# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4abed145-29f8-4846-ac87-5f8efd057663/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 BaTm2O4 / Cmcm (63) / materials id 752684](https://mdr.nims.go.jp/datasets/895c5cfb-4574-43de-9d31-bf03c62b3352) ## 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: "Cmcm" number: 63 Hall_symbol: "-C 2c 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 4, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 1.680623675000000, -5.529453525000000, 0.000000000000000 ] # a - [ 1.680623675000000, 5.529453525000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.267984530000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.886937480000000, 0.113062520000000, 0.750000000000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.113062520000000, 0.886937480000000, 0.250000000000000 ] mass: 137.327000 - symbol: Tm # 3 coordinates: [ 0.634398940000000, 0.365601060000000, 0.930014340000000 ] mass: 168.934210 - symbol: Tm # 4 coordinates: [ 0.634398940000000, 0.365601060000000, 0.569985660000000 ] mass: 168.934210 - symbol: Tm # 5 coordinates: [ 0.365601060000000, 0.634398940000000, 0.069985660000000 ] mass: 168.934210 - symbol: Tm # 6 coordinates: [ 0.365601060000000, 0.634398940000000, 0.430014340000000 ] mass: 168.934210 - symbol: O # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.566047010000000, 0.433952990000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.740053320000000, 0.259946680000000, 0.100793760000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.740053320000000, 0.259946680000000, 0.399206240000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.433952990000000, 0.566047010000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.259946680000000, 0.740053320000000, 0.899206240000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.259946680000000, 0.740053320000000, 0.600793760000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.297508601977775, -0.090424848990841, 0.000000000000000 ] # a* - [ 0.297508601977775, 0.090424848990841, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.088747015700775 ] # c*unit_cell: lattice: - [ 3.361247350000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.058907050000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.267984530000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.500000000000000, 0.613062520000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.000000000000000, 0.886937480000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.000000000000000, 0.113062520000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 4 coordinates: [ 0.500000000000000, 0.386937480000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Tm # 5 coordinates: [ 0.500000000000000, 0.865601060000000, 0.930014340000000 ] mass: 168.934210 reduced_to: 5 - symbol: Tm # 6 coordinates: [ 0.500000000000000, 0.865601060000000, 0.569985660000000 ] mass: 168.934210 reduced_to: 6 - symbol: Tm # 7 coordinates: [ 0.000000000000000, 0.634398940000000, 0.069985660000000 ] mass: 168.934210 reduced_to: 7 - symbol: Tm # 8 coordinates: [ 0.000000000000000, 0.634398940000000, 0.430014340000000 ] mass: 168.934210 reduced_to: 8 - symbol: Tm # 9 coordinates: [ 0.000000000000000, 0.365601060000000, 0.930014340000000 ] mass: 168.934210 reduced_to: 5 - symbol: Tm # 10 coordinates: [ 0.000000000000000, 0.365601060000000, 0.569985660000000 ] mass: 168.934210 reduced_to: 6 - symbol: Tm # 11 coordinates: [ 0.500000000000000, 0.134398940000000, 0.069985660000000 ] mass: 168.934210 reduced_to: 7 - symbol: Tm # 12 coordinates: [ 0.500000000000000, 0.134398940000000, 0.430014340000000 ] mass: 168.934210 reduced_to: 8 - symbol: O # 13 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.500000000000000, 0.933952990000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.500000000000000, 0.759946680000000, 0.100793760000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.500000000000000, 0.759946680000000, 0.399206240000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.000000000000000, 0.566047010000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.000000000000000, 0.740053320000000, 0.899206240000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.000000000000000, 0.740053320000000, 0.600793760000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.433952990000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 24 coordinates: [ 0.000000000000000, 0.259946680000000, 0.100793760000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 25 coordinates: [ 0.000000000000000, 0.259946680000000, 0.399206240000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 26 coordinates: [ 0.500000000000000, 0.066047010000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 27 coordinates: [ 0.500000000000000, 0.240053320000000, 0.899206240000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 28 coordinates: [ 0.500000000000000, 0.240053320000000, 0.600793760000000 ] mass: 15.999400 reduced_to: 20supercell: lattice: - [ 13.444989400000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.058907050000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.267984530000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.125000000000000, 0.613062520000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.375000000000000, 0.613062520000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 3 coordinates: [ 0.625000000000000, 0.613062520000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 4 coordinates: [ 0.875000000000000, 0.613062520000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 5 coordinates: [ 