0.0003153800000000 ] - [ -0.0002443700000000, 0.0001987200000000, 0.0000207400000000 ] - [ -0.0001121400000000, -0.0002757400000000, 0.0003692400000000 ] - [ -0.0001756400000000, 0.0000337500000000, 0.0002851800000000 ] - [ -0.0002377400000000, 0.0000167100000000, 0.0000787100000000 ] - [ 0.0000760500000000, 0.0003070200000000, 0.0001584500000000 ] - [ -0.0005695000000000, 0.0027815200000000, 0.0008382400000000 ] - [ -0.0005917900000000, 0.0000359200000000, 0.0002526300000000 ] - [ 0.0001202800000000, -0.0023488000000000, -0.0000700100000000 ] - [ -0.0001188800000000, -0.0000092800000000, 0.0002293400000000 ] - [ -0.0000942500000000, -0.0000099300000000, 0.0001034300000000 ] - [ -0.0001669500000000, -0.0000494500000000, 0.0001993900000000 ] - [ 0.0007191300000000, -0.0015146600000000, 0.0000384600000000 ] - [ -0.0001650100000000, -0.0000118700000000, -0.0002713200000000 ] - [ -0.0002009100000000, 0.0006370500000000, -0.0010730900000000 ] - [ 0.0007284300000000, 0.0010132400000000, -0.0000776200000000 ] - [ -0.0002115300000000, -0.0008253400000000, -0.0007293400000000 ] - [ -0.0001591400000000, -0.0001746300000000, -0.0002911600000000 ] - [ 0.0242404300000000, -0.0179540400000000, -0.0076878700000000 ] - [ -0.0006829000000000, -0.0011242300000000, -0.0016890500000000 ] - [ 0.0001087000000000, 0.0009733900000000, 0.0005803600000000 ] - [ 0.0000650300000000, 0.0000082800000000, -0.0002066900000000 ] - [ -0.0000757300000000, 0.0000788600000000, -0.0006744700000000 ] - [ 0.0002425500000000, -0.0001732800000000, -0.0002807600000000 ] - [ 0.0009981600000000, -0.0001709700000000, 0.0007527900000000 ] - [ -0.0006594700000000, 0.0004674200000000, -0.0002766700000000 ] - [ -0.0004698100000000, -0.0005220100000000, 0.0005927300000000 ] - [ -0.0001409500000000, -0.0000177400000000, 0.0002525200000000 ] - [ -0.0003032500000000, 0.0000573600000000, -0.0001009400000000 ] - [ -0.0000623900000000, 0.0000189000000000, 0.0002096700000000 ] - [ 0.0005937300000000, 0.0011474700000000, 0.0011451400000000 ] - [ -0.0004226500000000, -0.0000013000000000, 0.0000852300000000 ] - [ -0.0003373100000000, -0.0004129200000000, -0.0002338400000000 ] - [ -0.0000668000000000, -0.0000472200000000, 0.0002625400000000 ] - [ -0.0001712300000000, -0.0000600100000000, 0.0000216800000000 ] - [ -0.0002663900000000, 0.0000447200000000, 0.0000808100000000 ] - [ 0.0000801200000000, -0.0014541800000000, 0.0030799000000000 ] - [ -0.0005374900000000, -0.0001096400000000, -0.0005109500000000 ] - [ -0.0007492100000000, 0.0005841100000000, -0.0034247300000000 ] - [ 0.0006549600000000, -0.0000224800000000, 0.0004949000000000 ] - [ -0.0004398300000000, 0.0001582600000000, -0.0013353800000000 ] - [ -0.0001516400000000, 0.0000567700000000, -0.0004524000000000 ] - [ -0.0006224300000000, -0.0011427100000000, 0.0000616400000000 ] - [ -0.0012376900000000, 0.0003772100000000, -0.0016193200000000 ] - [ 0.0147961500000000, 0.0310894900000000, -0.0167758600000000 ] - [ -0.0002182000000000, -0.0002876400000000, -0.0005417700000000 ] - [ -0.0004273200000000, -0.0005220000000000, -0.0008419700000000 ] - [ -0.0002935400000000, -0.0004340900000000, -0.0004711800000000 ] - [ 0.0005531500000000, -0.0003573000000000, 0.0007891600000000 ] - [ 0.0000924300000000, -0.0003155600000000, 0.0004939300000000 ] - [ 0.0000186100000000, -0.0004142200000000, -0.0000189300000000 ] - [ 0.0003237400000000, -0.0005005100000000, 0.0007049100000000 ] - [ 0.0003975500000000, -0.0003882900000000, 0.0004989500000000 ] - [ -0.0000517500000000, -0.0004286100000000, 0.0000204000000000 ] - [ 0.0008414800000000, 0.0000900000000000, 0.0013744800000000 ] - [ 0.0000857300000000, 0.0010141300000000, 0.0001446400000000 ] - [ -0.0000723900000000, 0.0004262600000000, 0.0002413800000000 ] - [ 0.0001942400000000, 0.0004168100000000, 0.0003785400000000 ] - [ 0.0001936000000000, 0.0003693000000000, 0.0003442700000000 ] - [ 0.0002053500000000, 0.0004436500000000, 0.0002619300000000 ] - [ -0.0005718100000000, -0.0008454600000000, -0.0033625900000000 ] - [ -0.0009139900000000, 0.0005392600000000, -0.0010222500000000 ] - [ -0.0001364700000000, 0.0013844200000000, 0.0019679100000000 ] - [ -0.0005113600000000, 0.0003506200000000, -0.0006193900000000 ] - [ -0.0010119400000000, 0.0003760300000000, -0.0019207200000000 ] - [ 0.0005430600000000, 0.0003562100000000, 0.0005894700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0035149800000000, -0.0038511100000000, -0.0020771000000000 ] - [ -0.0039703100000000, -0.0037088700000000, -0.0012289200000000 ] - [ 0.0000141200000000, -0.0006209000000000, 0.0001000700000000 ] - [ -0.0002106200000000, -0.0004049800000000, 0.0001532800000000 ] - [ -0.0000265000000000, -0.0004136100000000, 0.0000781600000000 ] - [ -0.0001261800000000, -0.0005951800000000, 0.0003629000000000 ] - [ 0.0010278800000000, 0.0014892800000000, 0.0008013800000000 ] - [ 0.0001526400000000, -0.0000125100000000, 0.0000678800000000 ] - [ -0.0020033700000000, -0.0000384400000000, 0.0010629800000000 ] - [ 0.0001907000000000, -0.0000589500000000, -0.0002215900000000 ] - [ 0.0000655100000000, 0.0000864600000000, -0.0001070700000000 ] - [ 0.0001076400000000, -0.0000465800000000, -0.0003248700000000 ] - [ -0.0001264000000000, -0.0002185900000000, -0.0000211000000000 ] - [ 0.0009391500000000, -0.0005671100000000, 0.0001447900000000 ] - [ -0.0007620500000000, -0.0033422900000000, 0.0031705900000000 ] - [ 0.0001819600000000, -0.0003866100000000, -0.0006939800000000 ] - [ -0.0001038300000000, -0.0001303300000000, -0.0002155000000000 ] - [ 0.0002861000000000, -0.0000596900000000, -0.0002259500000000 ] - [ -0.0006533500000000, 0.0017450300000000, -0.0019366200000000 ] - [ 0.0009580600000000, 0.0004731100000000, -0.0005988400000000 ] - [ -0.0008898800000000, 0.0008082600000000, -0.0008381300000000 ] - [ -0.0001546400000000, 0.0004157100000000, 0.0003240900000000 ] - [ 0.0000350100000000, 0.0006858800000000, 0.0003344500000000 ] - [ -0.0002329400000000, 0.0005291700000000, 0.0002132600000000 ] - [ 0.0006580300000000, 0.0016709700000000, 0.0005639500000000 ] - [ 0.0003688700000000, 0.0005003100000000, 0.0003259400000000 ] - [ 0.0077619000000000, 0.0138356500000000, 0.0137103800000000 ] - [ 0.0001610700000000, 0.0002203300000000, 0.0000641100000000 ] - [ -0.0002686300000000, -0.0002756800000000, -0.0004647300000000 ] - [ 0.0000816300000000, 0.0001161200000000, 0.0000815700000000 ] - [ -0.0001328000000000, -0.0001106400000000, -0.0004897800000000 ] - [ -0.0000217300000000, 0.0000806100000000, -0.0002175200000000 ] - [ -0.0002945500000000, 0.0001070800000000, -0.0005165600000000 ] - [ 0.0001090600000000, -0.0002321100000000, 0.0003110300000000 ] - [ 0.0002449600000000, -0.0005042000000000, 0.0005110600000000 ] - [ 0.0000115500000000, -0.0001036800000000, 0.0001268600000000 ] - [ -0.0010548300000000, -0.0021522300000000, -0.0014037900000000 ] - [ 0.0001795500000000, -0.0003317800000000, 0.0001275900000000 ] - [ -0.0002937100000000, -0.0004177100000000, -0.0002931700000000 ] - [ -0.0001301100000000, -0.0001777000000000, -0.0002157900000000 ] - [ -0.0000837700000000, -0.0001284500000000, -0.0001340900000000 ] - [ -0.0001804400000000, -0.0002334600000000, -0.0002717100000000 ] - [ -0.0078015300000000, 0.0143800000000000, -0.0133219600000000 ] - [ -0.0001079500000000, 0.0002115500000000, -0.0000305300000000 ] - [ -0.0002010100000000, 0.0012093300000000, -0.0004431500000000 ] - [ 0.0000702200000000, -0.0000528800000000, 0.0000307300000000 ] - [ 0.0003718100000000, -0.0004540400000000, 0.0005630700000000 ] - [ -0.0001679400000000, 0.0001869800000000, -0.0001167900000000 ] - [ -0.0311362100000000, 0.4694571900000000, 0.0056212800000000 ] - [ -0.0014745800000000, 0.0061816700000000, 0.0006076500000000 ] - [ 0.0005996100000000, 0.0062423800000000, 0.0002076200000000 ] - [ -0.0005975500000000, 0.0000298600000000, -0.0003350300000000 ] - [ -0.0005010900000000, 0.0001553900000000, -0.0001440900000000 ] - [ -0.0007643500000000, 0.0001567300000000, -0.0005033000000000 ] - [ 0.0025605100000000, -0.0061377600000000, 0.0055666900000000 ] - [ 0.0010130100000000, -0.0015844900000000, 0.0015632900000000 ] - [ 0.0006520000000000, -0.0020464400000000, 0.0012051300000000 ] - [ 0.0003985900000000, -0.0003844400000000, -0.0002525600000000 ] - [ 0.0002684500000000, -0.0005391900000000, -0.0003183100000000 ] - [ -0.0002235100000000, -0.0011791900000000, -0.0011098400000000 ] - [ 0.0006352100000000, -0.0077040000000000, 0.0001182600000000 ] - [ 0.0005650100000000, -0.0007531300000000, 0.0001011500000000 ] - [ 0.0018568400000000, -0.0088838500000000, 0.0004212900000000 ] - [ 0.0006006000000000, 0.0000790200000000, 0.0003413500000000 ] - [ 0.0005868000000000, 0.0002605900000000, 0.0003329500000000 ] - [ 0.0005566600000000, 0.0001447600000000, 0.0002474300000000 ] - [ -0.0020211300000000, 0.0036549300000000, -0.0018990000000000 ] - [ -0.0003785600000000, 0.0003906700000000, -0.0002377000000000 ] - [ 0.0007960000000000, 0.0006857900000000, 0.0022978000000000 ] - [ 0.0010321400000000, 0.0041149600000000, 0.0007620700000000 ] - [ -0.0015763900000000, 0.0002402800000000, -0.0025568900000000 ] - [ -0.0006315100000000, 0.0003878500000000, -0.0001903700000000 ] - [ 0.0448189200000000, -0.6176098500000000, -0.0147274300000000 ] - [ -0.0018530300000000, -0.0038001700000000, -0.0000894600000000 ] - [ 0.0021891700000000, -0.0038002700000000, -0.0002982700000000 ] - [ 0.0001025200000000, -0.0000854100000000, -0.0001744400000000 ] - [ 0.0000431700000000, -0.0001958800000000, -0.0002339000000000 ] - [ 0.0002406300000000, -0.0001923000000000, -0.0001420300000000 ] - [ -0.0005984500000000, 0.0057346100000000, -0.0002436200000000 ] - [ 0.0000647500000000, 0.0011949400000000, -0.0000312900000000 ] - [ -0.0004236900000000, 0.0014117800000000, 0.0002046800000000 ] - [ -0.0001135300000000, 0.0002650500000000, 0.0003672900000000 ] - [ -0.0001222100000000, 0.0004325000000000, 0.0003533100000000 ] - [ 0.0001604400000000, 0.0009898800000000, 0.0003561900000000 ] - [ -0.0029370700000000, 0.0067706200000000, 0.0016575100000000 ] - [ -0.0001779000000000, 0.0005027300000000, 0.0003147100000000 ] - [ 0.0021782900000000, 0.0084731800000000, 0.0012030300000000 ] - [ -0.0001398400000000, -0.0000261600000000, 0.0001612200000000 ] - [ -0.0001283000000000, -0.0001397700000000, 0.0001903800000000 ] - [ -0.0000996000000000, -0.0000785100000000, 0.0002101300000000 ] - [ 0.0011580800000000, -0.0022046100000000, -0.0006604500000000 ] - [ -0.0000351900000000, -0.0001714400000000, -0.0002176000000000 ] - [ -0.0006888200000000, -0.0007925900000000, -0.0017046700000000 ] - [ -0.0013784400000000, -0.0022030200000000, 0.0009612200000000 ] - [ 0.0007840000000000, -0.0007902400000000, 0.0009883200000000 ] - [ 0.0001326600000000, -0.0001741400000000, -0.0002129600000000 ] - [ 0.0160004300000000, 0.0685743500000000, 0.0501372600000000 ] - [ 0.0010284200000000, -0.0018080000000000, -0.0015902300000000 ] - [ -0.0017998600000000, -0.0024134300000000, -0.0006968000000000 ] - [ 0.0001383700000000, -0.0000315000000000, -0.0001614100000000 ] - [ -0.0000710300000000, 0.0001289700000000, -0.0005390100000000 ] - [ 0.0003754100000000, -0.0001084400000000, -0.0000214300000000 ] - [ -0.0011187600000000, 0.0059824700000000, -0.0042541400000000 ] - [ -0.0010016200000000, 0.0009650200000000, -0.0008207600000000 ] - [ 0.0002751100000000, 0.0010743000000000, -0.0006699900000000 ] - [ -0.0000893200000000, -0.0000000900000000, 0.0004355600000000 ] - [ -0.0000905100000000, -0.0000116200000000, 0.0003906200000000 ] - [ 0.0001098600000000, 0.0000587100000000, 0.0006756900000000 ] - [ 0.0010404400000000, 0.0031228800000000, 0.0017310500000000 ] - [ -0.0001734500000000, 0.0003448200000000, 0.0004845400000000 ] - [ 0.0000525400000000, 0.0039465300000000, 0.0022944400000000 ] - [ -0.0002338800000000, 0.0002112300000000, -0.0000055400000000 ] - [ -0.0003233000000000, 0.0003190700000000, -0.0001511900000000 ] - [ -0.0001655700000000, 0.0001308400000000, 0.0000773600000000 ] - [ -0.0002303400000000, -0.0025791700000000, 0.0021263200000000 ] - [ -0.0001178500000000, -0.0003389100000000, -0.0001967300000000 ] - [ -0.0024905800000000, -0.0060303700000000, -0.0053065800000000 ] - [ 0.0000573600000000, -0.0008442400000000, -0.0002706100000000 ] - [ 0.0009593400000000, -0.0006161600000000, 0.0016579200000000 ] - [ 0.0002133900000000, -0.0001097600000000, -0.0002057500000000 ] - [ 0.0008904200000000, -0.0022285900000000, -0.0004776000000000 ] - [ -0.0007820000000000, -0.0019322600000000, 0.0003416200000000 ] - [ -0.0297151400000000, 0.0584539800000000, -0.0442372500000000 ] - [ -0.0003659500000000, -0.0005057700000000, -0.0004204400000000 ] - [ 0.0000866700000000, -0.0002793600000000, 0.0000815700000000 ] - [ -0.0002040900000000, -0.0004573600000000, -0.0003319200000000 ] - [ 0.0005761100000000, 0.0002937200000000, 0.0017806000000000 ] - [ 0.0002271500000000, -0.0002462600000000, 0.0008513500000000 ] - [ 0.0005266400000000, -0.0002692400000000, 0.0009981900000000 ] - [ 0.0003540000000000, 0.0000527200000000, -0.0000163300000000 ] - [ -0.0002553000000000, 0.0006707600000000, -0.0009935300000000 ] - [ 0.0000931100000000, -0.0001998000000000, -0.0000492100000000 ] - [ -0.0003466400000000, 0.0040833500000000, -0.0004388500000000 ] - [ -0.0001807100000000, 0.0028545900000000, -0.0012920600000000 ] - [ 0.0002933800000000, 0.0008195400000000, 0.0004304700000000 ] - [ 0.0002480900000000, 0.0004526000000000, 0.0004929000000000 ] - [ 0.0001914900000000, 0.0004740100000000, 0.0004012100000000 ] - [ 0.0003026800000000, 0.0004888400000000, 0.0004855600000000 ] - [ 0.0037911600000000, -0.0066954900000000, 0.0055196700000000 ] - [ -0.0000902900000000, 0.0001419200000000, -0.0004906500000000 ] - [ -0.0001153600000000, -0.0017295700000000, -0.0024066300000000 ] - [ -0.0003684200000000, 0.0003038100000000, -0.0004146700000000 ] - [ -0.0011709200000000, -0.0000496400000000, -0.0020809500000000 ] - [ 0.0001828800000000, -0.0000660100000000, 0.0002467500000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0037612900000000, 0.0034064600000000, 0.0023708100000000 ] - [ 0.0036635000000000, 0.0032210500000000, 0.0014755500000000 ] - [ -0.0001942900000000, 0.0001702900000000, 0.0002061700000000 ] - [ -0.0000708800000000, -0.0000188200000000, 0.0001541100000000 ] - [ -0.0002425700000000, -0.0000526900000000, 0.0001767800000000 ] - [ -0.0000554100000000, 0.0001420700000000, -0.0000561900000000 ] - [ -0.0006224300000000, -0.0020881900000000, -0.0009701000000000 ] - [ 0.0001181400000000, -0.0004591100000000, -0.0003200500000000 ] - [ 0.0020823000000000, -0.0005301500000000, -0.0012482100000000 ] - [ -0.0000084500000000, -0.0003936000000000, -0.0000838800000000 ] - [ 0.0002045400000000, -0.0005525800000000, -0.0001474800000000 ] - [ 0.0001724800000000, -0.0003790700000000, 0.0000152400000000 ] - [ 0.0003048200000000, 0.0006742900000000, -0.0002827700000000 ] - [ -0.0006576300000000, 0.0010308300000000, -0.0003959800000000 ] - [ 0.0010315800000000, 0.0037447100000000, -0.0034499500000000 ] - [ -0.0000000400000000, 0.0008371900000000, 0.0003807800000000 ] - [ 0.0003717900000000, 0.0005963000000000, -0.0000417200000000 ] - [ -0.0000039800000000, 0.0004842200000000, -0.0000833700000000 ] - [ 0.0003818900000000, -0.0014346300000000, 0.0020234800000000 ] - [ -0.0012225500000000, -0.0000164200000000, 0.0008504300000000 ] - [ 0.0007043300000000, -0.0003623600000000, 0.0011363700000000 ] - [ -0.0001257800000000, 0.0000053500000000, -0.0000145900000000 ] - [ -0.0003044400000000, -0.0002231400000000, -0.0000783500000000 ] - [ 0.0000505300000000, -0.0000796400000000, 0.0000917700000000 ] - [ -0.0004933700000000, -0.0014664700000000, -0.0003989600000000 ] - [ -0.0002216800000000, -0.0003111900000000, -0.0001526000000000 ] - [ -0.0075853500000000, -0.0135009000000000, -0.0134615500000000 ] - [ -0.0000145100000000, -0.0000304200000000, 0.0001109000000000 ] - [ 0.0004127500000000, 0.0004624200000000, 0.0006372200000000 ] - [ 0.0000680400000000, 0.0000717600000000, 0.0000939200000000 ] - [ -0.0000147700000000, 0.0002933900000000, 0.0003193100000000 ] - [ -0.0001228600000000, 0.0001052100000000, 0.0000450500000000 ] - [ 0.0001526900000000, 0.0000751600000000, 0.0003492700000000 ] - [ -0.0002569900000000, 0.0004182500000000, -0.0004852300000000 ] - [ -0.0003917500000000, 0.0006920000000000, -0.0006873700000000 ] - [ -0.0001570300000000, 0.0002911700000000, -0.0003005500000000 ] - [ 0.0009022600000000, 0.0019562700000000, 0.0012228000000000 ] - [ -0.0003274300000000, 0.0001391500000000, -0.0003042700000000 ] - [ 0.0001489300000000, 0.0002273800000000, 0.0001194500000000 ] - [ -0.0000195700000000, -0.0000118200000000, 0.0000401400000000 ] - [ -0.0000612900000000, -0.0000601000000000, -0.0000395700000000 ] - [ 0.0000344800000000, 0.0000434700000000, 0.0000974200000000 ] - [ 0.0078863400000000, -0.0143899100000000, 0.0134160400000000 ] - [ 0.0002548000000000, -0.0004004400000000, 0.0002085500000000 ] - [ 0.0003411500000000, -0.0013827300000000, 0.0006201200000000 ] - [ 0.0000748400000000, -0.0001347100000000, 0.0001406700000000 ] - [ -0.0002260600000000, 0.0002662800000000, -0.0003884700000000 ] - [ 0.0003132400000000, -0.0003695300000000, 0.0002854400000000 ] - [ 0.0269117900000000, -0.4320576000000000, -0.0049202000000000 ] - [ 0.0003820600000000, -0.0063233300000000, -0.0010104300000000 ] - [ -0.0017212800000000, -0.0063739600000000, -0.0006526100000000 ] - [ -0.0005120300000000, -0.0002346300000000, -0.0000997000000000 ] - [ -0.0006109600000000, -0.0003615400000000, -0.0002896100000000 ] - [ -0.0003552800000000, -0.0003636500000000, 0.0000600200000000 ] - [ -0.0014418300000000, 0.0058927100000000, -0.0051150800000000 ] - [ 0.0000992200000000, 0.0013686800000000, -0.0011260400000000 ] - [ 0.0004585900000000, 0.0018302500000000, -0.0007680800000000 ] - [ 0.0007187200000000, 0.0001771900000000, 0.0006918600000000 ] - [ 0.0008442000000000, 0.0003308900000000, 0.0007532800000000 ] - [ 0.0013303700000000, 0.0009682100000000, 0.0015406600000000 ] - [ 0.0004850100000000, 0.0078747300000000, 0.0003230900000000 ] - [ 0.0005487000000000, 0.0009500700000000, 0.0003346500000000 ] - [ -0.0007388900000000, 0.0090389200000000, 0.0000209700000000 ] - [ 0.0005163900000000, 0.0001236700000000, 0.0000962000000000 ] - [ 0.0005235200000000, -0.0000575300000000, 0.0000969600000000 ] - [ 0.0005519500000000, 0.0000571500000000, 0.0001845000000000 ] - [ 0.0008874600000000, -0.0033974300000000, 0.0014219200000000 ] - [ -0.0007322000000000, -0.0001796500000000, -0.0001996100000000 ] - [ -0.0019073500000000, -0.0004479500000000, -0.0027355900000000 ] - [ -0.0021193100000000, -0.0038590000000000, -0.0011685200000000 ] - [ 0.0004722100000000, -0.0000066400000000, 0.0021273000000000 ] - [ -0.0004851500000000, -0.0001775700000000, -0.0002450800000000 ] - [ -0.0410455600000000, 0.5775729500000000, 0.0129861500000000 ] - [ 0.0020525800000000, 0.0038164500000000, -0.0003683400000000 ] - [ -0.0019083200000000, 0.0038159800000000, -0.0001544100000000 ] - [ 0.0001351400000000, 0.0001460000000000, -0.0002733000000000 ] - [ 0.0001890300000000, 0.0002400300000000, -0.0002225100000000 ] - [ 0.0000059000000000, 0.0002434500000000, -0.0003083200000000 ] - [ 0.0003519400000000, -0.0056561500000000, 0.0007022100000000 ] - [ -0.0002934000000000, -0.0011452500000000, 0.0004879100000000 ] - [ 0.0001819100000000, -0.0013456900000000, 0.0002452700000000 ] - [ -0.0001317500000000, -0.0002156300000000, 0.0000849300000000 ] - [ -0.0001106300000000, -0.0003881000000000, 0.0001029800000000 ] - [ -0.0003959000000000, -0.0009257900000000, 0.0000909400000000 ] - [ 0.0026995600000000, -0.0068036300000000, -0.0012120300000000 ] - [ -0.0000555000000000, -0.0005405700000000, 0.0001420600000000 ] - [ -0.0024328200000000, -0.0085123400000000, -0.0007626000000000 ] - [ -0.0001060600000000, -0.0000225700000000, 0.0002916300000000 ] - [ -0.0001034200000000, 0.0000966700000000, 0.0002678100000000 ] - [ -0.0001381800000000, 0.0000188300000000, 0.0002397400000000 ] - [ -0.0009097500000000, 0.0021099800000000, 0.0002127500000000 ] - [ 0.0002651600000000, 0.0001211800000000, -0.0002377700000000 ] - [ 0.0009272700000000, 0.0007176800000000, 0.0012402700000000 ] - [ 0.0015997400000000, 0.0021119700000000, -0.0014006200000000 ] - [ -0.0005473900000000, 0.0007194700000000, -0.0014371300000000 ] - [ 0.0001119400000000, 0.0001182400000000, -0.0002399000000000 ] - [ -0.0154339800000000, -0.0670846300000000, -0.0494673700000000 ] - [ -0.0007195700000000, 0.0017752300000000, 0.0011602400000000 ] - [ 0.0020441200000000, 0.0023773600000000, 0.0002804000000000 ] - [ 0.0001396200000000, -0.0000015500000000, -0.0002547900000000 ] - [ 0.0003768900000000, -0.0001406800000000, 0.0001338700000000 ] - [ -0.0001148300000000, 0.0000955800000000, -0.0003856300000000 ] - [ 0.0008569800000000, -0.0059846100000000, 0.0046648200000000 ] - [ 0.0006942700000000, -0.0009686600000000, 0.0012234200000000 ] - [ -0.0005544100000000, -0.0010989100000000, 0.0010845200000000 ] - [ -0.0001681600000000, -0.0000088600000000, -0.0000215800000000 ] - [ -0.0002170000000000, 0.0000027300000000, 0.0000140800000000 ] - [ -0.0003876700000000, -0.0000877400000000, -0.0002556600000000 ] - [ -0.0012935200000000, -0.0031030700000000, -0.0013194400000000 ] - [ -0.0001338900000000, -0.0003334400000000, -0.0000792100000000 ] - [ -0.0003343200000000, -0.0038988800000000, -0.0018786200000000 ] - [ -0.0000241400000000, -0.0002015400000000, 0.0004196200000000 ] - [ 0.0000190900000000, -0.0003089400000000, 0.0005600800000000 ] - [ -0.0001124300000000, -0.0001002200000000, 0.0003427500000000 ] - [ 0.0004967200000000, 0.0025793600000000, -0.0024911500000000 ] - [ 0.0004227500000000, 0.0003454100000000, -0.0002055300000000 ] - [ 0.0027396700000000, 0.0059612500000000, 0.0048736700000000 ] - [ 0.0002194100000000, 0.0008669100000000, -0.0001538300000000 ] - [ -0.0006528100000000, 0.0006201500000000, -0.0020591600000000 ] - [ 0.0000439700000000, 0.0001179700000000, -0.0002082600000000 ] - [ -0.0014055000000000, 0.0013977600000000, -0.0003994800000000 ] - [ 0.0003107700000000, 0.0010914100000000, -0.0011816400000000 ] - [ 0.0285475700000000, -0.0578862600000000, 0.0423792100000000 ] - [ -0.0001419900000000, -0.0003097400000000, -0.0004516600000000 ] - [ -0.0005523800000000, -0.0005445300000000, -0.0009322200000000 ] - [ -0.0002475000000000, -0.0003488400000000, -0.0005285900000000 ] - [ -0.0001243500000000, -0.0010930700000000, -0.0009167300000000 ] - [ 0.0002395800000000, -0.0005750100000000, 0.0000033100000000 ] - [ -0.0000216900000000, -0.0005403800000000, -0.0001284500000000 ] - [ 0.0000970100000000, -0.0008539900000000, 0.0008780400000000 ] - [ 0.0007282400000000, -0.0014826300000000, 0.0018543100000000 ] - [ 0.0004139500000000, -0.0006111600000000, 0.0009225300000000 ] - [ 0.0007935200000000, -0.0032620900000000, 0.0012924700000000 ] - [ 0.0006503000000000, -0.0020224800000000, 0.0021404600000000 ] - [ 0.0002108500000000, -0.0000049400000000, 0.0004397900000000 ] - [ 0.0002035200000000, 0.0003514600000000, 0.0003700800000000 ] - [ 0.0002764000000000, 0.0003472300000000, 0.0004540100000000 ] - [ 0.0002058400000000, 0.0003232300000000, 0.0003890700000000 ] - [ -0.0042758800000000, 0.0074088800000000, -0.0063728800000000 ] - [ -0.0003788200000000, 0.0006787300000000, -0.0003690200000000 ] - [ -0.0003321600000000, 0.0025076200000000, 0.0015063600000000 ] - [ -0.0001398200000000, 0.0005071700000000, -0.0004551600000000 ] - [ 0.0007008300000000, 0.0008646600000000, 0.0012246400000000 ] - [ -0.0006254400000000, 0.0008655700000000, -0.0010908900000000 ]- atom: 73 displacement: [ -0.0037952304666203, 0.0000000000000000, 0.0092518228314877 ] forces: - [ 0.0008899300000000, -0.0007789200000000, 0.0008828900000000 ] - [ -0.0016257200000000, -0.0011528000000000, 0.0002781500000000 ] - [ 0.0000576100000000, -0.0002349300000000, 0.0004490600000000 ] - [ -0.0000439300000000, -0.0000543500000000, -0.0003534400000000 ] - [ -0.0001036100000000, -0.0001904000000000, -0.0001912600000000 ] - [ -0.0002036300000000, -0.0000859200000000, -0.0003296900000000 ] - [ -0.0004026400000000, -0.0005627700000000, 0.0029630200000000 ] - [ 0.0005439300000000, -0.0002413700000000, 0.0002499800000000 ] - [ -0.0019049300000000, -0.0008779300000000, 0.0028454400000000 ] - [ 0.0001390600000000, -0.0002612900000000, -0.0005176200000000 ] - [ 0.0000218900000000, -0.0003506800000000, -0.0006214800000000 ] - [ 0.0002262300000000, -0.0003569400000000, -0.0006899000000000 ] - [ 0.0004095200000000, 0.0005215900000000, -0.0000252500000000 ] - [ -0.0002538200000000, 0.0004916400000000, -0.0000220700000000 ] - [ 0.0003770200000000, 0.0011648700000000, -0.0004937600000000 ] - [ 0.0001114400000000, -0.0000385200000000, -0.0007245200000000 ] - [ -0.0000986300000000, 0.0000632400000000, -0.0004005400000000 ] - [ 0.0003780800000000, 0.0000591900000000, -0.0004664700000000 ] - [ -0.0011845300000000, 0.0007047900000000, 0.0048772900000000 ] - [ 0.0007904500000000, -0.0001963800000000, 0.0000635300000000 ] - [ -0.0004616700000000, -0.0000276700000000, 0.0006797700000000 ] - [ 0.0000982000000000, 0.0003778000000000, -0.0003082600000000 ] - [ -0.0001726000000000, 0.0004954700000000, -0.0005593400000000 ] - [ -0.0002864900000000, 0.0003731100000000, -0.0001563300000000 ] - [ 0.0018001900000000, 0.0016222200000000, 0.0008923900000000 ] - [ 0.0003145400000000, 0.0004443600000000, 0.0006665200000000 ] - [ -0.0041831500000000, -0.0004691600000000, -0.0024526300000000 ] - [ -0.0003379300000000, -0.0005430600000000, -0.0009051300000000 ] - [ -0.0005237600000000, -0.0006811400000000, -0.0010190800000000 ] - [ -0.0000286900000000, -0.0001518300000000, -0.0003466800000000 ] - [ -0.0000022000000000, -0.0000479900000000, -0.0000423800000000 ] - [ 0.0000602000000000, -0.0000197700000000, 0.0000730400000000 ] - [ -0.0001111900000000, 0.0000751500000000, -0.0000469200000000 ] - [ -0.0001667500000000, 0.0002577200000000, -0.0004065600000000 ] - [ -0.0004142300000000, 0.0004386700000000, -0.0006772200000000 ] - [ -0.0001478000000000, 0.0001899100000000, -0.0002845500000000 ] - [ 0.0004994400000000, 0.0006590900000000, 0.0012376400000000 ] - [ 0.0001760700000000, 0.0002233600000000, 0.0005961700000000 ] - [ 0.0002582700000000, 0.0003368300000000, 0.0005867500000000 ] - [ -0.0002115200000000, -0.0003237100000000, -0.0004876100000000 ] - [ -0.0002705800000000, -0.0003682200000000, -0.0005430900000000 ] - [ -0.0003651100000000, -0.0004718600000000, -0.0006838600000000 ] - [ -0.0034607400000000, 0.0006703200000000, -0.0031437900000000 ] - [ 0.0002924400000000, -0.0004686200000000, 0.0007574100000000 ] - [ 0.0014752500000000, -0.0013131200000000, 0.0009937900000000 ] - [ -0.0000148600000000, 0.0001585100000000, -0.0003911600000000 ] - [ -0.0004714800000000, 0.0006272300000000, -0.0008709100000000 ] - [ -0.0004180600000000, 0.0006957900000000, -0.0010712400000000 ] - [ -0.0269864200000000, 0.0183659300000000, 0.0860065700000000 ] - [ 0.0006323100000000, 0.0016786400000000, 0.0026982300000000 ] - [ 0.0002603800000000, -0.0018729300000000, 0.0019426100000000 ] - [ -0.0009096900000000, -0.0002195600000000, -0.0012635100000000 ] - [ -0.0011936800000000, -0.0002194500000000, -0.0017240400000000 ] - [ -0.0012751600000000, -0.0001768900000000, -0.0018445300000000 ] - [ 0.0001341500000000, -0.0003809600000000, -0.0005600900000000 ] - [ 0.0006513700000000, -0.0004881300000000, 0.0005909900000000 ] - [ 0.0007407400000000, 0.0001165100000000, 0.0003772800000000 ] - [ 0.0004584400000000, 0.0000462700000000, -0.0001733300000000 ] - [ 0.0003351400000000, 0.0000423100000000, -0.0002966500000000 ] - [ 0.0000584800000000, -0.0000557900000000, -0.0007489200000000 ] - [ 0.0010467500000000, -0.0020378700000000, 0.0014814600000000 ] - [ 0.0009047800000000, -0.0000278000000000, 0.0009633500000000 ] - [ 0.0010960800000000, 0.0001849700000000, 0.0013956700000000 ] - [ 0.0002304500000000, 0.0001363800000000, -0.0005900500000000 ] - [ 0.0000987900000000, 0.0000963500000000, -0.0007649900000000 ] - [ 0.0003025000000000, 0.0001064500000000, -0.0004303700000000 ] - [ -0.0021631400000000, 0.0024744500000000, -0.0038268100000000 ] - [ -0.0004600400000000, 0.0000962200000000, -0.0002600500000000 ] - [ -0.0015755300000000, 0.0013531500000000, -0.0031480100000000 ] - [ -0.0016118500000000, -0.0008693400000000, -0.0030169300000000 ] - [ -0.0022323500000000, -0.0009891600000000, -0.0036546000000000 ] - [ -0.0004496100000000, 0.0002186700000000, -0.0002497100000000 ] - [ -0.0003557200000000, -0.0275155100000000, -0.0870252200000000 ] - [ -0.0012953400000000, -0.0008147000000000, -0.0010991000000000 ] - [ -0.0013169300000000, 0.0009042900000000, -0.0011079600000000 ] - [ 0.0000653400000000, 0.0000823100000000, 0.0002052100000000 ] - [ 0.0002298200000000, 0.0000554400000000, 0.0003227200000000 ] - [ 0.0002742000000000, 0.0000481500000000, 0.0003403800000000 ] - [ -0.0001639800000000, 0.0002706200000000, 0.0006358700000000 ] - [ 0.0000274100000000, 0.0003283100000000, 0.0000822000000000 ] - [ -0.0002500800000000, -0.0000695000000000, 0.0001496300000000 ] - [ -0.0001976100000000, -0.0001027100000000, 0.0004059000000000 ] - [ -0.0000231800000000, -0.0000965600000000, 0.0004099100000000 ] - [ 0.0000163400000000, 0.0000102600000000, 0.0005544300000000 ] - [ -0.0008579600000000, 0.0023561300000000, -0.0001559100000000 ] - [ -0.0003201200000000, 0.0000796300000000, -0.0000507500000000 ] - [ 0.0002358500000000, -0.0000079800000000, -0.0008519600000000 ] - [ -0.0001234100000000, -0.0000799500000000, 0.0005787100000000 ] - [ 0.0000087600000000, -0.0000534300000000, 0.0006116100000000 ] - [ -0.0001131800000000, -0.0000513700000000, 0.0005007200000000 ] - [ 0.0002070300000000, -0.0016734100000000, 0.0005107400000000 ] - [ 0.0000717900000000, -0.0000302600000000, -0.0001969900000000 ] - [ 0.0004640600000000, -0.0008915400000000, 0.0006535000000000 ] - [ 0.0001126500000000, 0.0007768300000000, 0.0004652800000000 ] - [ 0.0007809700000000, 0.0010345500000000, 0.0007771000000000 ] - [ 0.0000542500000000, -0.0000913500000000, -0.0002039000000000 ] - [ 0.0166638700000000, 0.0425702800000000, -0.0040396100000000 ] - [ -0.0000831500000000, -0.0009162600000000, -0.0022110900000000 ] - [ -0.0003877700000000, 0.0005199500000000, -0.0015636600000000 ] - [ 0.0002695900000000, 0.0001168400000000, 0.0005600100000000 ] - [ 0.0007023800000000, 0.0000171000000000, 0.0010117000000000 ] - [ 0.0006442200000000, -0.0000026700000000, 0.0011719700000000 ] - [ 0.0002052200000000, -0.0013293100000000, -0.0000281400000000 ] - [ -0.0002543600000000, 0.0000151000000000, -0.0004140100000000 ] - [ -0.0005884200000000, -0.0003931500000000, -0.0001200800000000 ] - [ -0.0000794300000000, -0.0000008200000000, 0.0006469100000000 ] - [ 0.0000276700000000, -0.0000193000000000, 0.0007147200000000 ] - [ 0.0001698000000000, -0.0000484300000000, 0.0009841100000000 ] - [ -0.0002343300000000, 0.0004420500000000, 0.0000220700000000 ] - [ -0.0003698700000000, -0.0001190900000000, -0.0002224200000000 ] - [ -0.0002919000000000, -0.0006335300000000, -0.0004205800000000 ] - [ -0.0000091100000000, 0.0001357500000000, 0.0007858900000000 ] - [ 0.0002138200000000, 0.0001071700000000, 0.0009658300000000 ] - [ -0.0000103600000000, 0.0001352100000000, 0.0006212900000000 ] - [ -0.0016033800000000, -0.0022120400000000, 0.0035596200000000 ] - [ 0.0000121200000000, -0.0001575700000000, -0.0004400000000000 ] - [ 0.0025450200000000, -0.0011621200000000, 0.0025032100000000 ] - [ 0.0005395500000000, -0.0000460100000000, 0.0012383200000000 ] - [ 0.0011720100000000, -0.0001997300000000, 0.0019593500000000 ] - [ 0.0000306500000000, 0.0000930200000000, 0.0000689600000000 ] - [ -0.0013008500000000, -0.0010454200000000, -0.0021263800000000 ] - [ -0.0006695000000000, 0.0002583900000000, -0.0021400000000000 ] - [ 0.0204703600000000, -0.0329668400000000, -0.0071104000000000 ] - [ 0.0002545100000000, -0.0003233600000000, 0.0008455700000000 ] - [ 0.0004744500000000, -0.0002677000000000, 0.0009579500000000 ] - [ -0.0000247700000000, -0.0004463100000000, 0.0003007900000000 ] - [ 0.0003837600000000, 0.0000182800000000, 0.0010597000000000 ] - [ 0.0001667300000000, -0.0002680900000000, 0.0005453700000000 ] - [ 0.0004396400000000, -0.0002866100000000, 0.0006413700000000 ] - [ 0.0000621200000000, -0.0006496200000000, 0.0005464500000000 ] - [ 0.0006554200000000, -0.0004371800000000, 0.0010802000000000 ] - [ 0.0002290600000000, -0.0004444800000000, 0.0004284500000000 ] - [ -0.0004557700000000, 0.0001790600000000, -0.0010702800000000 ] - [ -0.0002191700000000, 0.0012590100000000, -0.0011054700000000 ] - [ -0.0000677100000000, 0.0003593100000000, -0.0003289900000000 ] - [ 0.0003962900000000, 0.0003881200000000, 0.0009847300000000 ] - [ 0.0005022700000000, 0.0003857900000000, 0.0010851900000000 ] - [ 0.0006404700000000, 0.0004022200000000, 0.0012674800000000 ] - [ 0.0029055700000000, 0.0011145700000000, 0.0037241400000000 ] - [ -0.0003298900000000, 0.0005941300000000, -0.0007992000000000 ] - [ -0.0013500300000000, 0.0019538800000000, 0.0017255200000000 ] - [ -0.0003918200000000, 0.0002874500000000, -0.0001101400000000 ] - [ 0.0006954100000000, 0.0003619700000000, 0.0015181300000000 ] - [ 0.0005762700000000, 0.0002328100000000, 0.0014496500000000 ]- atom: 73 displacement: [ 0.0037952304666203, 0.0000000000000000, -0.0092518228314877 ] forces: - [ -0.0011958700000000, 0.0003737800000000, -0.0005633900000000 ] - [ 0.0013812100000000, 0.0007067200000000, -0.0000179000000000 ] - [ -0.0002394600000000, -0.0002167500000000, -0.0001467100000000 ] - [ -0.0002364100000000, -0.0003704900000000, 0.0006584000000000 ] - [ -0.0001682800000000, -0.0002754000000000, 0.0004435700000000 ] - [ 0.0000224600000000, -0.0003647200000000, 0.0006295200000000 ] - [ 0.0005638200000000, 0.0001191800000000, -0.0033076500000000 ] - [ -0.0002719500000000, -0.0002233500000000, -0.0005043700000000 ] - [ 0.0020408200000000, 0.0003359400000000, -0.0030954400000000 ] - [ 0.0000416000000000, -0.0001897700000000, 0.0002164900000000 ] - [ 0.0002497000000000, -0.0001152400000000, 0.0003695000000000 ] - [ 0.0000553100000000, -0.0000656600000000, 0.0003872700000000 ] - [ -0.0002270500000000, -0.0000699000000000, -0.0002767400000000 ] - [ 0.0005186200000000, -0.0000225800000000, -0.0002322100000000 ] - [ -0.0000879100000000, -0.0007200000000000, 0.0001653500000000 ] - [ 0.0000689900000000, 0.0004927800000000, 0.0004273800000000 ] - [ 0.0003710600000000, 0.0004043700000000, 0.0001477500000000 ] - [ -0.0000973700000000, 0.0003655700000000, 0.0001620700000000 ] - [ 0.0009061400000000, -0.0004755000000000, -0.0048442300000000 ] - [ -0.0010694500000000, 0.0006639700000000, 0.0001914100000000 ] - [ 0.0002795700000000, 0.0004767800000000, -0.0003744900000000 ] - [ -0.0003788700000000, 0.0000460800000000, 0.0006120400000000 ] - [ -0.0001005200000000, -0.0000314600000000, 0.0008107100000000 ] - [ 0.0001062100000000, 0.0000769000000000, 0.0004582700000000 ] - [ -0.0016693700000000, -0.0014507000000000, -0.0007222800000000 ] - [ -0.0001713300000000, -0.0002588400000000, -0.0004942500000000 ] - [ 0.0042832100000000, 0.0005875800000000, 0.0025170300000000 ] - [ 0.0004810200000000, 0.0007284400000000, 0.0010759900000000 ] - [ 0.0006712900000000, 0.0008714000000000, 0.0011967300000000 ] - [ 0.0001782600000000, 0.0003397300000000, 0.0005213700000000 ] - [ -0.0001468500000000, 0.0002377200000000, -0.0001318300000000 ] - [ -0.0002058700000000, 0.0002077000000000, -0.0002464700000000 ] - [ -0.0000348100000000, 0.0001151000000000, -0.0001279000000000 ] - [ 0.0000163800000000, -0.0000682600000000, 0.0002303400000000 ] - [ 0.0002689500000000, -0.0002498900000000, 0.0005033400000000 ] - [ 0.0000029100000000, -0.0000015100000000, 0.0001113200000000 ] - [ -0.0006438600000000, -0.0008372400000000, -0.0014065200000000 ] - [ -0.0003217700000000, -0.0004100000000000, -0.0007706700000000 ] - [ -0.0004022800000000, -0.0005227900000000, -0.0007578600000000 ] - [ 0.0000628100000000, 0.0001363700000000, 0.0003138400000000 ] - [ 0.0001250900000000, 0.0001805000000000, 0.0003693700000000 ] - [ 0.0002205400000000, 0.0002844000000000, 0.0005114400000000 ] - [ 0.0036529800000000, -0.0009475500000000, 0.0034279200000000 ] - [ -0.0001459700000000, 0.0002799800000000, -0.0005837000000000 ] - [ -0.0013160800000000, 0.0011109400000000, -0.0008151400000000 ] - [ 0.0001596700000000, -0.0003470200000000, 0.0005653000000000 ] - [ 0.0006146600000000, -0.0008120900000000, 0.0010406000000000 ] - [ 0.0005706100000000, -0.0008884900000000, 0.0012509200000000 ] - [ 0.0261830000000000, -0.0213517900000000, -0.0867467400000000 ] - [ -0.0017455700000000, -0.0019070900000000, -0.0031498900000000 ] - [ -0.0013811400000000, 0.0016368400000000, -0.0023787800000000 ] - [ -0.0001991400000000, 0.0000159300000000, 0.0008314400000000 ] - [ 0.0000803100000000, 0.0000134400000000, 0.0012883800000000 ] - [ 0.0001595700000000, -0.0000289900000000, 0.0014080400000000 ] - [ 0.0009795500000000, 0.0002031800000000, 0.0009857400000000 ] - [ 0.0004606700000000, 0.0002882800000000, -0.0001592100000000 ] - [ 0.0003681200000000, -0.0003085600000000, 0.0000522000000000 ] - [ 0.0006601500000000, -0.0002497700000000, 0.0006153400000000 ] - [ 0.0007772700000000, -0.0002463000000000, 0.0007310400000000 ] - [ 0.0010548100000000, -0.0001414200000000, 0.0011881900000000 ] - [ 0.0000707800000000, 0.0022758800000000, -0.0010413900000000 ] - [ 0.0002066800000000, 0.0002372600000000, -0.0005297800000000 ] - [ 0.0000102000000000, 0.0000504700000000, -0.0009648100000000 ] - [ 0.0008870500000000, 0.0000692000000000, 0.0010298600000000 ] - [ 0.0010139400000000, 0.0001082800000000, 0.0011997000000000 ] - [ 0.0008073500000000, 0.0000966700000000, 0.0008645600000000 ] - [ 0.0010766000000000, -0.0023133100000000, 0.0034263000000000 ] - [ -0.0006552400000000, 0.0001069300000000, -0.0001753100000000 ] - [ 0.0004443400000000, -0.0011532400000000, 0.0026916100000000 ] - [ 0.0004828000000000, 0.0010350800000000, 0.0025587400000000 ] - [ 0.0011363900000000, 0.0011961400000000, 0.0032391300000000 ] - [ -0.0006665600000000, -0.0000157700000000, -0.0001904700000000 ] - [ 0.0003417700000000, 0.0306456800000000, 0.0871909900000000 ] - [ 0.0015391200000000, 0.0008739000000000, 0.0006473400000000 ] - [ 0.0015489200000000, -0.0008359800000000, 0.0006513200000000 ] - [ 0.0001725300000000, -0.0000212200000000, -0.0006541400000000 ] - [ 0.0000034800000000, -0.0000095000000000, -0.0007788500000000 ] - [ -0.0000298200000000, 0.0000043700000000, -0.0007929800000000 ] - [ -0.0000802500000000, -0.0002455700000000, -0.0001851600000000 ] - [ -0.0002608900000000, -0.0002884700000000, 0.0003750800000000 ] - [ 0.0000144000000000, 0.0001211500000000, 0.0002985500000000 ] - [ -0.0000477100000000, 0.0001519900000000, 0.0000455800000000 ] - [ -0.0002078400000000, 0.0001392300000000, 0.0000472700000000 ] - [ -0.0002557600000000, 0.0000451100000000, -0.0001050800000000 ] - [ 0.0006248800000000, -0.0024382100000000, 0.0006023500000000 ] - [ 0.0000883600000000, -0.0001265000000000, 0.0005074300000000 ] - [ -0.0004800600000000, -0.0000757600000000, 0.0012943700000000 ] - [ -0.0001216200000000, 0.0000295400000000, -0.0001260700000000 ] - [ -0.0002407700000000, 0.0000097700000000, -0.0001545300000000 ] - [ -0.0001251300000000, -0.0000086600000000, -0.0000513000000000 ] - [ 0.0000216200000000, 0.0016399600000000, -0.0009599700000000 ] - [ 0.0001618400000000, -0.0000137200000000, -0.0002596100000000 ] - [ -0.0002121300000000, 0.0008455400000000, -0.0010942400000000 ] - [ 0.0001374600000000, -0.0008144900000000, -0.0009190600000000 ] - [ -0.0005549900000000, -0.0010756400000000, -0.0012414000000000 ] - [ 0.0001897400000000, 