0.000000000000000, 0.886937480000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.250000000000000, 0.886937480000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 7 coordinates: [ 0.500000000000000, 0.886937480000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 8 coordinates: [ 0.750000000000000, 0.886937480000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 9 coordinates: [ 0.000000000000000, 0.113062520000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 10 coordinates: [ 0.250000000000000, 0.113062520000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 11 coordinates: [ 0.500000000000000, 0.113062520000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 12 coordinates: [ 0.750000000000000, 0.113062520000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 13 coordinates: [ 0.125000000000000, 0.386937480000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 14 coordinates: [ 0.375000000000000, 0.386937480000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 15 coordinates: [ 0.625000000000000, 0.386937480000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 16 coordinates: [ 0.875000000000000, 0.386937480000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Tm # 17 coordinates: [ 0.125000000000000, 0.865601060000000, 0.930014340000000 ] mass: 168.934210 reduced_to: 17 - symbol: Tm # 18 coordinates: [ 0.375000000000000, 0.865601060000000, 0.930014340000000 ] mass: 168.934210 reduced_to: 17 - symbol: Tm # 19 coordinates: [ 0.625000000000000, 0.865601060000000, 0.930014340000000 ] mass: 168.934210 reduced_to: 17 - symbol: Tm # 20 coordinates: [ 0.875000000000000, 0.865601060000000, 0.930014340000000 ] mass: 168.934210 reduced_to: 17 - symbol: Tm # 21 coordinates: [ 0.125000000000000, 0.865601060000000, 0.569985660000000 ] mass: 168.934210 reduced_to: 21 - symbol: Tm # 22 coordinates: [ 0.375000000000000, 0.865601060000000, 0.569985660000000 ] mass: 168.934210 reduced_to: 21 - symbol: Tm # 23 coordinates: [ 0.625000000000000, 0.865601060000000, 0.569985660000000 ] mass: 168.934210 reduced_to: 21 - symbol: Tm # 24 coordinates: [ 0.875000000000000, 0.865601060000000, 0.569985660000000 ] mass: 168.934210 reduced_to: 21 - symbol: Tm # 25 coordinates: [ 0.000000000000000, 0.634398940000000, 0.069985660000000 ] mass: 168.934210 reduced_to: 25 - symbol: Tm # 26 coordinates: [ 0.250000000000000, 0.634398940000000, 0.069985660000000 ] mass: 168.934210 reduced_to: 25 - symbol: Tm # 27 coordinates: [ 0.500000000000000, 0.634398940000000, 0.069985660000000 ] mass: 168.934210 reduced_to: 25 - symbol: Tm # 28 coordinates: [ 0.750000000000000, 0.634398940000000, 0.069985660000000 ] mass: 168.934210 reduced_to: 25 - symbol: Tm # 29 coordinates: [ 0.000000000000000, 0.634398940000000, 0.430014340000000 ] mass: 168.934210 reduced_to: 29 - symbol: Tm # 30 coordinates: [ 0.250000000000000, 0.634398940000000, 0.430014340000000 ] mass: 168.934210 reduced_to: 29 - symbol: Tm # 31 coordinates: [ 0.500000000000000, 0.634398940000000, 0.430014340000000 ] mass: 168.934210 reduced_to: 29 - symbol: Tm # 32 coordinates: [ 0.750000000000000, 0.634398940000000, 0.430014340000000 ] mass: 168.934210 reduced_to: 29 - symbol: Tm # 33 coordinates: [ 0.000000000000000, 0.365601060000000, 0.930014340000000 ] mass: 168.934210 reduced_to: 17 - symbol: Tm # 34 coordinates: [ 0.250000000000000, 0.365601060000000, 0.930014340000000 ] mass: 168.934210 reduced_to: 17 - symbol: Tm # 35 coordinates: [ 0.500000000000000, 0.365601060000000, 0.930014340000000 ] mass: 168.934210 reduced_to: 17 - symbol: Tm # 36 coordinates: [ 0.750000000000000, 0.365601060000000, 0.930014340000000 ] mass: 168.934210 reduced_to: 17 - symbol: Tm # 37 coordinates: [ 0.000000000000000, 0.365601060000000, 0.569985660000000 ] mass: 168.934210 reduced_to: 21 - symbol: Tm # 38 coordinates: [ 0.250000000000000, 0.365601060000000, 0.569985660000000 ] mass: 168.934210 reduced_to: 21 - symbol: Tm # 39 coordinates: [ 0.500000000000000, 0.365601060000000, 0.569985660000000 ] mass: 168.934210 reduced_to: 21 - symbol: Tm # 40 coordinates: [ 0.750000000000000, 0.365601060000000, 0.569985660000000 ] mass: 168.934210 reduced_to: 21 - symbol: Tm # 41 coordinates: [ 0.125000000000000, 0.134398940000000, 0.069985660000000 ] mass: 168.934210 reduced_to: 25 - symbol: Tm # 42 coordinates: [ 0.375000000000000, 0.134398940000000, 0.069985660000000 ] mass: 168.934210 reduced_to: 25 - symbol: Tm # 43 coordinates: [ 0.625000000000000, 0.134398940000000, 0.069985660000000 ] mass: 168.934210 reduced_to: 25 - symbol: Tm # 44 coordinates: [ 0.875000000000000, 0.134398940000000, 0.069985660000000 ] mass: 168.934210 reduced_to: 25 - symbol: Tm # 45 coordinates: [ 0.125000000000000, 0.134398940000000, 0.430014340000000 ] mass: 168.934210 reduced_to: 29 - symbol: Tm # 46 coordinates: [ 0.375000000000000, 0.134398940000000, 0.430014340000000 ] mass: 168.934210 reduced_to: 29 - symbol: Tm # 47 coordinates: [ 0.625000000000000, 0.134398940000000, 0.430014340000000 ] mass: 168.934210 reduced_to: 29 - symbol: Tm # 48 coordinates: [ 0.875000000000000, 0.134398940000000, 0.430014340000000 ] mass: 168.934210 reduced_to: 29 - symbol: O # 49 coordinates: [ 0.125000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.375000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.625000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.875000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.125000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.375000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.625000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.875000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.125000000000000, 