0.0000415500000000, -0.0002477900000000 ] - [ -0.0161532200000000, -0.0424923600000000, 0.0033049600000000 ] - [ 0.0003852100000000, 0.0009151600000000, 0.0018174700000000 ] - [ 0.0006522200000000, -0.0005143700000000, 0.0011505100000000 ] - [ 0.0000090100000000, -0.0001483700000000, -0.0009786500000000 ] - [ -0.0003937000000000, -0.0000286600000000, -0.0014130200000000 ] - [ -0.0003897700000000, -0.0000056300000000, -0.0015869300000000 ] - [ -0.0004577000000000, 0.0012992100000000, 0.0004515600000000 ] - [ -0.0000514100000000, -0.0000274500000000, 0.0008213600000000 ] - [ 0.0003069700000000, 0.0003558100000000, 0.0005417700000000 ] - [ -0.0001783100000000, -0.0000084200000000, -0.0002355000000000 ] - [ -0.0003338900000000, 0.0000098000000000, -0.0003090700000000 ] - [ -0.0004492900000000, 0.0000166000000000, -0.0005666700000000 ] - [ -0.0000297500000000, -0.0004475700000000, 0.0003836900000000 ] - [ 0.0000636900000000, 0.0001275300000000, 0.0006261000000000 ] - [ 0.0000149000000000, 0.0006494800000000, 0.0008342400000000 ] - [ -0.0002472700000000, -0.0001277100000000, -0.0003734000000000 ] - [ -0.0005198100000000, -0.0000983100000000, -0.0005610600000000 ] - [ -0.0002687100000000, -0.0001045600000000, -0.0002029700000000 ] - [ 0.0019111200000000, 0.0022739900000000, -0.0040424700000000 ] - [ 0.0002973900000000, 0.0001689900000000, 0.0000348800000000 ] - [ -0.0022815900000000, 0.0012160000000000, -0.0028835900000000 ] - [ -0.0002566000000000, 0.0000819100000000, -0.0016496900000000 ] - [ -0.0008709900000000, 0.0002140100000000, -0.0023756400000000 ] - [ 0.0002251300000000, -0.0000826500000000, -0.0004806000000000 ] - [ 0.0008000100000000, 0.0002450400000000, 0.0012610100000000 ] - [ 0.0002051100000000, -0.0010718800000000, 0.0012802600000000 ] - [ -0.0210736700000000, 0.0320927500000000, 0.0065399100000000 ] - [ -0.0007589400000000, -0.0004876100000000, -0.0017150000000000 ] - [ -0.0009442500000000, -0.0005551700000000, -0.0018156200000000 ] - [ -0.0004269800000000, -0.0003575800000000, -0.0011622100000000 ] - [ 0.0000654400000000, -0.0008260600000000, -0.0002036000000000 ] - [ 0.0003007700000000, -0.0005541500000000, 0.0003070300000000 ] - [ 0.0000675800000000, -0.0005263000000000, 0.0002312700000000 ] - [ 0.0003884300000000, -0.0001565700000000, 0.0003167300000000 ] - [ -0.0001875300000000, -0.0003900400000000, -0.0002248800000000 ] - [ 0.0002767900000000, -0.0003684500000000, 0.0004440000000000 ] - [ 0.0009096600000000, 0.0006091400000000, 0.0019347300000000 ] - [ 0.0006881100000000, -0.0004480600000000, 0.0019666900000000 ] - [ 0.0005746500000000, 0.0004503500000000, 0.0012005300000000 ] - [ 0.0000543200000000, 0.0004159300000000, -0.0001240900000000 ] - [ -0.0000339500000000, 0.0004356700000000, -0.0002307700000000 ] - [ -0.0001340600000000, 0.0004098900000000, -0.0003961800000000 ] - [ -0.0034213500000000, -0.0002437100000000, -0.0046256600000000 ] - [ -0.0001387400000000, 0.0002292800000000, -0.0000539600000000 ] - [ 0.0008867000000000, -0.0011263600000000, -0.0025499600000000 ] - [ -0.0001123000000000, 0.0005260800000000, -0.0007615600000000 ] - [ -0.0011548900000000, 0.0004633900000000, -0.0023606300000000 ] - [ -0.0010362000000000, 0.0005738400000000, -0.0023248300000000 ]- atom: 97 displacement: [ 0.0099999690333460, 0.0000000000000000, -0.0000248863842565 ] forces: - [ 0.0044899800000000, -0.0019809600000000, 0.0004979100000000 ] - [ 0.0040883400000000, 0.0015252700000000, 0.0008479800000000 ] - [ -0.0013248200000000, -0.0003394700000000, 0.0004262800000000 ] - [ -0.0001150300000000, -0.0001861600000000, -0.0001393300000000 ] - [ -0.0002136700000000, -0.0002197900000000, -0.0000641300000000 ] - [ -0.0000249000000000, -0.0000914900000000, -0.0004875300000000 ] - [ 0.0013456100000000, 0.0008998800000000, 0.0016651700000000 ] - [ -0.0007231800000000, -0.0000800600000000, 0.0001912700000000 ] - [ -0.0004069600000000, -0.0012925400000000, 0.0005570100000000 ] - [ 0.0000509000000000, -0.0002310800000000, -0.0003497200000000 ] - [ 0.0002070600000000, -0.0003331700000000, -0.0007262500000000 ] - [ 0.0001267600000000, -0.0002225200000000, -0.0004588900000000 ] - [ 0.0000395000000000, -0.0000070400000000, 0.0005147700000000 ] - [ -0.0005666500000000, 0.0006132100000000, -0.0003186100000000 ] - [ 0.0010616600000000, 0.0018300900000000, -0.0011562800000000 ] - [ 0.0010261100000000, -0.0001305200000000, -0.0005743100000000 ] - [ -0.0004530400000000, -0.0002719600000000, -0.0006367600000000 ] - [ -0.0001738400000000, 0.0002509000000000, 0.0000037500000000 ] - [ 0.0002496600000000, -0.0011671100000000, -0.0008953500000000 ] - [ -0.0000447400000000, 0.0003712400000000, 0.0005421300000000 ] - [ -0.0007396700000000, -0.0002107800000000, 0.0001447000000000 ] - [ -0.0003167800000000, 0.0001975900000000, 0.0002227900000000 ] - [ 0.0006558400000000, 0.0007890300000000, -0.0006940300000000 ] - [ -0.0006470600000000, 0.0006809800000000, -0.0003010900000000 ] - [ 0.0018292500000000, 0.0019802200000000, 0.0025982400000000 ] - [ -0.0006229700000000, -0.0003289400000000, -0.0003357800000000 ] - [ -0.0071051700000000, -0.0080691800000000, -0.0034476600000000 ] - [ 0.0004590800000000, 0.0002240400000000, 0.0002329200000000 ] - [ -0.0011266500000000, -0.0016435600000000, -0.0022915800000000 ] - [ -0.0002449800000000, -0.0002131700000000, -0.0003179900000000 ] - [ 0.0001807600000000, -0.0001144800000000, 0.0001817200000000 ] - [ -0.0001048900000000, 0.0000893800000000, -0.0000608900000000 ] - [ -0.0003229000000000, 0.0003641400000000, -0.0005128700000000 ] - [ 0.0000446900000000, 0.0000185500000000, 0.0000602300000000 ] - [ -0.0000896700000000, 0.0000868300000000, -0.0002399900000000 ] - [ -0.0003515700000000, 0.0003059400000000, -0.0004463800000000 ] - [ 0.0006562000000000, 0.0004689400000000, 0.0009905300000000 ] - [ -0.0000395000000000, -0.0000421300000000, 0.0001567900000000 ] - [ -0.0002172100000000, -0.0000676000000000, -0.0000072500000000 ] - [ -0.0001834300000000, -0.0002494600000000, -0.0003399500000000 ] - [ -0.0002082400000000, -0.0002879000000000, -0.0004292700000000 ] - [ -0.0003045800000000, -0.0003898300000000, -0.0005941400000000 ] - [ 0.0103392500000000, 0.0101201100000000, -0.0168897700000000 ] - [ -0.0011045800000000, 0.0007886600000000, -0.0009515800000000 ] - [ -0.0006801200000000, -0.0008821000000000, 0.0012485500000000 ] - [ -0.0000313100000000, 0.0000817800000000, -0.0001952600000000 ] - [ -0.0005208800000000, 0.0007070500000000, -0.0009987300000000 ] - [ -0.0001548100000000, 0.0003279400000000, -0.0006632500000000 ] - [ 0.1088294700000000, 0.0464249600000000, 0.0736466700000000 ] - [ -0.0025697000000000, 0.0039104400000000, 0.0014834600000000 ] - [ -0.0025577800000000, -0.0013630600000000, -0.0020125100000000 ] - [ -0.0007975700000000, -0.0000977900000000, -0.0007430600000000 ] - [ -0.0008627900000000, -0.0006053800000000, -0.0013528800000000 ] - [ -0.0015344600000000, 0.0002226100000000, -0.0022778700000000 ] - [ 0.0011466400000000, -0.0010665400000000, 0.0017087700000000 ] - [ 0.0003682800000000, -0.0010400300000000, 0.0001640900000000 ] - [ 0.0007381800000000, 0.0003519800000000, 0.0006190500000000 ] - [ 0.0004786500000000, -0.0000598100000000, 0.0000102700000000 ] - [ 0.0002123600000000, -0.0000529600000000, -0.0005095900000000 ] - [ 0.0003811500000000, 0.0002415100000000, -0.0003043100000000 ] - [ 0.0015785500000000, -0.0012308900000000, 0.0020590600000000 ] - [ 0.0003861900000000, 0.0001100500000000, 0.0002174000000000 ] - [ 0.0005504500000000, -0.0001080700000000, 0.0002835400000000 ] - [ 0.0005107100000000, 0.0002417100000000, 0.0000218800000000 ] - [ 0.0001704200000000, 0.0002557300000000, -0.0006104100000000 ] - [ 0.0002964800000000, 0.0000981900000000, -0.0003078300000000 ] - [ -0.0004141400000000, -0.0002416900000000, -0.0007464500000000 ] - [ -0.0008110800000000, 0.0002723100000000, -0.0004498700000000 ] - [ -0.0023844800000000, 0.0015260900000000, -0.0045110300000000 ] - [ 0.0011532400000000, -0.0010804500000000, 0.0030122000000000 ] - [ -0.0062678200000000, -0.0064605000000000, -0.0096460600000000 ] - [ -0.0016269200000000, -0.0003241800000000, -0.0012808700000000 ] - [ -0.0239583700000000, 0.0157847200000000, 0.0076915400000000 ] - [ 0.0001422200000000, -0.0019082300000000, -0.0007763600000000 ] - [ 0.0009594900000000, 0.0008900200000000, -0.0001373600000000 ] - [ 0.0001935300000000, 0.0000287300000000, -0.0000542200000000 ] - [ 0.0000037000000000, 0.0002664100000000, 0.0002812400000000 ] - [ 0.0003530300000000, -0.0001968100000000, 0.0004585900000000 ] - [ -0.0012470000000000, 0.0010084600000000, 0.0001222700000000 ] - [ 0.0003905300000000, 0.0008718700000000, 0.0003282600000000 ] - [ 0.0002100700000000, -0.0003844900000000, -0.0001232700000000 ] - [ -0.0001109500000000, -0.0000139200000000, 0.0002831600000000 ] - [ 0.0000347300000000, -0.0000413700000000, 0.0004844800000000 ] - [ -0.0001954200000000, -0.0002181100000000, 0.0005265200000000 ] - [ -0.0008516300000000, 0.0011451900000000, -0.0001814700000000 ] - [ 0.0001526200000000, -0.0000418400000000, 0.0001045600000000 ] - [ 0.0000819400000000, 0.0001713700000000, 0.0001412500000000 ] - [ -0.0001832600000000, -0.0001286100000000, 0.0003288600000000 ] - [ -0.0000974700000000, -0.0001922500000000, 0.0006309200000000 ] - [ 0.0000078900000000, -0.0000562100000000, 0.0004158700000000 ] - [ -0.0003930600000000, 0.0000486600000000, -0.0000079300000000 ] - [ 0.0003971400000000, -0.0001069500000000, -0.0002203300000000 ] - [ 0.0007152500000000, -0.0008321900000000, 0.0011186300000000 ] - [ 0.0001783900000000, 0.0003354200000000, -0.0020991000000000 ] - [ 0.0010072500000000, 0.0025669500000000, 0.0027429300000000 ] - [ 0.0008132900000000, 0.0002445000000000, -0.0000943600000000 ] - [ -0.1181240900000000, -0.0584776300000000, -0.1382771000000000 ] - [ 0.0027731200000000, -0.0014637200000000, -0.0015590600000000 ] - [ 0.0027204300000000, 0.0010940300000000, 0.0001340400000000 ] - [ 0.0002656100000000, 0.0000168400000000, 0.0002174100000000 ] - [ 0.0006138800000000, -0.0000450900000000, 0.0008915700000000 ] - [ 0.0005873600000000, 0.0002008700000000, 0.0011869200000000 ] - [ -0.0009714100000000, 0.0004505300000000, -0.0013031800000000 ] - [ -0.0000751400000000, 0.0000969900000000, -0.0001127100000000 ] - [ 0.0000550600000000, -0.0000205300000000, -0.0000143600000000 ] - [ -0.0000626900000000, 0.0000211100000000, 0.0004530500000000 ] - [ 0.0000499300000000, -0.0000980700000000, 0.0007688800000000 ] - [ 0.0000278700000000, -0.0000854300000000, 0.0007725000000000 ] - [ -0.0007131900000000, 0.0000698300000000, -0.0005265500000000 ] - [ 0.0000464200000000, 0.0000205100000000, 0.0001382500000000 ] - [ 0.0000446400000000, -0.0003096400000000, 0.0004351100000000 ] - [ -0.0002197000000000, 0.0000405700000000, 0.0002252000000000 ] - [ -0.0000576400000000, 0.0002681800000000, 0.0007253000000000 ] - [ 0.0001830700000000, 0.0000638800000000, 0.0005906900000000 ] - [ -0.0013263100000000, -0.0008048600000000, -0.0005349500000000 ] - [ 0.0008039500000000, 0.0000723800000000, 0.0000162800000000 ] - [ 0.0036451200000000, 0.0024212400000000, 0.0049799200000000 ] - [ -0.0013168800000000, 0.0010160000000000, -0.0014011500000000 ] - [ 0.0036637800000000, -0.0001895200000000, 0.0059410600000000 ] - [ 0.0007793800000000, -0.0000417600000000, 0.0004351800000000 ] - [ 0.0021303300000000, -0.0020325500000000, -0.0036271400000000 ] - [ 0.0011259700000000, -0.0003663200000000, 0.0004069700000000 ] - [ 0.0076466300000000, 0.0103171300000000, 0.0484557400000000 ] - [ -0.0003885800000000, -0.0006145800000000, 0.0000644800000000 ] - [ 0.0009910700000000, 0.0001773500000000, 0.0019255000000000 ] - [ 0.0001129100000000, -0.0003220300000000, 0.0000091200000000 ] - [ 0.0001013600000000, -0.0001812000000000, 0.0005720500000000 ] - [ 0.0003092700000000, -0.0003759200000000, 0.0005027900000000 ] - [ 0.0005937500000000, -0.0003741100000000, 0.0010054500000000 ] - [ 0.0000020900000000, -0.0005320200000000, 0.0000797100000000 ] - [ -0.0000415900000000, -0.0006785800000000, 0.0000139000000000 ] - [ 0.0006386600000000, -0.0002512600000000, 0.0008392000000000 ] - [ -0.0003346300000000, -0.0002782500000000, -0.0000864200000000 ] - [ -0.0001097600000000, 0.0015292700000000, -0.0010838900000000 ] - [ 0.0005639100000000, 0.0003722500000000, 0.0003356200000000 ] - [ 0.0004094300000000, 0.0003669400000000, 0.0008537400000000 ] - [ 0.0003142800000000, 0.0004575900000000, 0.0007315800000000 ] - [ 0.0005736000000000, 0.0003488600000000, 0.0011668600000000 ] - [ 0.0069680900000000, -0.0165921800000000, 0.0277410700000000 ] - [ 0.0010600400000000, 0.0002085300000000, 0.0005450000000000 ] - [ 0.0000403400000000, 0.0005479700000000, -0.0027515100000000 ] - [ -0.0001650800000000, 0.0003530500000000, -0.0000885900000000 ] - [ 0.0009844800000000, 0.0004872500000000, 0.0021505600000000 ] - [ -0.0001839500000000, 0.0002817400000000, 0.0000594900000000 ]- atom: 97 displacement: [ -0.0099999690333460, 0.0000000000000000, 0.0000248863842565 ] forces: - [ -0.0049354200000000, 0.0017313200000000, -0.0001187100000000 ] - [ -0.0041621100000000, -0.0017679200000000, -0.0005148600000000 ] - [ 0.0011397600000000, -0.0001179000000000, -0.0001291800000000 ] - [ -0.0001650900000000, -0.0002383100000000, 0.0004394000000000 ] - [ -0.0000586700000000, -0.0002465500000000, 0.0003118700000000 ] - [ -0.0001576200000000, -0.0003595100000000, 0.0007829600000000 ] - [ -0.0011381400000000, -0.0013520600000000, -0.0019558100000000 ] - [ 0.0009917100000000, -0.0003810000000000, -0.0004402200000000 ] - [ 0.0006643800000000, 0.0008603000000000, -0.0008345100000000 ] - [ 0.0001302900000000, -0.0002195500000000, 0.0000494800000000 ] - [ 0.0000639600000000, -0.0001328300000000, 0.0004741700000000 ] - [ 0.0001561900000000, -0.0002007500000000, 0.0001555600000000 ] - [ 0.0001433600000000, 0.0004544400000000, -0.0008064600000000 ] - [ 0.0008325000000000, -0.0001470100000000, 0.0000727900000000 ] - [ -0.0007749100000000, -0.0014013600000000, 0.0008489400000000 ] - [ -0.0008458300000000, 0.0005789200000000, 0.0002695100000000 ] - [ 0.0007253500000000, 0.0007374400000000, 0.0003861200000000 ] - [ 0.0004568900000000, 0.0001707900000000, -0.0003083000000000 ] - [ -0.0005214400000000, 0.0015727300000000, 0.0011694800000000 ] - [ -0.0002236400000000, 0.0000965800000000, -0.0002900000000000 ] - [ 0.0005472200000000, 0.0006596300000000, 0.0001526000000000 ] - [ 0.0000357300000000, 0.0002274000000000, 0.0000769700000000 ] - [ -0.0009296600000000, -0.0003232000000000, 0.0009442100000000 ] - [ 0.0004666900000000, -0.0002305200000000, 0.0005963900000000 ] - [ -0.0016689600000000, -0.0017724100000000, -0.0023986000000000 ] - [ 0.0007664800000000, 0.0005195600000000, 0.0005134800000000 ] - [ 0.0072546000000000, 0.0082203500000000, 0.0035193400000000 ] - [ -0.0003175700000000, -0.0000399600000000, -0.0000665500000000 ] - [ 0.0012747900000000, 0.0018340400000000, 0.0024663300000000 ] - [ 0.0003933100000000, 0.0003988800000000, 0.0004888100000000 ] - [ -0.0003280900000000, 0.0003003700000000, -0.0003551500000000 ] - [ -0.0000395800000000, 0.0000969000000000, -0.0001111800000000 ] - [ 0.0001752200000000, -0.0001743600000000, 0.0003358400000000 ] - [ -0.0001944200000000, 0.0001692600000000, -0.0002357700000000 ] - [ -0.0000549500000000, 0.0000994600000000, 0.0000666700000000 ] - [ 0.0002056400000000, -0.0001171800000000, 0.0002711400000000 ] - [ -0.0008044900000000, -0.0006582200000000, -0.0011619700000000 ] - [ -0.0001044800000000, -0.0001454400000000, -0.0003281800000000 ] - [ 0.0000712900000000, -0.0001208200000000, -0.0001648800000000 ] - [ 0.0000337400000000, 0.0000603500000000, 0.0001634900000000 ] - [ 0.0000614000000000, 0.0000982400000000, 0.0002526900000000 ] - [ 0.0001580700000000, 0.0001995900000000, 0.0004176900000000 ] - [ -0.0100448500000000, -0.0103990600000000, 0.0173000300000000 ] - [ 0.0012421300000000, -0.0009649000000000, 0.0011096000000000 ] - [ 0.0008418100000000, 0.0006989900000000, -0.0010756200000000 ] - [ 0.0001761600000000, -0.0002695400000000, 0.0003675100000000 ] - [ 0.0006611600000000, -0.0008878300000000, 0.0011641800000000 ] - [ 0.0003041200000000, -0.0005150300000000, 0.0008355900000000 ] - [ -0.1091786200000000, -0.0473341100000000, -0.0752295100000000 ] - [ 0.0014330200000000, -0.0040705400000000, -0.0019055200000000 ] - [ 0.0014441900000000, 0.0011946600000000, 0.0016044900000000 ] - [ -0.0003135300000000, -0.0001056200000000, 0.0003047300000000 ] - [ -0.0002542300000000, 0.0003996000000000, 0.0009097100000000 ] - [ 0.0004158000000000, -0.0004301800000000, 0.0018341500000000 ] - [ -0.0000243100000000, 0.0008427900000000, -0.0012562300000000 ] - [ 0.0007443500000000, 0.0008240400000000, 0.0002720400000000 ] - [ 0.0003707600000000, -0.0005657200000000, -0.0001821500000000 ] - [ 0.0006391500000000, -0.0001457800000000, 0.0004288500000000 ] - [ 0.0008968300000000, -0.0001542100000000, 0.0009380100000000 ] - [ 0.0007260700000000, -0.0004452200000000, 0.0007326300000000 ] - [ -0.0004538200000000, 0.0014183400000000, -0.0016084500000000 ] - [ 0.0007262400000000, 0.0000941600000000, 0.0002189700000000 ] - [ 0.0005642000000000, 0.0002884100000000, 0.0001533200000000 ] - [ 0.0006047800000000, -0.0000368200000000, 0.0004134400000000 ] - [ 0.0009399500000000, -0.0000511800000000, 0.0010397800000000 ] - [ 0.0008113400000000, 0.0001045600000000, 0.0007371300000000 ] - [ -0.0006935700000000, 0.0004506200000000, 0.0003130700000000 ] - [ -0.0003009200000000, -0.0000656100000000, 0.0000197000000000 ] - [ 0.0012537600000000, -0.0012954200000000, 0.0040392800000000 ] - [ -0.0022683200000000, 0.0013057400000000, -0.0034656500000000 ] - [ 0.0051512700000000, 0.0067367800000000, 0.0092267700000000 ] - [ 0.0005063900000000, 0.0005299200000000, 0.0008319100000000 ] - [ 0.0244534700000000, -0.0153976200000000, -0.0079383200000000 ] - [ 0.0000875200000000, 0.0019311800000000, 0.0003176300000000 ] - [ -0.0007019500000000, -0.0008629900000000, -0.0003232300000000 ] - [ 0.0000443300000000, 0.0000308600000000, -0.0003922300000000 ] - [ 0.0002307600000000, -0.0002223800000000, -0.0007349600000000 ] - [ -0.0001081800000000, 0.0002485200000000, -0.0009081500000000 ] - [ 0.0009998800000000, -0.0009445300000000, 0.0003262300000000 ] - [ -0.0006210200000000, -0.0008204700000000, 0.0001295300000000 ] - [ -0.0004495500000000, 0.0004506700000000, 0.0005720000000000 ] - [ -0.0001350300000000, 0.0000635700000000, 0.0001686600000000 ] - [ -0.0002649800000000, 0.0000854500000000, -0.0000263200000000 ] - [ -0.0000425000000000, 0.0002777800000000, -0.0000758300000000 ] - [ 0.0005966500000000, -0.0011801600000000, 0.0006321300000000 ] - [ -0.0003841100000000, -0.0000013100000000, 0.0003503900000000 ] - [ -0.0003135300000000, -0.0002076600000000, 0.0003068800000000 ] - [ -0.0000616900000000, 0.0000792900000000, 0.0001245900000000 ] - [ -0.0001344500000000, 0.0001492800000000, -0.0001726200000000 ] - [ -0.0002463200000000, -0.0000031800000000, 0.0000348700000000 ] - [ 0.0006282400000000, -0.0001132200000000, -0.0004421300000000 ] - [ -0.0001633200000000, 0.0000615800000000, -0.0002383500000000 ] - [ -0.0004682600000000, 0.0007686300000000, -0.0015629600000000 ] - [ 0.0000506000000000, -0.0004044500000000, 0.0016679500000000 ] - [ -0.0007722300000000, -0.0026357000000000, -0.0031887600000000 ] - [ -0.0005684400000000, -0.0002951800000000, -0.0003538000000000 ] - [ 0.1170264500000000, 0.0586470000000000, 0.1388860600000000 ] - [ -0.0024338600000000, 0.0014368800000000, 0.0011443600000000 ] - [ -0.0024956200000000, -0.0011201600000000, -0.0005671100000000 ] - [ 0.0000133600000000, -0.0000481900000000, -0.0006330400000000 ] - [ -0.0003025000000000, 0.0000327500000000, -0.0012882300000000 ] - [ -0.0003301900000000, -0.0002105900000000, -0.0015958800000000 ] - [ 0.0007099000000000, -0.0004463800000000, 0.0017007500000000 ] - [ -0.0002346900000000, -0.0001043900000000, 0.0005147100000000 ] - [ -0.0003325100000000, -0.0000067600000000, 0.0004279400000000 ] - [ -0.0001951000000000, -0.0000300900000000, -0.0000387900000000 ] - [ -0.0003546500000000, 0.0000882800000000, -0.0003593500000000 ] - [ -0.0003052200000000, 0.0000538700000000, -0.0003490300000000 ] - [ 0.0004523800000000, -0.0000563600000000, 0.0009362200000000 ] - [ -0.0003530500000000, -0.0000097900000000, 0.0002643100000000 ] - [ -0.0003203800000000, 0.0003472700000000, -0.0000113000000000 ] - [ -0.0000364000000000, -0.0000297700000000, 0.0001899500000000 ] - [ -0.0002478900000000, -0.0002561300000000, -0.0003176500000000 ] - [ -0.0004609700000000, -0.0000316200000000, -0.0001686900000000 ] - [ 0.0015904300000000, 0.0008245900000000, 0.0001104200000000 ] - [ -0.0004946700000000, -0.0000634000000000, -0.0004269800000000 ] - [ -0.0033711300000000, -0.0024175700000000, -0.0053512500000000 ] - [ 0.0016041800000000, -0.0009930400000000, 0.0009941600000000 ] - [ -0.0033565300000000, 0.0001840600000000, -0.0063593700000000 ] - [ -0.0005208700000000, 0.0000500400000000, -0.0008406800000000 ] - [ -0.0025900900000000, 0.0012033500000000, 0.0027074200000000 ] - [ -0.0015925600000000, -0.0004585900000000, -0.0012740000000000 ] - [ -0.0078446600000000, -0.0111109100000000, -0.0497863700000000 ] - [ -0.0001136600000000, -0.0001978400000000, -0.0009278700000000 ] - [ -0.0014598300000000, -0.0010016400000000, -0.0027784300000000 ] - [ -0.0005635200000000, -0.0004822600000000, -0.0008654500000000 ] - [ 0.0003490300000000, -0.0006200700000000, 0.0002927200000000 ] - [ 0.0001575100000000, -0.0004451100000000, 0.0003507300000000 ] - [ -0.0000834800000000, -0.0004373900000000, -0.0001284600000000 ] - [ 0.0004504600000000, -0.0002698800000000, 0.0007827400000000 ] - [ 0.0005079000000000, -0.0001404400000000, 0.0008371900000000 ] - [ -0.0001316700000000, -0.0005589100000000, 0.0000352200000000 ] - [ 0.0007844100000000, 0.0010889400000000, 0.0009380900000000 ] - [ 0.0005724700000000, -0.0006980700000000, 0.0019258500000000 ] - [ -0.0000563000000000, 0.0004412200000000, 0.0005333600000000 ] - [ 0.0000425000000000, 0.0004370500000000, 0.0000107600000000 ] - [ 0.0001555200000000, 0.0003640800000000, 0.0001262100000000 ] - [ -0.0000651500000000, 0.0004639100000000, -0.0002911900000000 ] - [ -0.0075910700000000, 0.0172652800000000, -0.0285235100000000 ] - [ -0.0015224400000000, 0.0006083400000000, -0.0013875600000000 ] - [ -0.0005036000000000, 0.0002467400000000, 0.0019010700000000 ] - [ -0.0003426300000000, 0.0004583100000000, -0.0007843700000000 ] - [ -0.0014404500000000, 0.0003328700000000, -0.0029849100000000 ] - [ -0.0002699200000000, 0.0005210400000000, -0.0009213600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000972300000000, 0.0014899400000000, 0.0001895100000000 ] - [ 0.0006105700000000, 0.0017227800000000, -0.0002483500000000 ] - [ -0.0001407100000000, -0.0002297500000000, 0.0001396700000000 ] - [ -0.0000479400000000, -0.0001045400000000, 0.0000386700000000 ] - [ -0.0001642200000000, -0.0001744200000000, 0.0000502200000000 ] - [ -0.0001507700000000, -0.0000920300000000, 0.0000447800000000 ] - [ 0.0028543600000000, -0.0025714500000000, 0.0010546400000000 ] - [ 0.0001284300000000, -0.0003375400000000, -0.0000418300000000 ] - [ -0.0026441600000000, -0.0021562200000000, 0.0019306200000000 ] - [ 0.0000653000000000, -0.0002867600000000, -0.0002501900000000 ] - [ 0.0000690600000000, -0.0003664900000000, -0.0002325100000000 ] - [ 0.0002360900000000, -0.0003233400000000, -0.0003141100000000 ] - [ -0.0000258700000000, 0.0002526500000000, 0.0003676200000000 ] - [ -0.0000047000000000, 0.0003709900000000, 0.0000501100000000 ] - [ 0.0004874400000000, 0.0006925400000000, 0.0007165400000000 ] - [ -0.0001588600000000, 0.0002394900000000, -0.0012524200000000 ] - [ 0.0001092300000000, 0.0004217700000000, -0.0004228400000000 ] - [ 0.0004096100000000, 0.0001692200000000, -0.0004788000000000 ] - [ 0.0000880700000000, -0.0017895300000000, -0.0032112300000000 ] - [ 0.0003102600000000, 0.0001042600000000, 0.0001042200000000 ] - [ -0.0007017600000000, -0.0000089400000000, -0.0000075200000000 ] - [ -0.0000792600000000, 0.0001813100000000, 0.0000561300000000 ] - [ -0.0005034800000000, -0.0002231500000000, 0.0004499800000000 ] - [ 0.0001978300000000, -0.0000901200000000, 0.0001496100000000 ] - [ 0.0012354000000000, 0.0014942000000000, 0.0013469900000000 ] - [ 0.0000503200000000, 0.0002877800000000, 0.0002606800000000 ] - [ -0.0005883400000000, 0.0019504300000000, -0.0010036200000000 ] - [ -0.0001929500000000, -0.0000238500000000, -0.0002678300000000 ] - [ 0.0006914700000000, 0.0012560000000000, 0.0010519700000000 ] - [ 0.0001100000000000, 0.0000663100000000, -0.0000309900000000 ] - [ 0.0002290100000000, -0.0003505100000000, 0.0003498700000000 ] - [ 0.0000024300000000, -0.0000338400000000, 0.0000804800000000 ] - [ -0.0000300500000000, -0.0000932200000000, 0.0000383300000000 ] - [ -0.0000336400000000, 0.0000656300000000, -0.0002392100000000 ] - [ -0.0003401500000000, 0.0002287000000000, -0.0005853200000000 ] - [ -0.0001352200000000, 0.0001623800000000, -0.0002698100000000 ] - [ -0.0002491400000000, -0.0011801700000000, -0.0003783300000000 ] - [ -0.0003731700000000, -0.0005789300000000, -0.0004682300000000 ] - [ -0.0000259100000000, -0.0001392800000000, 0.0000234600000000 ] - [ -0.0001044400000000, -0.0001696800000000, -0.0002068300000000 ] - [ -0.0001762700000000, -0.0002356300000000, -0.0002899600000000 ] - [ -0.0001589200000000, -0.0002335100000000, -0.0002747600000000 ] - [ 0.0067018200000000, 0.0219348100000000, 0.0140261500000000 ] - [ -0.0001505300000000, 0.0005333500000000, -0.0006234900000000 ] - [ 0.0003203200000000, 0.0005902300000000, 0.0000023400000000 ] - [ 0.0000553500000000, -0.0000264800000000, -0.0000270000000000 ] - [ -0.0001251200000000, 0.0001601200000000, -0.0002251000000000 ] - [ 0.0000147600000000, 0.0000573300000000, -0.0001386500000000 ] - [ 0.0509814600000000, 0.1930886100000000, 0.1251858300000000 ] - [ -0.0012289400000000, 0.0043477900000000, 0.0003410500000000 ] - [ -0.0003996100000000, 0.0028970800000000, 0.0017132300000000 ] - [ -0.0006646800000000, -0.0000834000000000, -0.0005570300000000 ] - [ -0.0008591400000000, 0.0000748800000000, -0.0006436200000000 ] - [ -0.0004364300000000, -0.0003578600000000, -0.0000765100000000 ] - [ 0.0005872000000000, -0.0064614600000000, 0.0018357700000000 ] - [ 0.0004511000000000, -0.0014113800000000, 0.0003519500000000 ] - [ 0.0006227600000000, -0.0016207600000000, 0.0005645200000000 ] - [ 0.0005588400000000, -0.0001340300000000, 0.0001907400000000 ] - [ 0.0004560200000000, -0.0000863800000000, 0.0000342300000000 ] - [ 0.0003883200000000, -0.0001687600000000, -0.0000602700000000 ] - [ 0.0013213400000000, -0.0038337200000000, 0.0018892300000000 ] - [ 0.0006673800000000, -0.0003726900000000, 0.0005998100000000 ] - [ 0.0024133700000000, -0.0038474600000000, 0.0030583900000000 ] - [ 0.0003179100000000, -0.0001806600000000, -0.0003735800000000 ] - [ 0.0003179100000000, -0.0002863400000000, -0.0003867800000000 ] - [ 0.0004543200000000, -0.0000597800000000, -0.0001006000000000 ] - [ -0.0009704000000000, 0.0012788700000000, -0.0012891700000000 ] - [ -0.0005088400000000, 0.0002634100000000, -0.0001220000000000 ] - [ -0.0010140900000000, 0.0007129100000000, -0.0013297900000000 ] - [ -0.0002977900000000, 0.0047667600000000, -0.0003847700000000 ] - [ 0.0029576600000000, 0.0150948100000000, 0.0051418600000000 ] - [ -0.0004256900000000, 0.0005962200000000, -0.0003293800000000 ] - [ 0.0178006200000000, 0.0670591400000000, 0.0523917200000000 ] - [ -0.0008543900000000, -0.0023741300000000, -0.0000650500000000 ] - [ 0.0012485300000000, -0.0017628700000000, -0.0007544900000000 ] - [ 0.0000951700000000, 0.0000153700000000, -0.0000915300000000 ] - [ 0.0002858400000000, -0.0000795700000000, -0.0001583300000000 ] - [ 0.0000370500000000, 0.0001613300000000, -0.0002370100000000 ] - [ -0.0002755100000000, 0.0060265100000000, 0.0015952700000000 ] - [ 0.0003625500000000, 0.0009903300000000, 0.0004020800000000 ] - [ -0.0006230200000000, 0.0011170700000000, 0.0004247200000000 ] - [ -0.0001357000000000, 0.0000274200000000, 0.0002159800000000 ] - [ -0.0000533400000000, 0.0000122300000000, 0.0002691200000000 ] - [ -0.0000843500000000, 0.0000995900000000, 0.0002730000000000 ] - [ -0.0012696700000000, 0.0030901000000000, 0.0002339900000000 ] - [ -0.0001112100000000, 0.0003197100000000, 0.0000970300000000 ] - [ 0.0002968400000000, 0.0038941300000000, -0.0003003300000000 ] - [ -0.0000703600000000, 0.0001845900000000, 0.0003902100000000 ] - [ -0.0000507600000000, 0.0002961000000000, 0.0003665800000000 ] - [ -0.0001480900000000, 0.0000884200000000, 0.0003425800000000 ] - [ 0.0000762300000000, -0.0008832700000000, -0.0001711900000000 ] - [ 0.0001680200000000, -0.0001363000000000, -0.0003025200000000 ] - [ 0.0002770600000000, -0.0006460700000000, 0.0000645600000000 ] - [ -0.0013594000000000, -0.0026199000000000, 0.0015981400000000 ] - [ 0.0006859800000000, -0.0060504500000000, 0.0012974300000000 ] - [ 0.0000060800000000, -0.0003692700000000, -0.0000974400000000 ] - [ -0.0574430000000000, -0.2775019200000000, -0.1601843200000000 ] - [ 0.0012587000000000, -0.0016544300000000, -0.0009688400000000 ] - [ -0.0013224600000000, -0.0016511100000000, -0.0014979200000000 ] - [ 0.0001721900000000, 0.0000133200000000, 0.0000076100000000 ] - [ 0.0003612600000000, -0.0000690700000000, 0.0001423000000000 ] - [ 0.0000889700000000, -0.0000678000000000, -0.0001626300000000 ] - [ -0.0005806600000000, 0.0031132400000000, -0.0016021900000000 ] - [ -0.0002535800000000, 0.0007364100000000, 0.0001050200000000 ] - [ -0.0001348500000000, 0.0006019000000000, -0.0003300500000000 ] - [ -0.0001545400000000, 0.0000522200000000, 0.0002921400000000 ] - [ -0.0000603100000000, 0.0000323300000000, 0.0003850900000000 ] - [ -0.0000701700000000, 0.0000360600000000, 0.0004063100000000 ] - [ -0.0000678100000000, 0.0011955300000000, -0.0002209700000000 ] - [ -0.0001388300000000, 0.0001229300000000, -0.0000078800000000 ] - [ -0.0004717400000000, 0.0009015900000000, -0.0001221700000000 ] - [ -0.0000920500000000, 0.0002565900000000, 0.0006914800000000 ] - [ 0.0001115400000000, 0.0001754000000000, 0.0007583600000000 ] - [ -0.0000910800000000, 0.0000936300000000, 0.0004895600000000 ] - [ -0.0008626700000000, -0.0012212900000000, 0.0006364600000000 ] - [ 0.0001999700000000, -0.0001256700000000, -0.0003284500000000 ] - [ 0.0003301400000000, -0.0020359700000000, -0.0001481300000000 ] - [ 0.0009593300000000, -0.0012292900000000, 0.0005096900000000 ] - [ -0.0022855300000000, -0.0020653100000000, -0.0047363100000000 ] - [ 0.0000608900000000, -0.0001267500000000, 0.0000380200000000 ] - [ 0.0009233300000000, -0.0021666800000000, -0.0015311500000000 ] - [ -0.0002397900000000, -0.0008232800000000, -0.0009233300000000 ] - [ -0.0035181600000000, -0.0233023500000000, -0.0061982700000000 ] - [ 0.0000350400000000, -0.0004777800000000, 0.0000144900000000 ] - [ -0.0006907000000000, -0.0010407300000000, -0.0010838700000000 ] - [ -0.0002310800000000, -0.0004666200000000, -0.0001602600000000 ] - [ 0.0000911800000000, 0.0000065700000000, 0.0004975000000000 ] - [ 0.0001838600000000, -0.0003157100000000, 0.0003745800000000 ] - [ 0.0003006500000000, -0.0002473000000000, 0.0004560700000000 ] - [ 0.0003088000000000, -0.0000953600000000, 0.0005741600000000 ] - [ 0.0010565500000000, 0.0014358000000000, 0.0013491300000000 ] - [ 0.0003556000000000, -0.0000508300000000, 0.0007821000000000 ] - [ -0.0012970100000000, 0.0029287700000000, -0.0020562400000000 ] - [ 0.0003512400000000, 0.0024985500000000, -0.0012272800000000 ] - [ 0.0001315500000000, 0.0006155600000000, 0.0000787600000000 ] - [ 0.0002661200000000, 0.0004153600000000, 0.0006347800000000 ] - [ 0.0003928300000000, 0.0004312700000000, 0.0007699700000000 ] - [ 0.0003968700000000, 0.0004518400000000, 0.0007712100000000 ] - [ -0.0170515400000000, 0.0051021900000000, -0.0294502700000000 ] - [ -0.0002891100000000, -0.0000076700000000, -0.0001107800000000 ] - [ -0.0001894300000000, -0.0007715400000000, -0.0015369100000000 ] - [ -0.0003377900000000, 0.0003292500000000, -0.0004032900000000 ] - [ 0.0001004400000000, 0.0003955000000000, 0.0002055200000000 ] - [ -0.0001315700000000, 0.0002829800000000, -0.0000500600000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003653400000000, -0.0017745800000000, 0.0001867800000000 ] - [ -0.0006730500000000, -0.0020408700000000, 0.0005827200000000 ] - [ -0.0000410300000000, -0.0002182500000000, 0.0001655600000000 ] - [ -0.0002320400000000, -0.0003180300000000, 0.0002687600000000 ] - [ -0.0001069500000000, -0.0002900200000000, 0.0002043100000000 ] - [ -0.0000304700000000, -0.0003567700000000, 0.0002572700000000 ] - [ -0.0026770000000000, 0.0020955400000000, -0.0013801600000000 ] - [ 0.0001429500000000, -0.0001324400000000, -0.0002150400000000 ] - [ 0.0029304800000000, 0.0017232100000000, -0.0022533500000000 ] - [ 0.0001151700000000, -0.0001663300000000, -0.0000546300000000 ] - [ 0.0002018500000000, -0.0001021000000000, -0.0000227300000000 ] - [ 0.0000451200000000, -0.0001022000000000, 0.0000070800000000 ] - [ 0.0002052300000000, 0.0002040500000000, -0.0006687000000000 ] - [ 0.0002723400000000, 0.0001016700000000, -0.0003043400000000 ] - [ -0.0001991900000000, -0.0002467900000000, -0.0010235000000000 ] - [ 0.0003392000000000, 0.0002148000000000, 0.0009350000000000 ] - [ 0.0001609300000000, 0.0000481100000000, 0.0001645100000000 ] - [ -0.0001277000000000, 0.0002575500000000, 0.0001688700000000 ] - [ -0.0003655900000000, 0.0022038000000000, 0.0035321200000000 ] - [ -0.0005842400000000, 0.0003565400000000, 0.0001534200000000 ] - [ 0.0005219200000000, 0.0004534700000000, 0.0003166100000000 ] - [ -0.0002013600000000, 0.0002391100000000, 0.0002522300000000 ] - [ 0.0002300000000000, 0.0006809600000000, -0.0001900100000000 ] - [ -0.0003765700000000, 0.0005363700000000, 0.0001552500000000 ] - [ -0.0010896900000000, -0.0013107200000000, -0.0011770400000000 ] - [ 0.0000933200000000, -0.0001017500000000, -0.0000880900000000 ] - [ 0.0006952000000000, -0.0019106000000000, 0.0011124800000000 ] - [ 0.0003376200000000, 0.0002128600000000, 0.0004416600000000 ] - [ -0.0005404800000000, -0.0010597300000000, -0.0008689000000000 ] - [ 0.0000398200000000, 0.0001219000000000, 0.0002060200000000 ] - [ -0.0003749800000000, 0.0005344100000000, -0.0005170900000000 ] - [ -0.0001473100000000, 0.0002199800000000, -0.0002519700000000 ] - [ -0.0001114900000000, 0.0002770700000000, -0.0002049300000000 ] - [ -0.0001157700000000, 0.0001230800000000, 0.0000613600000000 ] - [ 0.0001918300000000, -0.0000381500000000, 0.0004053100000000 ] - [ -0.0000109200000000, 0.0000269900000000, 0.0000937700000000 ] - [ 0.0000995500000000, 0.0009852300000000, 0.0001989900000000 ] - [ 0.0002219500000000, 0.0003848400000000, 0.0002864500000000 ] - [ -0.0001175700000000, -0.0000486300000000, -0.0001960100000000 ] - [ -0.0000446100000000, -0.0000185500000000, 0.0000320900000000 ] - [ 0.0000306400000000, 0.0000472200000000, 0.0001155100000000 ] - [ 0.0000138500000000, 0.0000450100000000, 0.0001013800000000 ] - [ -0.0061369100000000, -0.0229731600000000, -0.0131485900000000 ] - [ 0.0002974000000000, -0.0007197900000000, 0.0007958000000000 ] - [ -0.0001772300000000, -0.0007758000000000, 0.0001728900000000 ] - [ 0.0000895700000000, -0.0001615500000000, 0.0001997200000000 ] - [ 0.0002670600000000, -0.0003433800000000, 0.0003933100000000 ] - [ 0.0001357000000000, -0.0002461800000000, 0.0003134200000000 ] - [ -0.0552386300000000, -0.1969372100000000, -0.1332895800000000 ] - [ 0.0001314500000000, -0.0045464700000000, -0.0007710500000000 ] - [ -0.0007259600000000, -0.0031148800000000, -0.0021472800000000 ] - [ -0.0004443900000000, -0.0001216400000000, 0.0001237100000000 ] - [ -0.0002547700000000, -0.0002820100000000, 0.0002074900000000 ] - [ -0.0006791700000000, 0.0001481800000000, -0.0003606600000000 ] - [ 0.0005214200000000, 0.0062195700000000, -0.0014080400000000 ] - [ 0.0006579200000000, 0.0011967800000000, 0.0000770100000000 ] - [ 0.0004857100000000, 0.0014100900000000, -0.0001347500000000 ] - [ 0.0005597900000000, -0.0000707700000000, 0.0002519600000000 ] - [ 0.0006578400000000, -0.0001176700000000, 0.0004029100000000 ] - [ 0.0007249600000000, -0.0000309300000000, 0.0005011400000000 ] - [ -0.0001988500000000, 0.0040359200000000, -0.0014343500000000 ] - [ 0.0004455200000000, 0.0005776200000000, -0.0001628900000000 ] - [ -0.0012908500000000, 0.0040573700000000, -0.0025946100000000 ] - [ 0.0007976300000000, 0.0003826000000000, 0.0008077800000000 ] - [ 0.0007918600000000, 0.0004869500000000, 0.0008143200000000 ] - [ 0.0006540700000000, 0.0002613700000000, 0.0005311400000000 ] - [ -0.0001328600000000, -0.0010830200000000, 0.0008581600000000 ] - [ -0.0006047800000000, -0.0000559500000000, -0.0003134900000000 ] - [ -0.0001186400000000, -0.0004915900000000, 0.0008571400000000 ] - [ -0.0008144000000000, -0.0045287300000000, -0.0000316900000000 ] - [ -0.0039991100000000, -0.0147804500000000, -0.0054560000000000 ] - [ -0.0006899400000000, -0.0003852900000000, -0.0001082800000000 ] - [ -0.0180315500000000, -0.0686034500000000, -0.0542636300000000 ] - [ 0.0010812200000000, 0.0024160400000000, -0.0003889100000000 ] - [ -0.0010045000000000, 0.0018201700000000, 0.0003009900000000 ] - [ 0.0001429200000000, 0.0000456400000000, -0.0003569500000000 ] - [ -0.0000519100000000, 0.0001248700000000, -0.0002979900000000 ] - [ 0.0002074500000000, -0.0001080000000000, -0.0002151300000000 ] - [ 0.0000308700000000, -0.0059386000000000, -0.0011201900000000 ] - [ -0.0005896600000000, -0.0009413400000000, 0.0000572100000000 ] - [ 0.0003810800000000, -0.0010543600000000, 0.0000266200000000 ] - [ -0.0001096800000000, 0.0000208300000000, 0.0002344300000000 ] - [ -0.0001785900000000, 0.0000289600000000, 0.0001863100000000 ] - [ -0.0001545700000000, -0.0000442200000000, 0.0001738600000000 ] - [ 0.0010277900000000, -0.0031397400000000, 0.0002134300000000 ] - [ -0.0001215800000000, -0.0003621700000000, 0.0003583500000000 ] - [ -0.0005448900000000, -0.0039555200000000, 0.0007402400000000 ] - [ -0.0001747200000000, -0.0002315300000000, 0.0000629200000000 ] - [ -0.0001811000000000, -0.0003359700000000, 0.0000912600000000 ] - [ -0.0000902500000000, -0.0001467200000000, 0.0001071500000000 ] - [ 0.0001567300000000, 0.0008263700000000, -0.0002758100000000 ] - [ 0.0000650900000000, 0.0000895200000000, -0.0001538800000000 ] - [ -0.0000264700000000, 0.0005885300000000, -0.0005065800000000 ] - [ 0.0015874000000000, 0.0025376800000000, -0.0020401600000000 ] - [ -0.0004409600000000, 0.0059394600000000, -0.0017335100000000 ] - [ 0.0002379800000000, 0.0003139100000000, -0.0003541900000000 ] - [ 0.0605480100000000, 0.2830204400000000, 0.1673061200000000 ] - [ -0.0009513400000000, 0.0016352500000000, 0.0005609000000000 ] - [ 0.0015839200000000, 0.0016386800000000, 0.0010839900000000 ] - [ 0.0001062200000000, -0.0000457800000000, -0.0004258200000000 ] - [ -0.0000518900000000, 0.0000559700000000, -0.0005434000000000 ] - [ 0.0001667300000000, 0.0000574300000000, -0.0002506400000000 ] - [ 0.0003248400000000, -0.0031091200000000, 0.0020166700000000 ] - [ -0.0000506300000000, -0.0007411400000000, 0.0003049100000000 ] - [ -0.0001459500000000, -0.0006315100000000, 0.0007493300000000 ] - [ -0.0001033700000000, -0.0000611000000000, 0.0001199500000000 ] - [ -0.0002469000000000, -0.0000414300000000, 0.0000196600000000 ] - [ -0.0002097300000000, -0.0000666200000000, 0.0000109000000000 ] - [ -0.0001921800000000, -0.0011879300000000, 0.0006211400000000 ] - [ -0.0001676300000000, -0.0001134400000000, 0.0004100800000000 ] - [ 0.0001866500000000, -0.0008812800000000, 0.0005226300000000 ] - [ -0.0001647600000000, -0.0002465200000000, -0.0002737400000000 ] - [ -0.0004147200000000, -0.0001646800000000, -0.0003464900000000 ] - [ -0.0001869500000000, -0.0000625100000000, -0.0000675200000000 ] - [ 0.0011415600000000, 0.0012599600000000, -0.0010619400000000 ] - [ 0.0001087000000000, 0.0001366900000000, -0.0000765900000000 ] - [ -0.0000449300000000, 0.0020866000000000, -0.0002132300000000 ] - [ -0.0006744900000000, 0.0012520300000000, -0.0009283800000000 ] - [ 0.0025765400000000, 0.0020577700000000, 0.0043045900000000 ] - [ 0.0001957200000000, 0.0001354400000000, -0.0004508600000000 ] - [ -0.0014409400000000, 0.0013504600000000, 0.0006616100000000 ] - [ -0.0002249900000000, 0.0000041300000000, 0.0000659500000000 ] - [ 0.0033284600000000, 0.0227104100000000, 0.0058903800000000 ] - [ -0.0005406800000000, -0.0003368000000000, -0.0008850600000000 ] - [ 0.0002184900000000, 0.0002131900000000, 0.0002228300000000 ] - [ -0.0002210800000000, -0.0003389300000000, -0.0007011200000000 ] - [ 0.0003565100000000, -0.0008116300000000, 0.0003548300000000 ] - [ 0.0002829700000000, -0.0005068500000000, 0.0004762500000000 ] - [ 0.0002035000000000, -0.0005635900000000, 0.0004107800000000 ] - [ 0.0001432700000000, -0.0007071000000000, 0.0002918100000000 ] - [ -0.0005781300000000, -0.0022431800000000, -0.0004787600000000 ] - [ 0.0001528200000000, -0.0007587800000000, 0.0000962500000000 ] - [ 0.0017352700000000, -0.0021108400000000, 0.0028997200000000 ] - [ 0.0001227900000000, -0.0016672000000000, 0.0020752700000000 ] - [ 0.0003733500000000, 0.0001969900000000, 0.0007907800000000 ] - [ 0.0001852500000000, 0.0003891400000000, 0.0002276900000000 ] - [ 0.0000761800000000, 0.0003906300000000, 0.0000864300000000 ] - [ 0.0001111600000000, 0.0003606700000000, 0.0001032000000000 ] - [ 0.0165843000000000, -0.0041421500000000, 0.0286463400000000 ] - [ -0.0001815400000000, 0.0008284500000000, -0.0007446500000000 ] - [ -0.0002564400000000, 0.0015680400000000, 0.0006599600000000 ] - [ -0.0001684200000000, 0.0004837200000000, -0.0004684100000000 ] - [ -0.0005585900000000, 0.0004278200000000, -0.0010425200000000 ] - [ -0.0003220500000000, 0.0005226600000000, -0.0008132900000000 ]- atom: 97 displacement: [ -0.0037952304666203, 0.0000000000000000, 0.0092518228314877 ] forces: - [ -0.0009152600000000, -0.0002225000000000, 0.0037763300000000 ] - [ -0.0016981500000000, -0.0012174100000000, 0.0026650000000000 ] - [ 0.0000331400000000, -0.0002292400000000, 0.0009627500000000 ] - [ -0.0000379400000000, -0.0001474200000000, -0.0006504100000000 ] - [ -0.0001563700000000, -0.0002408900000000, -0.0005447000000000 ] - [ -0.0001435000000000, -0.0000555800000000, -0.0009482400000000 ] - [ 0.0014302500000000, -0.0004552200000000, 0.0034081000000000 ] - [ 0.0000494000000000, -0.0003051800000000, 0.0007669200000000 ] - [ -0.0013580600000000, -0.0010019300000000, 0.0029345100000000 ] - [ 0.0001100300000000, -0.0001924500000000, -0.0008384800000000 ] - [ 0.0000856300000000, -0.0003496300000000, -0.0011917900000000 ] - [ 0.0002096900000000, -0.0002428100000000, -0.0009147700000000 ] - [ 0.0005677700000000, 0.0006393900000000, -0.0004071100000000 ] - [ -0.0006773600000000, 0.0007483300000000, -0.0002351700000000 ] - [ 0.0005815700000000, 0.0025468400000000, -0.0020380100000000 ] - [ 0.0003140400000000, -0.0009473800000000, -0.0016296500000000 ] - [ -0.0006018300000000, -0.0004788900000000, -0.0005780000000000 ] - [ 0.0006823300000000, -0.0003163500000000, -0.0006159200000000 ] - [ 0.0005848600000000, -0.0018482200000000, -0.0018129600000000 ] - [ 0.0003139300000000, -0.0000992800000000, 0.0000706000000000 ] - [ -0.0010957100000000, -0.0004079400000000, 0.0002287700000000 ] - [ 0.0001972700000000, 0.0006519900000000, -0.0003015100000000 ] - [ 0.0003006000000000, 0.0012859000000000, -0.0011408200000000 ] - [ -0.0008159800000000, 0.0008836600000000, -0.0004056900000000 ] - [ 0.0008301100000000, 0.0001339400000000, -0.0001026100000000 ] - [ -0.0000507800000000, 0.0002143100000000, 0.0001671500000000 ] - [ -0.0028159400000000, -0.0122155700000000, -0.0105349000000000 ] - [ -0.0004552000000000, -0.0008170400000000, -0.0016091500000000 ] - [ -0.0018124500000000, -0.0023121300000000, -0.0031101200000000 ] - [ -0.0000633200000000, -0.0002388700000000, -0.0005425600000000 ] - [ -0.0001334900000000, 0.0002748200000000, -0.0004148000000000 ] - [ -0.0000849700000000, 0.0001597100000000, -0.0001953500000000 ] - [ -0.0004026100000000, 0.0004203600000000, -0.0006545700000000 ] - [ 0.0000379400000000, -0.0000198000000000, -0.0000859900000000 ] - [ -0.0003622600000000, 0.0002110600000000, -0.0005524200000000 ] - [ -0.0001753800000000, 0.0001407200000000, -0.0002417200000000 ] - [ 0.0006973800000000, 0.0004925200000000, 0.0016700700000000 ] - [ 0.0004840700000000, 0.0005616800000000, 0.0012294700000000 ] - [ 0.0002389300000000, 0.0003473100000000, 0.0008017100000000 ] - [ -0.0003319200000000, -0.0004897100000000, -0.0007803100000000 ] - [ -0.0004707000000000, -0.0006305500000000, -0.0009942200000000 ] - [ -0.0005620200000000, -0.0007190000000000, -0.0011254400000000 ] - [ -0.0216265300000000, 0.0173274500000000, -0.0062344500000000 ] - [ 0.0003422600000000, -0.0010443600000000, 0.0017651900000000 ] - [ 0.0025413000000000, -0.0010680800000000, 0.0023768500000000 ] - [ -0.0002465100000000, 0.0004564200000000, -0.0008659000000000 ] - [ -0.0010049500000000, 0.0014493800000000, -0.0020343600000000 ] - [ -0.0005326200000000, 0.0008952300000000, -0.0015328000000000 ] - [ 0.0271448100000000, 0.0872519500000000, 0.2004611900000000 ] - [ 0.0023058900000000, -0.0005487400000000, 0.0051578700000000 ] - [ -0.0002162300000000, 0.0026732900000000, 0.0044947000000000 ] - [ -0.0012126400000000, -0.0002792300000000, -0.0020522200000000 ] - [ -0.0018334500000000, -0.0004719400000000, -0.0034284500000000 ] - [ -0.0020997300000000, 0.0001973000000000, -0.0036019300000000 ] - [ 0.0015033100000000, -0.0035013200000000, 0.0031335100000000 ] - [ 0.0008554500000000, -0.0008553400000000, 0.0012529300000000 ] - [ 0.0010629500000000, -0.0013432900000000, 0.0016450300000000 ] - [ 0.0002394700000000, 0.0001756800000000, -0.0007010100000000 ] - [ -0.0000958300000000, 0.0000857500000000, -0.0012389000000000 ] - [ -0.0000358800000000, 0.0003329800000000, -0.0012227300000000 ] - [ 0.0013480800000000, -0.0008050800000000, 0.0018054200000000 ] - [ 0.0008756100000000, -0.0001930700000000, 0.0010393800000000 ] - [ 0.0014845900000000, -0.0015596000000000, 0.0017545900000000 ] - [ 0.0000560700000000, 0.0002444200000000, -0.0009859600000000 ] - [ -0.0001875900000000, 0.0003337800000000, -0.0013343800000000 ] - [ 0.0001573400000000, 0.0001882000000000, -0.0007382600000000 ] - [ -0.0011010200000000, -0.0001193500000000, -0.0027299800000000 ] - [ -0.0010245700000000, 0.0000254300000000, -0.0012467500000000 ] - [ -0.0036655000000000, 0.0027495900000000, -0.0069983100000000 ] - [ 0.0006868300000000, 0.0052428500000000, -0.0019801700000000 ] - [ -0.0069896700000000, -0.0092367100000000, -0.0135551600000000 ] - [ -0.0005523400000000, 0.0003611100000000, 0.0000597200000000 ] - [ 0.0160468600000000, 0.0401084800000000, -0.0038656800000000 ] - [ -0.0006243100000000, 0.0002984100000000, -0.0016745600000000 ] - [ 0.0011863400000000, -0.0015810900000000, -0.0017083000000000 ] - [ 0.0000891500000000, 0.0000735800000000, 0.0004796100000000 ] - [ 0.0002314600000000, 0.0000973800000000, 0.0009856100000000 ] - [ 0.0004752900000000, -0.0002001600000000, 0.0009056800000000 ] - [ -0.0001966700000000, 0.0037765100000000, -0.0001825500000000 ] - [ 0.0001353100000000, 0.0006454900000000, -0.0002448900000000 ] - [ -0.0005968900000000, 0.0009979400000000, -0.0001194600000000 ] - [ -0.0001698000000000, -0.0001727800000000, 0.0006281300000000 ] - [ 0.0001098000000000, -0.0001287400000000, 0.0007587100000000 ] - [ -0.0000875200000000, -0.0003071000000000, 0.0008857800000000 ] - [ -0.0007213700000000, 0.0009480700000000, -0.0001568100000000 ] - [ -0.0001125400000000, 0.0002476100000000, -0.0001049500000000 ] - [ 0.0002162700000000, 0.0018299600000000, -0.0002025300000000 ] - [ -0.0001495000000000, -0.0001816700000000, 0.0007458800000000 ] - [ 0.0000464700000000, -0.0002857700000000, 0.0009076100000000 ] - [ -0.0000471200000000, -0.0001421500000000, 0.0006133800000000 ] - [ -0.0003320700000000, -0.0000081700000000, 0.0008711000000000 ] - [ 0.0002389600000000, 0.0000092200000000, 0.0001367000000000 ] - [ 0.0009450100000000, -0.0014386700000000, 0.0018569000000000 ] - [ -0.0029691500000000, -0.0023058000000000, 0.0030581000000000 ] - [ 0.0027770100000000, 0.0036872100000000, 0.0025697000000000 ] - [ 0.0001400500000000, -0.0001330600000000, -0.0003971100000000 ] - [ -0.0814724200000000, -0.1258394300000000, -0.2759161800000000 ] - [ -0.0005245100000000, -0.0006495700000000, -0.0034221100000000 ] - [ -0.0021235600000000, -0.0011314600000000, -0.0040707900000000 ] - [ 0.0004889500000000, 0.0001719600000000, 0.0011656700000000 ] - [ 0.0012736600000000, 0.0000498600000000, 0.0024104000000000 ] - [ 0.0009694200000000, 0.0002332200000000, 0.0022916600000000 ] - [ -0.0012065000000000, 0.0014980000000000, -0.0028745700000000 ] - [ -0.0004791400000000, 0.0000487700000000, -0.0011793000000000 ] - [ -0.0004215600000000, 0.0004855000000000, -0.0012381600000000 ] - [ 0.0000756500000000, -0.0000947800000000, 0.0010691900000000 ] - [ 0.0002951800000000, -0.0001392800000000, 0.0014319400000000 ] - [ 0.0003203100000000, -0.0001729200000000, 0.0015295400000000 ] - [ -0.0005844100000000, -0.0004068100000000, -0.0000329700000000 ] - [ -0.0002892400000000, -0.0001934900000000, -0.0000753700000000 ] - [ -0.0000002900000000, -0.0001551700000000, 0.0002104000000000 ] - [ -0.0000752300000000, 0.0004386300000000, 0.0008750200000000 ] - [ 0.0002959100000000, 0.0004174400000000, 0.0011675900000000 ] - [ 0.0000905900000000, 0.0002564100000000, 0.0007241300000000 ] - [ -0.0004117500000000, -0.0003419400000000, 0.0012935100000000 ] - [ 0.0004967500000000, -0.0002468000000000, 0.0001658400000000 ] - [ 0.0045088400000000, 0.0032448600000000, 0.0087820600000000 ] - [ 0.0004046900000000, -0.0011536700000000, 0.0016266700000000 ] - [ 0.0036139700000000, 0.0000422900000000, 0.0084195800000000 ] - [ 0.0000858200000000, 0.0001399100000000, 0.0000047700000000 ] - [ -0.0040406500000000, 0.0006640700000000, -0.0015438200000000 ] - [ -0.0004410200000000, -0.0002478900000000, -0.0022914500000000 ] - [ 0.0408443400000000, 0.0157142300000000, 0.0548952900000000 ] - [ 0.0005685300000000, -0.0004435200000000, 0.0020650000000000 ] - [ 0.0016594600000000, 0.0003236400000000, 0.0030209000000000 ] - [ 0.0001113600000000, -0.0005353700000000, 0.0008319800000000 ] - [ 0.0004612800000000, -0.0002003500000000, 0.0013427100000000 ] - [ 0.0003777700000000, -0.0002944200000000, 0.0009140100000000 ] - [ 0.0008120100000000, -0.0002563800000000, 0.0014225600000000 ] - [ -0.0000677200000000, -0.0004236600000000, -0.0000357700000000 ] - [ 0.0002173300000000, -0.0001269000000000, 0.0002058600000000 ] - [ 0.0002270000000000, -0.0005168500000000, 0.0001095800000000 ] - [ -0.0005066300000000, 0.0005659500000000, -0.0019649700000000 ] - [ -0.0005122300000000, 0.0005694900000000, -0.0013874800000000 ] - [ -0.0000124900000000, 0.0003750200000000, -0.0005546400000000 ] - [ 0.0005160600000000, 0.0004003400000000, 0.0013292400000000 ] - [ 0.0006732300000000, 0.0004393400000000, 0.0015494100000000 ] - [ 0.0008890600000000, 0.0003537900000000, 0.0018532600000000 ] - [ 0.0257701700000000, -0.0227260300000000, 0.0282506900000000 ] - [ -0.0000752400000000, 0.0007881200000000, -0.0015938900000000 ] - [ -0.0025171300000000, -0.0002204000000000, -0.0015172700000000 ] - [ 0.0000288500000000, 0.0003404000000000, 0.0006204300000000 ] - [ 0.0019676300000000, 0.0003154000000000, 0.0039078800000000 ] - [ 0.0003802100000000, 0.0003295200000000, 0.0015172700000000 ]- atom: 97 displacement: [ 0.0037952304666203, 0.0000000000000000, -0.0092518228314877 ] forces: - [ 0.0005159700000000, -0.0001028000000000, -0.0034458000000000 ] - [ 0.0014026200000000, 0.0007186400000000, -0.0024079700000000 ] - [ -0.0002120300000000, -0.0002241600000000, -0.0006576100000000 ] - [ -0.0002428400000000, -0.0002769200000000, 0.0009583000000000 ] - [ -0.0001141900000000, -0.0002253400000000, 0.0007998800000000 ] - [ -0.0000386700000000, -0.0003969100000000, 0.0012538800000000 ] - [ -0.0012387300000000, -0.0000049500000000, -0.0037075300000000 ] - [ 0.0002239800000000, -0.0001578100000000, -0.0010229100000000 ] - [ 0.0016313800000000, 0.0005841000000000, -0.0032352000000000 ] - [ 0.0000717800000000, -0.0002575200000000, 0.0005331900000000 ] - [ 0.0001847900000000, -0.0001141900000000, 0.0009372900000000 ] - [ 0.0000717000000000, -0.0001798300000000, 0.0006063300000000 ] - [ -0.0003853100000000, -0.0001887200000000, 0.0001018100000000 ] - [ 0.0009503800000000, -0.0002861900000000, -0.0000186900000000 ] - [ -0.0003036700000000, -0.0021309400000000, 0.0017348100000000 ] - [ -0.0001362000000000, 0.0013970400000000, 0.0013225600000000 ] - [ 0.0008740900000000, 0.0009453700000000, 0.0003226800000000 ] - [ -0.0003989300000000, 0.0007379100000000, 0.0003063900000000 ] - [ -0.0008677500000000, 0.0022656400000000, 0.0021037500000000 ] - [ -0.0005821900000000, 0.0005642700000000, 0.0001828500000000 ] - [ 0.0009131900000000, 0.0008612400000000, 0.0000760300000000 ] - [ -0.0004769200000000, -0.0002268400000000, 0.0006081900000000 ] - [ -0.0005748900000000, -0.0008208200000000, 0.0013989000000000 ] - [ 0.0006362300000000, -0.0004336100000000, 0.0007117600000000 ] - [ -0.0006844700000000, 0.0000572600000000, 0.0002766900000000 ] - [ 0.0001987500000000, -0.0000233700000000, 0.0000098700000000 ] - [ 0.0028734800000000, 0.0124724500000000, 0.0107066500000000 ] - [ 0.0005959500000000, 0.0010015800000000, 0.0017756900000000 ] - [ 0.0019588200000000, 0.0025041100000000, 0.0032889700000000 ] - [ 0.0002132500000000, 0.0004268700000000, 0.0007157900000000 ] - [ -0.0000162500000000, -0.0000859600000000, 0.0002382500000000 ] - [ -0.0000594700000000, 0.0000277800000000, 0.0000221700000000 ] - [ 0.0002560800000000, -0.0002305700000000, 0.0004792500000000 ] - [ -0.0001870700000000, 0.0002076300000000, -0.0000881700000000 ] - [ 0.0002179700000000, -0.0000242700000000, 0.0003807200000000 ] - [ 0.0000312200000000, 0.0000469500000000, 0.0000696000000000 ] - [ -0.0008455500000000, -0.0006772500000000, -0.0018405400000000 ] - [ -0.0006265700000000, -0.0007471400000000, -0.0013989600000000 ] - [ -0.0003833300000000, -0.0005343600000000, -0.0009727200000000 ] - [ 0.0001827600000000, 0.0003010900000000, 0.0006048300000000 ] - [ 0.0003250700000000, 0.0004421600000000, 0.0008197800000000 ] - [ 0.0004163100000000, 0.0005298300000000, 0.0009510200000000 ] - [ 0.0218984300000000, -0.0176647500000000, 0.0067999300000000 ] - [ -0.0001944600000000, 0.0008541100000000, -0.0015882500000000 ] - [ -0.0023770900000000, 0.0008755500000000, -0.0021965900000000 ] - [ 0.0003914500000000, -0.0006442100000000, 0.0010378200000000 ] - [ 0.0011489500000000, -0.0016357500000000, 0.0022065100000000 ] - [ 0.0006807200000000, -0.0010821000000000, 0.0017057800000000 ] - [ -0.0326313900000000, -0.0934748300000000, -0.2070119400000000 ] - [ -0.0034080100000000, 0.0003498100000000, -0.0055939700000000 ] - [ -0.0008931000000000, -0.0028694700000000, -0.0049312800000000 ] - [ 0.0001027900000000, 0.0000793700000000, 0.0016163500000000 ] - [ 0.0007194700000000, 0.0002716900000000, 0.0029922500000000 ] - [ 0.0009832000000000, -0.0004008700000000, 0.0031640500000000 ] - [ -0.0003835500000000, 0.0033036000000000, -0.0026895800000000 ] - [ 0.0002585400000000, 0.0006525700000000, -0.0008157400000000 ] - [ 0.0000465800000000, 0.0011434900000000, -0.0012103300000000 ] - [ 0.0008777400000000, -0.0003776200000000, 0.0011386200000000 ] - [ 0.0012061900000000, -0.0002888400000000, 0.0016690800000000 ] - [ 0.0011426300000000, -0.0005345900000000, 0.0016507800000000 ] - [ -0.0002313000000000, 0.0009993100000000, -0.0013695900000000 ] - [ 0.0002369500000000, 0.0003946900000000, -0.0006058700000000 ] - [ -0.0003809900000000, 0.0017545700000000, -0.0013348700000000 ] - [ 0.0010601500000000, -0.0000428600000000, 0.0014229100000000 ] - [ 0.0012988900000000, -0.0001314000000000, 0.0017666900000000 ] - [ 0.0009513000000000, 0.0000119000000000, 0.0011695700000000 ] - [ -0.0000130000000000, 0.0003278100000000, 0.0022906100000000 ] - [ -0.0000860600000000, 0.0001768300000000, 0.0008149200000000 ] - [ 0.0025533300000000, -0.0025371900000000, 0.0065682700000000 ] - [ -0.0018133000000000, -0.0050240600000000, 0.0015215900000000 ] - [ 0.0059037600000000, 0.0094826300000000, 0.0131220100000000 ] - [ -0.0005612000000000, -0.0001577800000000, -0.0004967300000000 ] - [ -0.0160151800000000, -0.0401054600000000, 0.0037886500000000 ] - [ 0.0008513800000000, -0.0002588000000000, 0.0012171100000000 ] - [ -0.0009427200000000, 0.0016248300000000, 0.0012538400000000 ] - [ 0.0001478000000000, -0.0000168300000000, -0.0009276300000000 ] - [ 0.0000022000000000, -0.0000582700000000, -0.0014424800000000 ] - [ -0.0002306000000000, 0.0002491100000000, -0.0013582400000000 ] - [ -0.0000478500000000, -0.0037280500000000, 0.0006308200000000 ] - [ -0.0003684300000000, -0.0006048300000000, 0.0007008400000000 ] - [ 0.0003590900000000, -0.0009424100000000, 0.0005677800000000 ] - [ -0.0000760500000000, 0.0002195100000000, -0.0001750100000000 ] - [ -0.0003411100000000, 0.0001705600000000, -0.0003007700000000 ] - [ -0.0001489500000000, 0.0003662300000000, -0.0004357600000000 ] - [ 0.0004731600000000, -0.0009890300000000, 0.0006106700000000 ] - [ -0.0001206300000000, -0.0002884000000000, 0.0005619400000000 ] - [ -0.0004490600000000, -0.0018847600000000, 0.0006536200000000 ] - [ -0.0000956300000000, 0.0001358700000000, -0.0002922900000000 ] - [ -0.0002781800000000, 0.0002460900000000, -0.0004498100000000 ] - [ -0.0001913200000000, 0.0000860000000000, -0.0001628000000000 ] - [ 0.0005712700000000, -0.0000551500000000, -0.0013203700000000 ] - [ -0.0000083900000000, -0.0000514600000000, -0.0005942100000000 ] - [ -0.0007007300000000, 0.0013878300000000, -0.0023149100000000 ] - [ 0.0031807700000000, 0.0022477200000000, -0.0034627900000000 ] - [ -0.0025401900000000, -0.0037395300000000, -0.0030186700000000 ] - [ 0.0001019200000000, 0.0000857400000000, -0.0000555800000000 ] - [ 0.0871972200000000, 0.1323731000000000, 0.2815709100000000 ] - [ 0.0008244300000000, 0.0006391200000000, 0.0030139100000000 ] - [ 0.0023733400000000, 0.0011249100000000, 0.0036562800000000 ] - [ -0.0002092900000000, -0.0002019600000000, -0.0015808600000000 ] - [ -0.0009644700000000, -0.0000586300000000, -0.0028120200000000 ] - [ -0.0007108600000000, -0.0002425700000000, -0.0027027500000000 ] - [ 0.0009479800000000, -0.0015047900000000, 0.0032796400000000 ] - [ 0.0001681800000000, -0.0000572900000000, 0.0015797100000000 ] - [ 0.0001408800000000, -0.0005154600000000, 0.0016530900000000 ] - [ -0.0003345100000000, 0.0000863100000000, -0.0006563800000000 ] - [ -0.0006022300000000, 0.0001307900000000, -0.0010263300000000 ] - [ -0.0005987100000000, 0.0001422800000000, -0.0011088100000000 ] - [ 0.0003275900000000, 0.0004189800000000, 0.0004483700000000 ] - [ -0.0000197100000000, 0.0002026300000000, 0.0004788600000000 ] - [ -0.0002762500000000, 0.0001903700000000, 0.0002137100000000 ] - [ -0.0001825800000000, -0.0004294200000000, -0.0004635900000000 ] - [ -0.0006034400000000, -0.0004077700000000, -0.0007646200000000 ] - [ -0.0003709700000000, -0.0002253000000000, -0.0003067000000000 ] - [ 0.0006891700000000, 0.0003671900000000, -0.0017029500000000 ] - [ -0.0001911900000000, 0.0002552000000000, -0.0005729500000000 ] - [ -0.0042527800000000, -0.0032752900000000, -0.0092193400000000 ] - [ -0.0001124300000000, 0.0011744600000000, -0.0020309900000000 ] - [ -0.0033218700000000, -0.0000432600000000, -0.0088300400000000 ] - [ 0.0001699600000000, -0.0001312500000000, -0.0004151700000000 ] - [ 0.0035637600000000, -0.0014855100000000, 0.0006592000000000 ] - [ -0.0000301300000000, -0.0005802200000000, 0.0014364300000000 ] - [ -0.0422605900000000, -0.0167240600000000, -0.0565393400000000 ] - [ -0.0010707900000000, -0.0003730400000000, -0.0029302200000000 ] - [ -0.0021275700000000, -0.0011521800000000, -0.0038756500000000 ] - [ -0.0005621700000000, -0.0002745100000000, -0.0016885100000000 ] - [ -0.0000101500000000, -0.0006078000000000, -0.0004795400000000 ] - [ 0.0000876800000000, -0.0005314000000000, -0.0000613600000000 ] - [ -0.0003051100000000, -0.0005610600000000, -0.0005500800000000 ] - [ 0.0005177500000000, -0.0003850500000000, 0.0008946300000000 ] - [ 0.0002479900000000, -0.0007002600000000, 0.0006428500000000 ] - [ 0.0002764100000000, -0.0003002400000000, 0.0007584500000000 ] - [ 0.0009618000000000, 0.0002377000000000, 0.0028300000000000 ] - [ 0.0009752700000000, 0.0002570100000000, 0.0022369400000000 ] - [ 0.0005172400000000, 0.0004423500000000, 0.0014227600000000 ] - [ -0.0000659000000000, 0.0004087100000000, -0.0004686200000000 ] - [ -0.0002055400000000, 0.0003867800000000, -0.0006957600000000 ] - [ -0.0003826600000000, 0.0004638600000000, -0.0009823000000000 ] - [ -0.0260613100000000, 0.0232852400000000, -0.0290930700000000 ] - [ -0.0003946200000000, 0.0000399900000000, 0.0007391500000000 ] - [ 0.0020479000000000, 0.0010246800000000, 0.0006781600000000 ] - [ -0.0005349300000000, 0.0004773600000000, -0.0014901700000000 ] - [ -0.0024349500000000, 0.0005092900000000, -0.0047604000000000 ] - [ -0.0008277400000000, 0.0004804700000000, -0.0023732000000000 ]- atom: 121 displacement: [ 0.0099999690333460, 0.0000000000000000, -0.0000248863842565 ] forces: - [ -0.0009097700000000, 0.0000729400000000, 0.0006495000000000 ] - [ 0.0023214800000000, -0.0005027800000000, 0.0016124900000000 ] - [ -0.0016512000000000, -0.0017051500000000, -0.0003272800000000 ] - [ 0.0000939700000000, 0.0003282900000000, -0.0007603600000000 ] - [ -0.0000244500000000, -0.0002587700000000, 0.0001084800000000 ] - [ -0.0004196500000000, -0.0000720900000000, -0.0001231100000000 ] - [ 0.0024966600000000, 0.0005087300000000, 0.0000542000000000 ] - [ -0.0014444400000000, 0.0011074700000000, -0.0002937800000000 ] - [ -0.0005199300000000, -0.0003878100000000, 0.0002481800000000 ] - [ 0.0002057700000000, -0.0002371200000000, -0.0003029400000000 ] - [ -0.0001306700000000, -0.0003551000000000, -0.0004276200000000 ] - [ 0.0003102300000000, -0.0007371000000000, -0.0010923000000000 ] - [ 0.0028592000000000, 0.0016718600000000, -0.0003797700000000 ] - [ -0.0006113000000000, 0.0000707300000000, 0.0004154300000000 ] - [ -0.0012324300000000, 0.0014469100000000, -0.0005638700000000 ] - [ 0.0001948600000000, 0.0001384000000000, -0.0002872600000000 ] - [ 0.0003498200000000, -0.0000048700000000, -0.0008738200000000 ] - [ -0.0001569400000000, 0.0000436700000000, -0.0005186600000000 ] - [ -0.0012283700000000, -0.0012144600000000, 0.0008116200000000 ] - [ 0.0016439400000000, 0.0004633700000000, 0.0023637300000000 ] - [ -0.0007799300000000, 0.0002998400000000, 0.0006040200000000 ] - [ -0.0003771600000000, 0.0003488200000000, -0.0002164500000000 ] - [ -0.0000664100000000, 0.0003134000000000, -0.0001011800000000 ] - [ 0.0000903600000000, 0.0004168400000000, -0.0005935800000000 ] - [ 0.0434295700000000, 0.0323330300000000, 0.0223648400000000 ] - [ -0.0006192300000000, 0.0007469300000000, 0.0010939400000000 ] - [ -0.0010065500000000, -0.0006241300000000, -0.0007534100000000 ] - [ -0.0000386100000000, -0.0001095800000000, -0.0002466300000000 ] - [ -0.0002390400000000, -0.0004320100000000, -0.0007591300000000 ] - [ -0.0005948900000000, -0.0007918100000000, -0.0012246500000000 ] - [ -0.0000396600000000, 0.0000709800000000, -0.0000187200000000 ] - [ 0.0004148800000000, -0.0003694300000000, 0.0007232400000000 ] - [ -0.0002333300000000, 0.0001424000000000, -0.0001049000000000 ] - [ -0.0002551300000000, 0.0002916500000000, -0.0003996100000000 ] - [ -0.0000712200000000, 0.0001655100000000, -0.0002552900000000 ] - [ -0.0003839800000000, 0.0004350900000000, -0.0007053200000000 ] - [ 0.0000958600000000, 0.0001867000000000, 0.0003815700000000 ] - [ 0.0006798100000000, 0.0006673700000000, 0.0011026900000000 ] - [ -0.0002790000000000, -0.0001346400000000, -0.0001650200000000 ] - [ -0.0002095900000000, -0.0003204400000000, -0.0004786000000000 ] - [ -0.0001569100000000, -0.0002275000000000, -0.0003006900000000 ] - [ -0.0003632300000000, -0.0004475400000000, -0.0006665000000000 ] - [ 0.0018605700000000, -0.0018666500000000, 0.0025415300000000 ] - [ -0.0055459900000000, 0.0065043600000000, -0.0063891800000000 ] - [ -0.0005511500000000, 0.0002288200000000, -0.0002405300000000 ] - [ 0.0004511700000000, -0.0001859700000000, 0.0000223200000000 ] - [ -0.0002781300000000, 0.0002538100000000, -0.0003612400000000 ] - [ -0.0011603600000000, 0.0021101100000000, -0.0024714100000000 ] - [ -0.0026224800000000, -0.0025110400000000, 0.0012854300000000 ] - [ 0.1042663000000000, -0.0404851600000000, 0.0686940200000000 ] - [ -0.0021396800000000, 0.0006144800000000, -0.0011866300000000 ] - [ -0.0010835100000000, 0.0001085000000000, -0.0016358800000000 ] - [ -0.0008289800000000, -0.0001684500000000, -0.0008753200000000 ] - [ -0.0015648500000000, -0.0007360700000000, -0.0026022600000000 ] - [ 0.0008125200000000, 0.0000548300000000, 0.0005798200000000 ] - [ 0.0002468100000000, -0.0006403200000000, -0.0003383000000000 ] - [ 0.0002749000000000, -0.0002530100000000, -0.0001810400000000 ] - [ 0.0007974500000000, 0.0002650100000000, 0.0004521200000000 ] - [ 0.0004439100000000, -0.0001290800000000, 0.0000855800000000 ] - [ 0.0002008700000000, 0.0001702400000000, -0.0005691800000000 ] - [ 0.0015649700000000, 0.0011326300000000, 0.0023553400000000 ] - [ 0.0008454800000000, 0.0004662900000000, 0.0009433300000000 ] - [ 0.0004702900000000, 0.0001332700000000, 0.0004147700000000 ] - [ 0.0003647600000000, 0.0000492900000000, -0.0002729400000000 ] - [ 0.0002243100000000, 0.0001571100000000, -0.0005567900000000 ] - [ 0.0001238700000000, -0.0000169600000000, -0.0007824000000000 ] - [ -0.0059724000000000, 0.0104879000000000, -0.0119320400000000 ] - [ 0.0013028900000000, 0.0004028100000000, 0.0029806300000000 ] - [ -0.0015864800000000, 0.0003117900000000, -0.0012666200000000 ] - [ -0.0008345900000000, -0.0001360000000000, -0.0004690400000000 ] - [ -0.0002086400000000, 0.0011499400000000, -0.0009544900000000 ] - [ -0.0028210200000000, -0.0013510100000000, -0.0048494200000000 ] - [ 0.0004787400000000, 0.0011699100000000, -0.0012025600000000 ] - [ -0.0149176100000000, -0.0289800300000000, 0.0161465100000000 ] - [ 0.0011198800000000, -0.0005299800000000, -0.0002811500000000 ] - [ 0.0000841300000000, -0.0000822800000000, 0.0003063400000000 ] - [ 0.0001844400000000, 0.0000428400000000, 0.0000147900000000 ] - [ 0.0003170000000000, 0.0003437400000000, 0.0006174000000000 ] - [ -0.0002193300000000, -0.0001041800000000, 0.0000103900000000 ] - [ -0.0002792200000000, 0.0005121300000000, 0.0006146800000000 ] - [ 0.0001843800000000, 0.0001898300000000, 0.0003239100000000 ] - [ -0.0004507700000000, -0.0003215300000000, 0.0002616500000000 ] - [ 0.0000249200000000, 0.0000295200000000, 0.0002129300000000 ] - [ 0.0001170900000000, -0.0002433900000000, 0.0005210200000000 ] - [ -0.0007340600000000, -0.0005882000000000, -0.0007600100000000 ] - [ 0.0000271500000000, -0.0004283600000000, -0.0001960800000000 ] - [ 0.0002060800000000, 0.0000126200000000, 0.0000122100000000 ] - [ -0.0000915400000000, -0.0000025100000000, 0.0004226600000000 ] - [ -0.0000743700000000, -0.0000638300000000, 0.0005337400000000 ] - [ -0.0000706500000000, 0.0000188100000000, 0.0006610000000000 ] - [ 0.0004155500000000, -0.0040809200000000, 0.0032984000000000 ] - [ 0.0000292100000000, -0.0001385700000000, -0.0014826200000000 ] - [ 0.0008027500000000, -0.0001685500000000, -0.0000520300000000 ] - [ 0.0003746900000000, 0.0000842900000000, -0.0002690200000000 ] - [ -0.0006506300000000, -0.0004234600000000, 0.0003249400000000 ] - [ 0.0009017300000000, 0.0009018100000000, 0.0010872800000000 ] - [ 0.0024724000000000, 0.0011639000000000, -0.0033247100000000 ] - [ 0.0077903800000000, -0.0034454000000000, 0.0480017100000000 ] - [ 0.0014840600000000, -0.0000116600000000, 0.0001384500000000 ] - [ 0.0000003900000000, 0.0002710300000000, 0.0006141000000000 ] - [ 0.0004918000000000, -0.0000108300000000, 0.0002972800000000 ] - [ 0.0013593300000000, -0.0004606800000000, 0.0023427500000000 ] - [ -0.0003524300000000, -0.0000873900000000, -0.0002005500000000 ] - [ -0.0004266900000000, -0.0008177400000000, 0.0000721500000000 ] - [ 0.0002436200000000, -0.0001159200000000, 0.0003412700000000 ] - [ -0.0002536500000000, 0.0001290100000000, 0.0004064300000000 ] - [ -0.0000780900000000, 0.0000448600000000, 0.0003877800000000 ] - [ 0.0002001700000000, -0.0000637100000000, 0.0009487800000000 ] - [ -0.0006889600000000, -0.0015007500000000, -0.0008123600000000 ] - [ -0.0004926900000000, 0.0001282100000000, -0.0007365200000000 ] - [ 0.0001700600000000, -0.0001036000000000, 0.0000503100000000 ] - [ 0.0000542900000000, 0.0000450200000000, 0.0005934700000000 ] - [ -0.0000723800000000, 0.0001628300000000, 0.0007077700000000 ] - [ 0.0001799600000000, 0.0001584700000000, 0.0010233800000000 ] - [ 0.0075131900000000, 0.0167348700000000, 0.0307744100000000 ] - [ 0.0004294200000000, -0.0000350900000000, -0.0025647700000000 ] - [ 0.0014184900000000, 0.0000557900000000, 0.0004926600000000 ] - [ 0.0002283600000000, 0.0000995800000000, 0.0001322300000000 ] - [ 0.0002000900000000, -0.0000896900000000, 0.0004684700000000 ] - [ 0.0013382600000000, -0.0003232700000000, 0.0026558100000000 ] - [ -0.1506961500000000, 0.0139686600000000, -0.1817442200000000 ] - [ 0.0013103700000000, -0.0011047700000000, -0.0002865700000000 ] - [ 0.0012919700000000, 0.0007572700000000, -0.0014721500000000 ] - [ -0.0000923800000000, -0.0004144000000000, 0.0000954900000000 ] - [ 0.0004191500000000, -0.0004667000000000, 0.0011881200000000 ] - [ 0.0004227900000000, -0.0001903600000000, 0.0009287600000000 ] - [ 0.0004514100000000, -0.0001156400000000, 0.0007714800000000 ] - [ -0.0002595200000000, -0.0002466300000000, -0.0001734600000000 ] - [ 0.0004894000000000, -0.0003950600000000, 0.0004687400000000 ] - [ 0.0004837500000000, -0.0003759200000000, 0.0008397600000000 ] - [ 0.0000054000000000, -0.0006163200000000, 0.0003409700000000 ] - [ 0.0005875800000000, -0.0003816700000000, 0.0011226800000000 ] - [ 0.0002921600000000, 0.0001814500000000, 0.0000452100000000 ] - [ -0.0010788000000000, 0.0001737300000000, -0.0012048000000000 ] - [ 0.0004413600000000, 0.0006199300000000, 0.0000980100000000 ] - [ 0.0004829400000000, 0.0003148600000000, 0.0011645200000000 ] - [ 0.0003654500000000, 0.0003920300000000, 0.0007919700000000 ] - [ 0.0005827100000000, 0.0004254100000000, 0.0011270300000000 ] - [ -0.0017682700000000, 0.0012730800000000, -0.0010290500000000 ] - [ 0.0040049600000000, -0.0022610200000000, 0.0057059200000000 ] - [ 0.0004191900000000, 0.0003137300000000, -0.0002013900000000 ] - [ -0.0017821800000000, -0.0001689700000000, -0.0014384100000000 ] - [ 0.0004135400000000, 0.0004401900000000, 0.0003275900000000 ] - [ 0.0040279800000000, -0.0006605200000000, 0.0065834400000000 ]- atom: 121 displacement: [ -0.0099999690333460, 0.0000000000000000, 0.0000248863842565 ] forces: - [ 0.0006332900000000, -0.0005037100000000, -0.0003537000000000 ] - [ -0.0026064300000000, 0.0000348700000000, -0.0013585700000000 ] - [ 0.0014726900000000, 0.0012579300000000, 0.0006192300000000 ] - [ -0.0003744000000000, -0.0007495000000000, 0.0010595600000000 ] - [ -0.0002459400000000, -0.0002074400000000, 0.0001410800000000 ] - [ 0.0002345300000000, -0.0003791600000000, 0.0004207800000000 ] - [ -0.0023322600000000, -0.0009539700000000, -0.0003527000000000 ] - [ 0.0017321000000000, -0.0015847600000000, 0.0000524500000000 ] - [ 0.0008065800000000, -0.0000300900000000, -0.0005519500000000 ] - [ -0.0000222800000000, -0.0002136700000000, 0.0000044300000000 ] - [ 0.0003994600000000, -0.0001101300000000, 0.0001801200000000 ] - [ -0.0000276100000000, 0.0003099900000000, 0.0007862300000000 ] - [ -0.0026987300000000, -0.0012562800000000, 0.0001133200000000 ] - [ 0.0008803000000000, 0.0003921800000000, -0.0006588400000000 ] - [ 0.0015171200000000, -0.0010286500000000, 0.0002800100000000 ] - [ -0.0000132100000000, 0.0003127000000000, -0.0000130200000000 ] - [ -0.0000809200000000, 0.0004711000000000, 0.0006237700000000 ] - [ 0.0004405800000000, 0.0003811000000000, 0.0002174600000000 ] - [ 0.0009341700000000, 0.0016346700000000, -0.0004976500000000 ] - [ -0.0019059800000000, -0.0000024500000000, -0.0021210900000000 ] - [ 0.0005986900000000, 0.0001528100000000, -0.0003068900000000 ] - [ 0.0000973600000000, 0.0000738100000000, 0.0005158900000000 ] - [ -0.0002055700000000, 0.0001520500000000, 0.0003479500000000 ] - [ -0.0002747600000000, 0.0000330500000000, 0.0008916600000000 ] - [ -0.0428031700000000, -0.0330677200000000, -0.0236829000000000 ] - [ 0.0007555500000000, -0.0005512000000000, -0.0009158900000000 ] - [ 0.0011652200000000, 0.0008281800000000, 0.0009517800000000 ] - [ 0.0001828000000000, 0.0002964000000000, 0.0004174100000000 ] - [ 0.0003805600000000, 0.0006157100000000, 0.0009276300000000 ] - [ 0.0007456900000000, 0.0009817900000000, 0.0014012700000000 ] - [ -0.0001080200000000, 0.0001137900000000, -0.0001516500000000 ] - [ -0.0005581400000000, 0.0005540800000000, -0.0008933900000000 ] - [ 0.0000889300000000, 0.0000439300000000, -0.0000657400000000 ] - [ 0.0001057900000000, -0.0001035500000000, 0.0002240800000000 ] - [ -0.0000759800000000, 0.0000236300000000, 0.0000792200000000 ] - [ 0.0002388800000000, -0.0002472500000000, 0.0005322000000000 ] - [ -0.0002461700000000, -0.0003752600000000, -0.0005572100000000 ] - [ -0.0008264100000000, -0.0008572400000000, -0.0012780000000000 ] - [ 0.0001340300000000, -0.0000543100000000, -0.0000092200000000 ] - [ 0.0000601200000000, 0.0001320600000000, 0.0003032800000000 ] - [ 0.0000115400000000, 0.0000399100000000, 0.0001271200000000 ] - [ 0.0002165100000000, 0.0002580500000000, 0.0004913800000000 ] - [ -0.0017264600000000, 0.0016940400000000, -0.0023934900000000 ] - [ 0.0056754700000000, -0.0066756800000000, 0.0065960800000000 ] - [ 0.0007029000000000, -0.0004154700000000, 0.0004126100000000 ] - [ -0.0003029600000000, -0.0000041300000000, 0.0001532700000000 ] - [ 0.0004228000000000, -0.0004421700000000, 0.0005360400000000 ] - [ 0.0012963500000000, -0.0022768200000000, 0.0026300100000000 ] - [ 0.0015571500000000, 0.0023268300000000, -0.0017172900000000 ] - [ -0.1047537400000000, 0.0387484600000000, -0.0660941800000000 ] - [ 0.0010211500000000, -0.0008013200000000, 0.0007307600000000 ] - [ -0.0000248000000000, -0.0003117900000000, 0.0012022100000000 ] - [ -0.0002839600000000, -0.0000364200000000, 0.0004406800000000 ] - [ 0.0004410000000000, 0.0005264700000000, 0.0021505700000000 ] - [ 0.0003024600000000, -0.0002629800000000, -0.0001435300000000 ] - [ 0.0008670300000000, 0.0004304600000000, 0.0007762500000000 ] - [ 0.0008349100000000, 0.0000478900000000, 0.0006150800000000 ] - [ 0.0003208300000000, -0.0004729200000000, -0.0000105900000000 ] - [ 0.0006688700000000, -0.0000781200000000, 0.0003504200000000 ] - [ 0.0009070000000000, -0.0003759000000000, 0.0010010400000000 ] - [ -0.0004498900000000, -0.0009381000000000, -0.0019223100000000 ] - [ 0.0002657700000000, -0.0002744400000000, -0.0005119000000000 ] - [ 0.0006404100000000, 0.0000683300000000, 0.0000218200000000 ] - [ 0.0007524300000000, 0.0001554400000000, 0.0007115200000000 ] - [ 0.0008858700000000, 0.0000479400000000, 0.0009874100000000 ] - [ 0.0009851000000000, 0.0002195000000000, 0.0012149600000000 ] - [ 0.0048446100000000, -0.0100965900000000, 0.0114008300000000 ] - [ -0.0024008200000000, -0.0001904000000000, -0.0033909500000000 ] - [ 0.0004681800000000, -0.0001074600000000, 0.0008342600000000 ] - [ -0.0002759900000000, 0.0003427300000000, 0.0000281100000000 ] - [ -0.0009139300000000, -0.0009463000000000, 0.0005038500000000 ] - [ 0.0017116000000000, 0.0015724600000000, 0.0044216500000000 ] - [ -0.0002606400000000, -0.0011239000000000, 0.0007557000000000 ] - [ 0.0147711600000000, 0.0290573900000000, -0.0166156400000000 ] - [ -0.0008817600000000, 0.0005660800000000, -0.0001665200000000 ] - [ 0.0001515400000000, 0.0001420400000000, -0.0007540200000000 ] - [ 0.0000481500000000, 0.0000008500000000, -0.0004710700000000 ] - [ -0.0000693600000000, -0.0002912000000000, -0.0010657400000000 ] - [ -0.0000250600000000, 0.0001557600000000, 0.0004431000000000 ] - [ 0.0000470400000000, -0.0004659900000000, -0.0001592500000000 ] - [ -0.0004241700000000, -0.0001302300000000, 0.0001253100000000 ] - [ 0.0002039800000000, 0.0003721300000000, 0.0001893900000000 ] - [ -0.0002569400000000, 0.0000147300000000, 0.0002428400000000 ] - [ -0.0003535000000000, 0.0003041000000000, -0.0000726800000000 ] - [ 0.0004923900000000, 0.0005469100000000, 0.0012102600000000 ] - [ -0.0002645600000000, 0.0003962100000000, 0.0006557300000000 ] - [ -0.0004449200000000, -0.0000708800000000, 0.0004346700000000 ] - [ -0.0001548000000000, -0.0000461000000000, 0.0000302300000000 ] - [ -0.0001570700000000, 0.0000210000000000, -0.0000757000000000 ] - [ -0.0001680800000000, -0.0000770000000000, -0.0002111500000000 ] - [ -0.0001866600000000, 0.0039534700000000, -0.0037644500000000 ] - [ 0.0002018200000000, 0.0000885600000000, 0.0010168700000000 ] - [ -0.0005564000000000, 0.0001181800000000, -0.0004042800000000 ] - [ -0.0001392600000000, -0.0001447500000000, -0.0001759300000000 ] - [ 0.0008861900000000, 0.0003812900000000, -0.0007768000000000 ] - [ -0.0006594600000000, -0.0009598800000000, -0.0015422800000000 ] - [ -0.0022487700000000, -0.0012056700000000, 0.0029488500000000 ] - [ -0.0076927500000000, 0.0033726200000000, -0.0478690000000000 ] - [ -0.0012312900000000, 0.0000006400000000, -0.0005436500000000 ] - [ 0.0002742100000000, -0.0003027600000000, -0.0010330100000000 ] - [ -0.0001847000000000, 0.0000000900000000, -0.0007029100000000 ] - [ -0.0010929100000000, 0.0004440900000000, -0.0027389700000000 ] - [ 0.0000962100000000, 0.0000771500000000, 0.0006143800000000 ] - [ 0.0001209900000000, 0.0008127100000000, 0.0003293800000000 ] - [ -0.0005251400000000, 0.0000861700000000, 0.0000771300000000 ] - [ -0.0000057800000000, -0.0001365100000000, 0.0000057300000000 ] - [ -0.0002296200000000, -0.0000536600000000, 0.0000161800000000 ] - [ -0.0004774400000000, 0.0000337000000000, -0.0005283500000000 ] - [ 0.0004325700000000, 0.0015196000000000, 0.0012244000000000 ] - [ 0.0001872100000000, -0.0001088000000000, 0.0011416300000000 ] - [ -0.0004495400000000, 0.0001360500000000, 0.0003646500000000 ] - [ -0.0003121100000000, -0.0000352400000000, -0.0001802500000000 ] - [ -0.0002321100000000, -0.0001523600000000, -0.0002999700000000 ] - [ -0.0004589600000000, -0.0001264800000000, -0.0006041600000000 ] - [ -0.0070607900000000, -0.0167546000000000, -0.0310737200000000 ] - [ -0.0001136800000000, 0.0000372100000000, 0.0021397500000000 ] - [ -0.0011630900000000, -0.0000522400000000, -0.0009203600000000 ] - [ 0.0000510800000000, -0.0000696300000000, -0.0005462500000000 ] - [ 0.0001131700000000, 0.0000991800000000, -0.0008636700000000 ] - [ -0.0010873200000000, 0.0003328700000000, -0.0030754400000000 ] - [ 0.1496205500000000, -0.0123003400000000, 0.1786473900000000 ] - [ -0.0017591600000000, 0.0002723100000000, -0.0005561600000000 ] - [ -0.0017729600000000, -0.0015742200000000, 0.0006024800000000 ] - [ -0.0004143800000000, -0.0003979900000000, -0.0009654800000000 ] - [ -0.0008818900000000, -0.0003551400000000, -0.0020336600000000 ] - [ -0.0008765300000000, -0.0006154400000000, -0.0017913300000000 ] - [ 0.0000003200000000, -0.0006847700000000, 0.0000894500000000 ] - [ 0.0007239600000000, -0.0005730400000000, 0.0010259700000000 ] - [ 0.0000166600000000, -0.0004163100000000, 0.0004014700000000 ] - [ -0.0000335100000000, -0.0004277000000000, 0.0000227700000000 ] - [ 0.0004647000000000, -0.0002049000000000, 0.0005170100000000 ] - [ -0.0000818900000000, -0.0004300400000000, -0.0002513800000000 ] - [ 0.0001580600000000, 0.0006249200000000, 0.0008147000000000 ] - [ 0.0015468200000000, 0.0006483000000000, 0.0020592800000000 ] - [ 0.0000642100000000, 0.0001961900000000, 0.0007735200000000 ] - [ -0.0000323100000000, 0.0004897900000000, -0.0003022000000000 ] - [ 0.0001018400000000, 0.0004298500000000, 0.0000628200000000 ] - [ -0.0000740900000000, 0.0003873000000000, -0.0002523500000000 ] - [ 0.0012730800000000, -0.0004657900000000, 0.0001759400000000 ] - [ -0.0044723000000000, 0.0030619900000000, -0.0065785600000000 ] - [ -0.0008731100000000, 0.0004901200000000, -0.0006557500000000 ] - [ 0.0012623300000000, 0.0009772700000000, 0.0005573300000000 ] - [ -0.0008814400000000, 0.0003819600000000, -0.0011867700000000 ] - [ -0.0044539300000000, 0.0014318100000000, -0.0073835000000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001266500000000, -0.0003189100000000, -0.0000989600000000 ] - [ 0.0002324000000000, -0.0011697400000000, -0.0029867300000000 ] - [ -0.0005127100000000, -0.0002947700000000, -0.0004441400000000 ] - [ 0.0000230000000000, 0.0000163900000000, 0.0002393900000000 ] - [ -0.0001638100000000, -0.0002461100000000, 0.0004085600000000 ] - [ -0.0002277300000000, -0.0001263700000000, 0.0002506200000000 ] - [ -0.0024056100000000, -0.0015355700000000, 0.0007402800000000 ] - [ 0.0026309400000000, -0.0018048800000000, 0.0010445500000000 ] - [ 0.0002568400000000, -0.0002026900000000, -0.0002068000000000 ] - [ 0.0001521000000000, -0.0002628400000000, -0.0001193000000000 ] - [ -0.0000067500000000, -0.0003214500000000, -0.0001067000000000 ] - [ 0.0002260100000000, -0.0005810900000000, -0.0004776400000000 ] - [ 0.0011958300000000, 0.0023670200000000, -0.0011301200000000 ] - [ -0.0004687700000000, 0.0001137400000000, 0.0001328300000000 ] - [ 0.0009430900000000, 0.0001244500000000, 0.0007588400000000 ] - [ 0.0000654200000000, 0.0002452800000000, -0.0002300000000000 ] - [ 0.0001026200000000, 0.0002644300000000, -0.0002140500000000 ] - [ 0.0001983400000000, 0.0002306400000000, -0.0001897500000000 ] - [ -0.0011151300000000, -0.0005260800000000, 0.0006790100000000 ] - [ 0.0006038000000000, -0.0011807600000000, -0.0017430200000000 ] - [ 0.0000762900000000, 0.0001771100000000, -0.0000021600000000 ] - [ -0.0000745300000000, 0.0001867500000000, 0.0001433400000000 ] - [ -0.0001932200000000, 0.0002037700000000, 0.0001489500000000 ] - [ -0.0000913200000000, 0.0001752500000000, 0.0002128000000000 ] - [ 0.0241168400000000, 0.1161302100000000, 0.0390647700000000 ] - [ -0.0002422000000000, 0.0008723100000000, 0.0002061600000000 ] - [ 0.0003201400000000, 0.0007158700000000, 0.0008898000000000 ] - [ 0.0000629300000000, 0.0000895100000000, 0.0000645200000000 ] - [ -0.0000013000000000, 0.0000149200000000, -0.0000156100000000 ] - [ 0.0001076700000000, 0.0001218700000000, 0.0000938500000000 ] - [ 0.0005075700000000, -0.0007205600000000, 0.0009797100000000 ] - [ 0.0001500000000000, -0.0004499300000000, 0.0004332200000000 ] - [ -0.0000292600000000, -0.0000318300000000, 0.0000591700000000 ] - [ -0.0000482300000000, 0.0000689900000000, -0.0000749900000000 ] - [ -0.0001138700000000, 0.0001125400000000, -0.0001393700000000 ] - [ -0.0000066400000000, 0.0000027900000000, 0.0000137800000000 ] - [ -0.0001345900000000, -0.0003207400000000, -0.0003469300000000 ] - [ -0.0011652600000000, -0.0013356800000000, -0.0018081800000000 ] - [ -0.0001950000000000, -0.0004418700000000, -0.0004604700000000 ] - [ -0.0000017200000000, -0.0000429400000000, 0.0000342700000000 ] - [ -0.0000560900000000, -0.0000671000000000, -0.0000164300000000 ] - [ -0.0000790600000000, -0.0000916200000000, -0.0000688400000000 ] - [ -0.0005663000000000, 0.0008437000000000, -0.0009083900000000 ] - [ -0.0015506200000000, 0.0044955400000000, -0.0018507600000000 ] - [ 0.0000972000000000, 0.0000504600000000, -0.0000436900000000 ] - [ 0.0003228900000000, -0.0001388700000000, 0.0002960300000000 ] - [ -0.0000118000000000, -0.0000560200000000, 0.0001066300000000 ] - [ -0.0006708400000000, 0.0016173500000000, -0.0009565500000000 ] - [ 0.0005713800000000, 0.0035752300000000, 0.0003295300000000 ] - [ -0.0348410400000000, 0.1531418500000000, -0.0628622200000000 ] - [ -0.0009120200000000, 0.0022758000000000, -0.0013752300000000 ] - [ -0.0004511700000000, 0.0000753200000000, -0.0001731400000000 ] - [ -0.0005436800000000, -0.0000166000000000, -0.0001245600000000 ] - [ -0.0008805600000000, -0.0003709300000000, -0.0009031600000000 ] - [ 0.0004126700000000, -0.0007510100000000, 0.0000468800000000 ] - [ 0.0008576000000000, -0.0012800200000000, 0.0009825800000000 ] - [ 0.0006050100000000, -0.0003514400000000, 0.0003423700000000 ] - [ 0.0005545200000000, -0.0010704400000000, 0.0004407100000000 ] - [ 0.0005698900000000, -0.0003449800000000, 0.0003519600000000 ] - [ 0.0006290700000000, -0.0002583900000000, 0.0004056900000000 ] - [ 0.0013948400000000, -0.0046968100000000, 0.0006747800000000 ] - [ -0.0000433600000000, -0.0030507300000000, -0.0010793200000000 ] - [ 0.0007377800000000, -0.0004890200000000, 0.0003783000000000 ] - [ 0.0005960900000000, 0.0000407100000000, 0.0002881200000000 ] - [ 0.0005330300000000, 0.0000247400000000, 0.0001941800000000 ] - [ 0.0006246800000000, 0.0000105600000000, 0.0003339900000000 ] - [ -0.0022676500000000, 0.0186314600000000, -0.0075627700000000 ] - [ -0.0002881700000000, 0.0037492300000000, 0.0003242900000000 ] - [ -0.0007774200000000, 0.0004813400000000, -0.0002063100000000 ] - [ -0.0005918900000000, 0.0002756900000000, -0.0003745300000000 ] - [ -0.0004288500000000, 0.0007907900000000, -0.0000521800000000 ] - [ -0.0003374700000000, 0.0003323300000000, -0.0000739500000000 ] - [ 0.0008681300000000, -0.0017879400000000, -0.0006194200000000 ] - [ -0.0310989500000000, 0.0574775200000000, -0.0477627900000000 ] - [ -0.0006547700000000, -0.0014826900000000, 0.0001741500000000 ] - [ 0.0000008800000000, -0.0000658400000000, -0.0001830700000000 ] - [ 0.0001493800000000, -0.0000296200000000, -0.0002623500000000 ] - [ 0.0002351100000000, 0.0001613800000000, -0.0000234400000000 ] - [ -0.0002207900000000, 0.0004791200000000, 0.0004530000000000 ] - [ -0.0000894900000000, 0.0010932700000000, 0.0002658100000000 ] - [ -0.0001421500000000, 0.0002336000000000, 0.0002564600000000 ] - [ -0.0000791200000000, 0.0007223300000000, -0.0002160300000000 ] - [ -0.0000207700000000, 0.0001870700000000, 0.0001114100000000 ] - [ -0.0001275400000000, 0.0001669100000000, 0.0000901000000000 ] - [ 0.0001783100000000, 0.0036632900000000, 0.0001134100000000 ] - [ -0.0007238700000000, 0.0024203100000000, 0.0009012900000000 ] - [ -0.0001407500000000, 0.0003853200000000, 0.0001647800000000 ] - [ -0.0001386200000000, 0.0000267900000000, 0.0002045700000000 ] - [ -0.0000749700000000, 0.0000424300000000, 0.0002183500000000 ] - [ -0.0001575200000000, 0.0000545100000000, 0.0002048200000000 ] - [ -0.0011758700000000, -0.0071347900000000, -0.0015050900000000 ] - [ 0.0010928000000000, -0.0021542400000000, -0.0014996600000000 ] - [ 0.0002511700000000, -0.0002975600000000, -0.0003713200000000 ] - [ 0.0000637300000000, -0.0001334800000000, -0.0001176000000000 ] - [ 0.0000734300000000, -0.0004883900000000, -0.0000644000000000 ] - [ 0.0000838100000000, -0.0004851300000000, -0.0001898000000000 ] - [ -0.0014783600000000, -0.0017807300000000, 0.0002860200000000 ] - [ 0.0108093100000000, -0.0230232200000000, 0.0215622400000000 ] - [ 0.0001730300000000, -0.0004162700000000, -0.0000068700000000 ] - [ -0.0000711400000000, -0.0000868400000000, -0.0003368300000000 ] - [ 0.0002337000000000, -0.0000692000000000, -0.0003135400000000 ] - [ 0.0007246900000000, -0.0006353400000000, 0.0008387000000000 ] - [ 0.0000023800000000, 0.0003023200000000, 0.0002849700000000 ] - [ 0.0001174000000000, 0.0018321200000000, 0.0000136700000000 ] - [ -0.0002916300000000, 0.0003389900000000, 0.0002692900000000 ] - [ -0.0003510600000000, 0.0004082000000000, -0.0001032300000000 ] - [ -0.0001890100000000, 0.0000925700000000, 0.0000620400000000 ] - [ -0.0001710800000000, 0.0001448900000000, 0.0000344800000000 ] - [ -0.0008171200000000, 0.0025342000000000, 0.0001020700000000 ] - [ 0.0009660800000000, 0.0020944500000000, 0.0008316800000000 ] - [ -0.0001738400000000, 0.0002251300000000, 0.0001609300000000 ] - [ -0.0001639100000000, 0.0000168300000000, 0.0001906500000000 ] - [ -0.0001055700000000, 0.0000243800000000, 0.0002543500000000 ] - [ -0.0001967700000000, 0.0000599600000000, 0.0001302900000000 ] - [ 0.0171532300000000, 0.0046704100000000, 0.0316458400000000 ] - [ 0.0000003600000000, -0.0011697200000000, 0.0004101900000000 ] - [ 0.0003301800000000, -0.0004159900000000, -0.0005333200000000 ] - [ 0.0001919000000000, -0.0000620600000000, -0.0001166900000000 ] - [ 0.0002740700000000, -0.0001136800000000, -0.0000752400000000 ] - [ 0.0000485300000000, -0.0000105000000000, -0.0001420300000000 ] - [ 0.0130037700000000, -0.3222955800000000, 0.0240796700000000 ] - [ 0.0009352700000000, -0.0013885600000000, 0.0004211300000000 ] - [ -0.0009184700000000, -0.0013832100000000, -0.0004898500000000 ] - [ -0.0002618500000000, -0.0004069600000000, -0.0004458500000000 ] - [ -0.0000185700000000, -0.0004386500000000, -0.0000506200000000 ] - [ -0.0002829900000000, -0.0004301300000000, -0.0004568300000000 ] - [ -0.0000622800000000, 0.0001845400000000, -0.0001291000000000 ] - [ 0.0000675700000000, 0.0000956000000000, 0.0003059600000000 ] - [ 0.0002423700000000, -0.0002927700000000, 0.0003463100000000 ] - [ 0.0001997800000000, -0.0003492000000000, 0.0004280900000000 ] - [ 0.0004404600000000, -0.0002128300000000, 0.0006014300000000 ] - [ 0.0002300800000000, -0.0001436500000000, 0.0003273100000000 ] - [ 0.0000022000000000, 0.0007345800000000, 0.0004267200000000 ] - [ -0.0000058100000000, 0.0035318000000000, 0.0009080600000000 ] - [ 0.0004678300000000, 0.0011603900000000, 0.0006464700000000 ] - [ 0.0001372600000000, 0.0004066400000000, 0.0002956700000000 ] - [ 0.0002146400000000, 0.0004245600000000, 0.0003317100000000 ] - [ 0.0002731400000000, 0.0004059000000000, 0.0004233300000000 ] - [ 0.0003211500000000, -0.0003397100000000, -0.0004827700000000 ] - [ 0.0008050800000000, -0.0026088800000000, 0.0007259600000000 ] - [ -0.0002551500000000, 0.0003105400000000, -0.0003055200000000 ] - [ -0.0011294600000000, -0.0003443600000000, -0.0009420600000000 ] - [ -0.0001452500000000, 0.0003194700000000, -0.0005333400000000 ] - [ 0.0024628100000000, -0.0026517200000000, 0.0051078000000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004049600000000, -0.0001042900000000, 0.0004042400000000 ] - [ -0.0005106100000000, 0.0007111800000000, 0.0032132500000000 ] - [ 0.0003408800000000, -0.0001396800000000, 0.0007432200000000 ] - [ -0.0003020400000000, -0.0004378700000000, 0.0000706400000000 ] - [ -0.0001071800000000, -0.0002190400000000, -0.0001504000000000 ] - [ 0.0000448200000000, -0.0003240000000000, 0.0000551000000000 ] - [ 0.0025934500000000, 0.0010772400000000, -0.0010435500000000 ] - [ -0.0023622600000000, 0.0013318200000000, -0.0013052200000000 ] - [ 0.0000233500000000, -0.0002226500000000, -0.0001023300000000 ] - [ 0.0000298800000000, -0.0001897900000000, -0.0001850900000000 ] - [ 0.0002754300000000, -0.0001452900000000, -0.0001478200000000 ] - [ 0.0000558400000000, 0.0001527700000000, 0.0001660300000000 ] - [ -0.0009686700000000, -0.0017739800000000, 0.0006201400000000 ] - [ 0.0007320300000000, 0.0003538600000000, -0.0003850400000000 ] - [ -0.0006486100000000, 0.0002977800000000, -0.0010542900000000 ] - [ 0.0001150500000000, 0.0002088000000000, -0.0000760200000000 ] - [ 0.0001662300000000, 0.0002058400000000, -0.0000412000000000 ] - [ 0.0000841000000000, 0.0001965100000000, -0.0001180100000000 ] - [ 0.0008201100000000, 0.0009356100000000, -0.0003629600000000 ] - [ -0.0008554000000000, 0.0016205300000000, 0.0020050400000000 ] - [ -0.0002596900000000, 0.0002714800000000, 0.0003091200000000 ] - [ -0.0002048700000000, 0.0002345000000000, 0.0001640800000000 ] - [ -0.0000777500000000, 0.0002596500000000, 0.0001057500000000 ] - [ -0.0000912300000000, 0.0002723800000000, 0.0000912800000000 ] - [ -0.0268977300000000, -0.1192050800000000, -0.0436662800000000 ] - [ 0.0003886100000000, -0.0006797300000000, -0.0000297000000000 ] - [ -0.0001693700000000, -0.0005219400000000, -0.0007073200000000 ] - [ 0.0000820600000000, 0.0000985300000000, 0.0001086200000000 ] - [ 0.0001451800000000, 0.0001715100000000, 0.0001883200000000 ] - [ 0.0000440200000000, 0.0000688500000000, 0.0000845100000000 ] - [ -0.0006490100000000, 0.0008978200000000, -0.0011401000000000 ] - [ -0.0002911100000000, 0.0006296700000000, -0.0005968200000000 ] - [ -0.0001157200000000, 0.0002182900000000, -0.0002299300000000 ] - [ -0.0001013700000000, 0.0001198300000000, -0.0001010700000000 ] - [ -0.0000326100000000, 0.0000767400000000, -0.0000368700000000 ] - [ -0.0001401600000000, 0.0001878800000000, -0.0001901700000000 ] - [ -0.0000146900000000, 0.0001310800000000, 0.0001700800000000 ] - [ 0.0010129700000000, 0.0011436100000000, 0.0016223100000000 ] - [ 0.0000466700000000, 0.0002506700000000, 0.0002816600000000 ] - [ -0.0001465300000000, -0.0001443700000000, -0.0002072900000000 ] - [ -0.0000888700000000, -0.0001200300000000, -0.0001560600000000 ] - [ -0.0000665600000000, -0.0000969300000000, -0.0001046700000000 ] - [ 0.0007060600000000, -0.0010280800000000, 0.0010770800000000 ] - [ 0.0017260400000000, -0.0047601900000000, 0.0020813400000000 ] - [ 0.0000525500000000, -0.0002380800000000, 0.0002169900000000 ] - [ -0.0001756400000000, -0.0000489100000000, -0.0001214700000000 ] - [ 0.0001560200000000, -0.0001311000000000, 0.0000669500000000 ] - [ 0.0008101900000000, -0.0017848800000000, 0.0011164200000000 ] - [ -0.0016821800000000, -0.0037459300000000, -0.0007719100000000 ] - [ 0.0358516500000000, -0.1549193300000000, 0.0660915300000000 ] - [ -0.0002052200000000, -0.0024895600000000, 0.0009213000000000 ] - [ -0.0006555400000000, -0.0002783300000000, -0.0002571600000000 ] - [ -0.0005680700000000, -0.0001890600000000, -0.0003077200000000 ] - [ -0.0002407700000000, 0.0001610900000000, 0.0004561600000000 ] - [ 0.0007036200000000, 0.0005445700000000, 0.0003881900000000 ] - [ 0.0002481500000000, 0.0010858600000000, -0.0005650900000000 ] - [ 0.0005017500000000, 0.0001520700000000, 0.0000844400000000 ] - [ 0.0005652900000000, 0.0008545300000000, 0.0000056500000000 ] - [ 0.0005429900000000, 0.0001367200000000, 0.0000855300000000 ] - [ 0.0004809300000000, 0.0000521300000000, 0.0000300700000000 ] - [ -0.0002670800000000, 0.0048632500000000, -0.0002253800000000 ] - [ 0.0011474000000000, 0.0032464100000000, 0.0014986200000000 ] - [ 0.0003732800000000, 0.0006867000000000, 0.0000570800000000 ] - [ 0.0005214800000000, 0.0001634000000000, 0.0001514900000000 ] - [ 0.0005781000000000, 0.0001796300000000, 0.0002375500000000 ] - [ 0.0004847100000000, 0.0001906400000000, 0.0000990100000000 ] - [ 0.0011062200000000, -0.0181882200000000, 0.0069849500000000 ] - [ -0.0008201500000000, -0.0035024400000000, -0.0007592400000000 ] - [ -0.0003428800000000, -0.0002697600000000, -0.0002346500000000 ] - [ -0.0005171700000000, -0.0000709500000000, -0.0000598600000000 ] - [ -0.0006875000000000, -0.0005924600000000, -0.0003819100000000 ] - [ -0.0007690900000000, -0.0001187500000000, -0.0003447500000000 ] - [ -0.0006206500000000, 0.0018342400000000, 0.0001653200000000 ] - [ 0.0321661800000000, -0.0588699000000000, 0.0485216200000000 ] - [ 0.0009037300000000, 0.0015366900000000, -0.0006244700000000 ] - [ 0.0002351200000000, 0.0001264100000000, -0.0002654200000000 ] - [ 0.0000831900000000, 0.0000750700000000, -0.0001945000000000 ] - [ 0.0000118600000000, -0.0001073700000000, -0.0004263000000000 ] - [ -0.0000250200000000, -0.0004288600000000, 0.0000010100000000 ] - [ -0.0001399000000000, -0.0010607200000000, 0.0001951400000000 ] - [ -0.0000965800000000, -0.0001780100000000, 0.0001939800000000 ] - [ -0.0001662500000000, -0.0006651500000000, 0.0006612100000000 ] - [ -0.0002101600000000, -0.0001418200000000, 0.0003431300000000 ] - [ -0.0001101800000000, -0.0001043400000000, 0.0003566500000000 ] - [ -0.0004267800000000, -0.0036836200000000, 0.0003310400000000 ] - [ 0.0004927400000000, -0.0024580800000000, -0.0004441500000000 ] - [ -0.0000962900000000, -0.0004405200000000, 0.0002823700000000 ] - [ -0.0001074400000000, -0.0000755900000000, 0.0002473900000000 ] - [ -0.0001567100000000, -0.0000855200000000, 0.0002390300000000 ] - [ -0.0000808900000000, -0.0001127000000000, 0.0002445100000000 ] - [ 0.0013859000000000, 0.0069728900000000, 0.0010133400000000 ] - [ -0.0008512000000000, 0.0020857900000000, 0.0010317300000000 ] - [ -0.0000048600000000, 0.0002415300000000, -0.0000819100000000 ] - [ 0.0001733000000000, 0.0000723300000000, -0.0003303100000000 ] - [ 0.0001647500000000, 0.0004455300000000, -0.0003951300000000 ] - [ 0.0001560900000000, 0.0004316800000000, -0.0002691800000000 ] - [ 0.0017557600000000, 0.0017359300000000, -0.0007023900000000 ] - [ -0.0107263200000000, 0.0229893700000000, -0.0223214900000000 ] - [ 0.0000801800000000, 0.0004107100000000, -0.0003976000000000 ] - [ 0.0003466500000000, 0.0000533400000000, -0.0000840200000000 ] - [ 0.0000735800000000, 0.0000573900000000, -0.0000928900000000 ] - [ -0.0004603400000000, 0.0006178000000000, -0.0012385900000000 ] - [ -0.0002601600000000, -0.0003109100000000, 0.0001306900000000 ] - [ -0.0004191100000000, -0.0018485000000000, 0.0004084900000000 ] - [ 0.0000161600000000, -0.0003707900000000, 0.0001557600000000 ] - [ 0.0000897000000000, -0.0004115600000000, 0.0005108900000000 ] - [ -0.0001187800000000, -0.0001004300000000, 0.0003411100000000 ] - [ -0.0001076600000000, -0.0001734700000000, 0.0003828800000000 ] - [ 0.0005507900000000, -0.0025037300000000, 0.0003021600000000 ] - [ -0.0012639400000000, -0.0020700100000000, -0.0004270200000000 ] - [ -0.0001047900000000, -0.0001919600000000, 0.0002561700000000 ] - [ -0.0000937000000000, -0.0000080600000000, 0.0002227700000000 ] - [ -0.0001994300000000, -0.0000149300000000, 0.0001533600000000 ] - [ -0.0000812900000000, -0.0000298900000000, 0.0002906300000000 ] - [ -0.0168638400000000, -0.0045741900000000, -0.0320365700000000 ] - [ 0.0002995500000000, 0.0011700400000000, -0.0008070800000000 ] - [ -0.0000687800000000, 0.0004210000000000, 0.0001173500000000 ] - [ 0.0000867000000000, 0.0000930400000000, -0.0003016500000000 ] - [ 0.0000341300000000, 0.0001266000000000, -0.0003295500000000 ] - [ 0.0002028800000000, 0.0000225600000000, -0.0002820400000000 ] - [ -0.0133405800000000, 0.3274990800000000, -0.0243856600000000 ] - [ -0.0013996000000000, 0.0005621800000000, -0.0012704400000000 ] - [ 0.0004589400000000, 0.0005673300000000, -0.0003673500000000 ] - [ -0.0002453200000000, -0.0004055200000000, -0.0004265700000000 ] - [ -0.0004461500000000, -0.0003838500000000, -0.0007994500000000 ] - [ -0.0001713500000000, -0.0003756100000000, -0.0004081100000000 ] - [ 0.0005098200000000, -0.0009803400000000, 0.0009834000000000 ] - [ 0.0003954400000000, -0.0009112400000000, 0.0005419300000000 ] - [ 0.0002641600000000, -0.0005181400000000, 0.0005229800000000 ] - [ 0.0002520500000000, -0.0004544200000000, 0.0004368600000000 ] - [ 0.0000283800000000, -0.0006084000000000, 0.0002563200000000 ] - [ 0.0002792400000000, -0.0006695500000000, 0.0005521700000000 ] - [ 0.0004460700000000, 0.0000718900000000, 0.0004341100000000 ] - [ 0.0004673600000000, -0.0026748100000000, -0.0000499500000000 ] - [ 0.0000436300000000, -0.0003472500000000, 0.0002336600000000 ] - [ 0.0003128200000000, 0.0003977100000000, 0.0005645900000000 ] - [ 0.0002529000000000, 0.0003970100000000, 0.0005213600000000 ] - [ 0.0002345700000000, 0.0004064400000000, 0.0004493300000000 ] - [ -0.0008239600000000, 0.0011531900000000, -0.0003853100000000 ] - [ -0.0012915200000000, 0.0034562800000000, -0.0016103800000000 ] - [ -0.0001969000000000, 0.0004931500000000, -0.0005554200000000 ] - [ 0.0006126500000000, 0.0011484800000000, 0.0000652700000000 ] - [ -0.0003209400000000, 0.0005018700000000, -0.0003211600000000 ] - [ -0.0028884100000000, 0.0034144800000000, -0.0059160500000000 ]- atom: 121 displacement: [ -0.0037952304666203, 0.0000000000000000, 0.0092518228314877 ] forces: - [ -0.0000772000000000, -0.0005413500000000, 0.0003651700000000 ] - [ 0.0018929700000000, -0.0026710200000000, -0.0008669300000000 ] - [ -0.0023067000000000, -0.0026351800000000, 0.0001675400000000 ] - [ -0.0001806200000000, 0.0005152600000000, -0.0011832300000000 ] - [ 0.0001634100000000, 0.0001269200000000, -0.0007027100000000 ] - [ -0.0003215200000000, -0.0000172400000000, -0.0002905300000000 ] - [ 0.0017572100000000, 0.0012448700000000, -0.0003723100000000 ] - [ -0.0016173100000000, 0.0019090400000000, -0.0003973200000000 ] - [ 0.0000443000000000, 0.0000508400000000, 0.0001760800000000 ] - [ 0.0003303600000000, -0.0005208600000000, -0.0008506600000000 ] - [ -0.0000545400000000, -0.0004070900000000, -0.0006444200000000 ] - [ 0.0001342700000000, -0.0008891200000000, -0.0014173100000000 ] - [ -0.0004744300000000, 0.0000512200000000, 0.0030054100000000 ] - [ 0.0008085400000000, 0.0007114600000000, 0.0005201400000000 ] - [ -0.0011855500000000, 0.0010815400000000, 0.0007188800000000 ] - [ 0.0003009400000000, 0.0000254000000000, -0.0007550900000000 ] - [ 0.0003001600000000, -0.0001690500000000, -0.0012861900000000 ] - [ -0.0001949400000000, -0.0000721200000000, -0.0008610500000000 ] - [ -0.0014257600000000, -0.0010040400000000, 0.0019182500000000 ] - [ 0.0011699400000000, -0.0012591100000000, 0.0033330300000000 ] - [ -0.0000771300000000, -0.0000744000000000, 0.0011115900000000 ] - [ -0.0004176000000000, 0.0004381800000000, -0.0005797800000000 ] - [ 0.0000212200000000, 0.0004012000000000, -0.0005023100000000 ] - [ 0.0000634700000000, 0.0005645400000000, -0.0009644000000000 ] - [ 0.0067529000000000, 0.0383210500000000, 0.0543000900000000 ] - [ 0.0022037300000000, 0.0010686400000000, 0.0027352100000000 ] - [ 0.0002626700000000, 0.0010150000000000, 0.0016801200000000 ] - [ -0.0002507500000000, -0.0004577500000000, -0.0008466100000000 ] - [ -0.0005436500000000, -0.0008789100000000, -0.0014675000000000 ] - [ -0.0009949500000000, -0.0013658400000000, -0.0020761300000000 ] - [ 0.0000803700000000, -0.0001274700000000, 0.0003813500000000 ] - [ 0.0003324900000000, -0.0001345600000000, 0.0006115700000000 ] - [ 0.0000870000000000, -0.0001440500000000, 0.0003880100000000 ] - [ -0.0003536900000000, 0.0004368100000000, -0.0006936200000000 ] - [ -0.0002395400000000, 0.0003690200000000, -0.0006430300000000 ] - [ -0.0005691900000000, 0.0006332100000000, -0.0010650300000000 ] - [ 0.0002120500000000, 0.0002864300000000, 0.0005671100000000 ] - [ 0.0005463100000000, 0.0006551000000000, 0.0010430100000000 ] - [ 0.0000495100000000, 0.0002820200000000, 0.0004698300000000 ] - [ -0.0004751600000000, -0.0006271500000000, -0.0009979600000000 ] - [ -0.0002483700000000, -0.0003962700000000, -0.0006219100000000 ] - [ -0.0004737500000000, -0.0006070300000000, -0.0009326800000000 ] - [ 0.0007266700000000, -0.0000506500000000, -0.0000102300000000 ] - [ -0.0045201100000000, 0.0098665900000000, -0.0107345100000000 ] - [ -0.0001552700000000, -0.0000426700000000, 0.0000399900000000 ] - [ -0.0002655400000000, 0.0006905400000000, -0.0014857800000000 ] - [ -0.0001025400000000, 0.0002480700000000, -0.0005800200000000 ] - [ -0.0019314100000000, 0.0025738500000000, -0.0029915000000000 ] - [ 0.0019354800000000, 0.0010413500000000, 0.0053181200000000 ] - [ 0.0233060500000000, -0.0521755800000000, 0.1480509600000000 ] - [ -0.0001750000000000, -0.0013421100000000, 0.0036026400000000 ] - [ -0.0018184500000000, -0.0001831800000000, -0.0033357100000000 ] - [ -0.0012129500000000, -0.0002647500000000, -0.0019709400000000 ] - [ -0.0020251500000000, -0.0008164600000000, -0.0036861000000000 ] - [ 0.0006243200000000, -0.0006462000000000, 0.0003114900000000 ] - [ 0.0001609300000000, -0.0012765300000000, -0.0002695200000000 ] - [ 0.0003090400000000, -0.0005558800000000, -0.0001468400000000 ] - [ 0.0006265000000000, 0.0011440400000000, 0.0000132800000000 ] - [ 0.0005613900000000, 0.0003671600000000, 0.0001023900000000 ] - [ 0.0001795400000000, 0.0003464100000000, -0.0005962800000000 ] - [ 0.0020494500000000, 0.0011311900000000, 0.0037957600000000 ] - [ 0.0017340200000000, 0.0017816300000000, 0.0031129300000000 ] - [ 0.0010484500000000, 0.0001847200000000, 0.0016020200000000 ] - [ 0.0000752200000000, -0.0000123400000000, -0.0010019200000000 ] - [ -0.0000462900000000, 0.0000794500000000, -0.0012267200000000 ] - [ -0.0002392100000000, -0.0000075100000000, -0.0015661800000000 ] - [ -0.0061911400000000, 0.0103185600000000, -0.0148202300000000 ] - [ 0.0003733600000000, -0.0034269400000000, -0.0012362900000000 ] - [ -0.0007671400000000, -0.0001863800000000, 0.0000736600000000 ] - [ -0.0010550600000000, 0.0003075500000000, -0.0013920400000000 ] - [ -0.0007960800000000, 0.0013165600000000, -0.0025116900000000 ] - [ -0.0040355900000000, -0.0017347600000000, -0.0067733500000000 ] - [ -0.0004863400000000, -0.0004461900000000, -0.0017374600000000 ] - [ 0.0208990200000000, -0.0289017400000000, -0.0072840600000000 ] - [ 0.0008336900000000, 0.0009329200000000, -0.0014629100000000 ] - [ 0.0002318400000000, 0.0000848400000000, 0.0008936100000000 ] - [ 0.0001299500000000, 0.0001039000000000, 0.0004248700000000 ] - [ 0.0004357400000000, 0.0003730600000000, 0.0009982900000000 ] - [ -0.0003369000000000, 0.0004885800000000, 0.0003197500000000 ] - [ -0.0001192000000000, 0.0011576500000000, 0.0007058100000000 ] - [ 0.0001511600000000, 0.0004195000000000, 0.0003374000000000 ] - [ -0.0003302900000000, -0.0010884200000000, 0.0007063000000000 ] - [ -0.0002318500000000, -0.0003723200000000, 0.0003271200000000 ] - [ 0.0002143300000000, -0.0003877300000000, 0.0004898800000000 ] - [ -0.0007625900000000, -0.0006032700000000, -0.0012581500000000 ] - [ 0.0000875500000000, -0.0014501300000000, -0.0010353000000000 ] - [ -0.0000634400000000, -0.0000484900000000, -0.0003856100000000 ] - [ -0.0000853900000000, 0.0000241800000000, 0.0007252400000000 ] - [ -0.0000528900000000, -0.0000299100000000, 0.0008019300000000 ] - [ 0.0000251500000000, -0.0000027200000000, 0.0009563600000000 ] - [ 0.0026931800000000, -0.0040293800000000, 0.0037006000000000 ] - [ -0.0020404200000000, 0.0018232400000000, 0.0014631200000000 ] - [ 0.0004194400000000, 0.0000865100000000, -0.0004385300000000 ] - [ 0.0001900100000000, -0.0000922400000000, 0.0001879800000000 ] - [ -0.0005366000000000, -0.0004902300000000, 0.0010606100000000 ] - [ 0.0012180600000000, 0.0011455100000000, 0.0017847900000000 ] - [ -0.0037104800000000, -0.0014831000000000, -0.0013126200000000 ] - [ 0.0432870400000000, -0.0043339300000000, 0.0563780300000000 ] - [ 0.0003879600000000, -0.0004606900000000, -0.0018771600000000 ] - [ 0.0006534400000000, 0.0002922500000000, 0.0021624400000000 ] - [ 0.0004333800000000, 0.0002467200000000, 0.0010337300000000 ] - [ 0.0018514000000000, -0.0004385800000000, 0.0031782900000000 ] - [ -0.0003689500000000, -0.0001026300000000, -0.0002395200000000 ] - [ -0.0004317300000000, -0.0005348500000000, -0.0001286900000000 ] - [ 0.0000847300000000, -0.0002938300000000, -0.0000138300000000 ] - [ 0.0000483600000000, -0.0001191900000000, 0.0010909500000000 ] - [ -0.0001109600000000, 0.0000239100000000, 0.0006461100000000 ] - [ 0.0002596200000000, -0.0000176800000000, 0.0011292400000000 ] - [ -0.0003950700000000, -0.0017100000000000, -0.0019979900000000 ] - [ -0.0014216400000000, -0.0015655800000000, -0.0018239800000000 ] - [ -0.0003502600000000, -0.0002680300000000, -0.0007585500000000 ] - [ 0.0001936700000000, 0.0001777000000000, 0.0011163900000000 ] - [ 0.0000999900000000, 0.0002614700000000, 0.0012475400000000 ] - [ 0.0004170900000000, 0.0002711000000000, 0.0015929700000000 ] - [ 0.0234359200000000, 0.0204350900000000, 0.0274690200000000 ] - [ -0.0020905700000000, 0.0010281700000000, -0.0013017700000000 ] - [ 0.0005329400000000, -0.0003103300000000, -0.0012714300000000 ] - [ 0.0004302400000000, -0.0000472100000000, 0.0008509400000000 ] - [ 0.0005957200000000, -0.0003119700000000, 0.0016768800000000 ] - [ 0.0020535600000000, -0.0004498000000000, 0.0040158800000000 ] - [ -0.1120096900000000, 0.0192799500000000, -0.2786695000000000 ] - [ -0.0017781500000000, -0.0002060200000000, -0.0040614600000000 ] - [ -0.0006883000000000, -0.0000634800000000, -0.0036254500000000 ] - [ 0.0001804200000000, -0.0004127000000000, 0.0009166300000000 ] - [ 0.0007857500000000, -0.0004134100000000, 0.0021243800000000 ] - [ 0.0010234200000000, -0.0001380200000000, 0.0022124300000000 ] - [ 0.0004565700000000, 0.0000046100000000, 0.0005162100000000 ] - [ -0.0001361500000000, -0.0003637600000000, -0.0000554400000000 ] - [ 0.0001945200000000, -0.0003288000000000, 0.0001293200000000 ] - [ 0.0005062300000000, -0.0004079000000000, 0.0010271300000000 ] - [ 0.0002410100000000, -0.0004924500000000, 0.0008211700000000 ] - [ 0.0007635000000000, -0.0003112100000000, 0.0014891400000000 ] - [ -0.0001582200000000, 0.0004838000000000, -0.0006328900000000 ] - [ -0.0007828700000000, 0.0009454900000000, -0.0020246100000000 ] - [ -0.0001351000000000, 0.0005178500000000, -0.0010738900000000 ] - [ 0.0008092700000000, 0.0003114000000000, 0.0018406800000000 ] - [ 0.0005230300000000, 0.0003309600000000, 0.0013465500000000 ] - [ 0.0007705700000000, 0.0003871100000000, 0.0016032300000000 ] - [ -0.0005935700000000, 0.0005398700000000, 0.0005907600000000 ] - [ 0.0046452600000000, -0.0036976400000000, 0.0089207800000000 ] - [ 0.0002309100000000, 0.0005335900000000, 0.0000779400000000 ] - [ -0.0002406700000000, 0.0006647000000000, 0.0007336800000000 ] - [ -0.0002654700000000, 0.0002850500000000, -0.0001204200000000 ] - [ 0.0038841800000000, -0.0002990200000000, 0.0086080300000000 ]- atom: 121 displacement: [ 0.0037952304666203, 0.0000000000000000, -0.0092518228314877 ] forces: - [ -0.0002053700000000, 0.0001148700000000, -0.0000653100000000 ] - [ -0.0021639700000000, 0.0021995300000000, 0.0011117100000000 ] - [ 0.0021239100000000, 0.0021746400000000, 0.0001287100000000 ] - [ -0.0000981900000000, -0.0009380700000000, 0.0014819500000000 ] - [ -0.0004348900000000, -0.0005960600000000, 0.0009548200000000 ] - [ 0.0001363900000000, -0.0004345400000000, 0.0005878700000000 ] - [ -0.0015932200000000, -0.0017026800000000, 0.0000802500000000 ] - [ 0.0019094700000000, -0.0023815100000000, 0.0001516200000000 ] - [ 0.0002360600000000, -0.0004722500000000, -0.0004767000000000 ] - [ -0.0001474800000000, 0.0000724100000000, 0.0005560700000000 ] - [ 0.0003234400000000, -0.0000573900000000, 0.0003976900000000 ] - [ 0.0001495900000000, 0.0004637100000000, 0.0011137400000000 ] - [ 0.0006851500000000, 0.0005920300000000, -0.0034752600000000 ] - [ -0.0005425600000000, -0.0002512000000000, -0.0007693600000000 ] - [ 0.0014677100000000, -0.0006584700000000, -0.0010176600000000 ] - [ -0.0001194800000000, 0.0004262200000000, 0.0004584600000000 ] - [ -0.0000283700000000, 0.0006345800000000, 0.0010381000000000 ] - [ 0.0004769400000000, 0.0004959800000000, 0.0005607600000000 ] - [ 0.0011330300000000, 0.0014215500000000, -0.0016124000000000 ] - [ -0.0014254300000000, 0.0017341000000000, -0.0030933900000000 ] - [ -0.0001095800000000, 0.0005299300000000, -0.0008161700000000 ] - [ 0.0001367000000000, -0.0000148200000000, 0.0008802000000000 ] - [ -0.0002936500000000, 0.0000637400000000, 0.0007509600000000 ] - [ -0.0002455100000000, -0.0001139200000000, 0.0012617600000000 ] - [ -0.0085929900000000, -0.0397222700000000, -0.0548199000000000 ] - [ -0.0020776100000000, -0.0008878600000000, -0.0025745500000000 ] - [ -0.0001151900000000, -0.0008267400000000, -0.0015057100000000 ] - [ 0.0003960300000000, 0.0006464000000000, 0.0010206800000000 ] - [ 0.0006884000000000, 0.0010661400000000, 0.0016407200000000 ] - [ 0.0011451600000000, 0.0015552300000000, 0.0022519700000000 ] - [ -0.0002300100000000, 0.0003155300000000, -0.0005573500000000 ] - [ -0.0004780600000000, 0.0003217900000000, -0.0007864100000000 ] - [ -0.0002335000000000, 0.0003331100000000, -0.0005628800000000 ] - [ 0.0002046400000000, -0.0002492700000000, 0.0005193500000000 ] - [ 0.0000942700000000, -0.0001818200000000, 0.0004701300000000 ] - [ 0.0004252700000000, -0.0004467500000000, 0.0008937300000000 ] - [ -0.0003624600000000, -0.0004752900000000, -0.0007426000000000 ] - [ -0.0006910700000000, -0.0008445200000000, -0.0012165800000000 ] - [ -0.0001944500000000, -0.0004706900000000, -0.0006431800000000 ] - [ 0.0003267200000000, 0.0004396200000000, 0.0008241400000000 ] - [ 0.0001032600000000, 0.0002090100000000, 0.0004491600000000 ] - [ 0.0003275600000000, 0.0004179100000000, 0.0007581100000000 ] - [ -0.0005853200000000, -0.0001322100000000, 0.0001786200000000 ] - [ 0.0046698400000000, -0.0099831500000000, 0.0108853300000000 ] - [ 0.0003025100000000, -0.0001421600000000, 0.0001307800000000 ] - [ 0.0004177800000000, -0.0008850800000000, 0.0016697500000000 ] - [ 0.0002455000000000, -0.0004352600000000, 0.0007547600000000 ] - [ 0.0020726900000000, -0.0027432000000000, 0.0031518100000000 ] - [ -0.0030524800000000, -0.0012361000000000, -0.0057327200000000 ] - [ -0.0208233300000000, 0.0488456700000000, -0.1442836500000000 ] - [ -0.0009519600000000, 0.0011521400000000, -0.0040519400000000 ] - [ 0.0007123400000000, -0.0000166700000000, 0.0029078200000000 ] - [ 0.0001017800000000, 0.0000607700000000, 0.0015414100000000 ] - [ 0.0009037900000000, 0.0006073900000000, 0.0032386400000000 ] - [ 0.0004932300000000, 0.0004376100000000, 0.0001303200000000 ] - [ 0.0009564400000000, 0.0010613000000000, 0.0007157800000000 ] - [ 0.0008010400000000, 0.0003499500000000, 0.0005820600000000 ] - [ 0.0004916300000000, -0.0013561000000000, 0.0004272700000000 ] - [ 0.0005503400000000, -0.0005755100000000, 0.0003311800000000 ] - [ 0.0009278000000000, -0.0005519200000000, 0.0010259200000000 ] - [ -0.0009336900000000, -0.0009359400000000, -0.0033631100000000 ] - [ -0.0006210000000000, -0.0015794400000000, -0.0026806200000000 ] - [ 0.0000595500000000, 0.0000171900000000, -0.0011709800000000 ] - [ 0.0010432400000000, 0.0002172700000000, 0.0014434000000000 ] - [ 0.0011582000000000, 0.0001256500000000, 0.0016605700000000 ] - [ 0.0013495100000000, 0.0002100300000000, 0.0020011500000000 ] - [ 0.0050562500000000, -0.0099440000000000, 0.0143240700000000 ] - [ -0.0014695800000000, 0.0036641700000000, 0.0008481900000000 ] - [ -0.0003577200000000, 0.0003931200000000, -0.0005192400000000 ] - [ -0.0000556400000000, -0.0001040300000000, 0.0009565700000000 ] - [ -0.0003127800000000, -0.0011036100000000, 0.0020821900000000 ] - [ 0.0029187200000000, 0.0019538200000000, 0.0063298900000000 ] - [ 0.0007266700000000, 0.0004971800000000, 0.0012849800000000 ] - [ -0.0205407900000000, 0.0291117500000000, 0.0064086600000000 ] - [ -0.0005892300000000, -0.0008923900000000, 0.0010138500000000 ] - [ 0.0000039300000000, -0.0000279300000000, -0.0013435500000000 ] - [ 0.0001034600000000, -0.0000613000000000, -0.0008833100000000 ] - [ -0.0001891300000000, -0.0003215400000000, -0.0014480300000000 ] - [ 0.0000921900000000, -0.0004377100000000, 0.0001317500000000 ] - [ -0.0001146400000000, -0.0011064200000000, -0.0002514400000000 ] - [ -0.0003889900000000, -0.0003596800000000, 0.0001115100000000 ] - [ 0.0000832700000000, 0.0011421900000000, -0.0002559600000000 ] - [ 0.0000014900000000, 0.0004174500000000, 0.0001295600000000 ] - [ -0.0004509500000000, 0.0004479500000000, -0.0000397900000000 ] - [ 0.0005192500000000, 0.0005652700000000, 0.0017120200000000 ] - [ -0.0003234400000000, 0.0014107800000000, 0.0014952200000000 ] - [ -0.0001727200000000, -0.0000089300000000, 0.0008348000000000 ] - [ -0.0001602800000000, -0.0000723500000000, -0.0002733400000000 ] - [ -0.0001786100000000, -0.0000123500000000, -0.0003447300000000 ] - [ -0.0002640000000000, -0.0000548600000000, -0.0005067300000000 ] - [ -0.0024800200000000, 0.0039086000000000, -0.0041755100000000 ] - [ 0.0022950600000000, -0.0018802400000000, -0.0019513100000000 ] - [ -0.0001700500000000, -0.0001371200000000, -0.0000134500000000 ] - [ 0.0000484000000000, 0.0000335900000000, -0.0006363400000000 ] - [ 0.0007676700000000, 0.0004425100000000, -0.0015170200000000 ] - [ -0.0009736400000000, -0.0012001900000000, -0.0022333800000000 ] - [ 0.0039473100000000, 0.0014440000000000, 0.0009100800000000 ] - [ -0.0420119600000000, 0.0042538000000000, -0.0559570000000000 ] - [ -0.0001259000000000, 0.0004496300000000, 0.0014700500000000 ] - [ -0.0003814500000000, -0.0003228700000000, -0.0025867200000000 ] - [ -0.0001251500000000, -0.0002585200000000, -0.0014413500000000 ] - [ -0.0015879200000000, 0.0004235700000000, -0.0035774000000000 ] - [ 0.0001134500000000, 0.0000958900000000, 0.0006493300000000 ] - [ 0.0001213800000000, 0.0005360600000000, 0.0005230900000000 ] - [ -0.0003653000000000, 0.0002645400000000, 0.0004305800000000 ] - [ -0.0003080400000000, 0.0001131300000000, -0.0006807600000000 ] - [ -0.0001952700000000, -0.0000325600000000, -0.0002423900000000 ] - [ -0.0005362300000000, -0.0000125000000000, -0.0007085500000000 ] - [ 0.0001390400000000, 0.0017248600000000, 0.0024163300000000 ] - [ 0.0011140500000000, 0.0015767200000000, 0.0022324500000000 ] - [ 0.0000740900000000, 0.0002995900000000, 0.0011777500000000 ] - [ -0.0004511000000000, -0.0001688900000000, -0.0007060900000000 ] - [ -0.0004055400000000, -0.0002514600000000, -0.0008434400000000 ] - [ -0.0006967400000000, -0.0002393600000000, -0.0011765400000000 ] - [ -0.0232325000000000, -0.0205473300000000, -0.0277593100000000 ] - [ 0.0024253500000000, -0.0010297500000000, 0.0008716900000000 ] - [ -0.0002691800000000, 0.0003176900000000, 0.0008612600000000 ] - [ -0.0001508600000000, 0.0000776400000000, -0.0012683700000000 ] - [ -0.0002889600000000, 0.0003220200000000, -0.0020820700000000 ] - [ -0.0017982500000000, 0.0004553800000000, -0.0044277000000000 ] - [ 0.1088574300000000, -0.0156238500000000, 0.2739883500000000 ] - [ 0.0013234600000000, -0.0006163900000000, 0.0032171300000000 ] - [ 0.0002442500000000, -0.0007428600000000, 0.0027631000000000 ] - [ -0.0006876300000000, -0.0004007600000000, -0.0017902800000000 ] - [ -0.0012507800000000, -0.0004105100000000, -0.0029741600000000 ] - [ -0.0014771000000000, -0.0006675800000000, -0.0030766800000000 ] - [ -0.0000037400000000, -0.0008076100000000, 0.0003486500000000 ] - [ 0.0006022000000000, -0.0004577900000000, 0.0009113000000000 ] - [ 0.0003137800000000, -0.0004841700000000, 0.0007443300000000 ] - [ -0.0000554900000000, -0.0003960200000000, -0.0001658400000000 ] - [ 0.0002271400000000, -0.0003294400000000, 0.0000320100000000 ] - [ -0.0002597700000000, -0.0005006400000000, -0.0006215200000000 ] - [ 0.0006111100000000, 0.0003215200000000, 0.0014950100000000 ] - [ 0.0012520700000000, -0.0001215400000000, 0.0028756200000000 ] - [ 0.0006409100000000, 0.0002965400000000, 0.0019457700000000 ] - [ -0.0003595300000000, 0.0004943400000000, -0.0009802500000000 ] - [ -0.0000559700000000, 0.0004923400000000, -0.0004936100000000 ] - [ -0.0002629600000000, 0.0004271000000000, -0.0007305500000000 ] - [ 0.0000913700000000, 0.0002687200000000, -0.0014686500000000 ] - [ -0.0051051300000000, 0.0044694000000000, -0.0097551000000000 ] - [ -0.0006805500000000, 0.0002699300000000, -0.0009371100000000 ] - [ -0.0002854200000000, 0.0001417800000000, -0.0016239700000000 ] - [ -0.0001958300000000, 0.0005393400000000, -0.0007322500000000 ] - [ -0.0043084000000000, 0.0010690100000000, -0.0094270400000000 ]