0.933952990000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.375000000000000, 0.933952990000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.625000000000000, 0.933952990000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.875000000000000, 0.933952990000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.125000000000000, 0.759946680000000, 0.100793760000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.375000000000000, 0.759946680000000, 0.100793760000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.625000000000000, 0.759946680000000, 0.100793760000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.875000000000000, 0.759946680000000, 0.100793760000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.125000000000000, 0.759946680000000, 0.399206240000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.375000000000000, 0.759946680000000, 0.399206240000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.625000000000000, 0.759946680000000, 0.399206240000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.875000000000000, 0.759946680000000, 0.399206240000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.000000000000000, 0.566047010000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.250000000000000, 0.566047010000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.500000000000000, 0.566047010000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.750000000000000, 0.566047010000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.740053320000000, 0.899206240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.250000000000000, 0.740053320000000, 0.899206240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.500000000000000, 0.740053320000000, 0.899206240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.750000000000000, 0.740053320000000, 0.899206240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.000000000000000, 0.740053320000000, 0.600793760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.250000000000000, 0.740053320000000, 0.600793760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.500000000000000, 0.740053320000000, 0.600793760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.750000000000000, 0.740053320000000, 0.600793760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 82 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 83 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 84 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 85 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 86 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 87 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 88 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 89 coordinates: [ 0.000000000000000, 0.433952990000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 90 coordinates: [ 0.250000000000000, 0.433952990000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 91 coordinates: [ 0.500000000000000, 0.433952990000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 92 coordinates: [ 0.750000000000000, 0.433952990000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 93 coordinates: [ 0.000000000000000, 0.259946680000000, 0.100793760000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 94 coordinates: [ 0.250000000000000, 0.259946680000000, 0.100793760000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 95 coordinates: [ 0.500000000000000, 0.259946680000000, 0.100793760000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 96 coordinates: [ 0.750000000000000, 0.259946680000000, 0.100793760000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 97 coordinates: [ 0.000000000000000, 0.259946680000000, 0.399206240000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 98 coordinates: [ 0.250000000000000, 0.259946680000000, 0.399206240000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 99 coordinates: [ 0.500000000000000, 0.259946680000000, 0.399206240000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 100 coordinates: [ 0.750000000000000, 0.259946680000000, 0.399206240000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 101 coordinates: [ 0.125000000000000, 0.066047010000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 102 coordinates: [ 0.375000000000000, 0.066047010000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 103 coordinates: [ 0.625000000000000, 0.066047010000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 104 coordinates: [ 0.875000000000000, 0.066047010000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 105 coordinates: [ 0.125000000000000, 0.240053320000000, 0.899206240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 106 coordinates: [ 0.375000000000000, 0.240053320000000, 0.899206240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 107 coordinates: [ 0.625000000000000, 0.240053320000000, 0.899206240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 108 coordinates: [ 0.875000000000000, 0.240053320000000, 0.899206240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 109 coordinates: [ 0.125000000000000, 0.240053320000000, 0.600793760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 110 coordinates: [ 0.375000000000000, 0.240053320000000, 0.600793760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 111 coordinates: [ 0.625000000000000, 0.240053320000000, 0.600793760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 112 coordinates: [ 0.875000000000000, 0.240053320000000, 0.600793760000000 ] mass: 15.999400 reduced_to: 77born_effective_charge:- # 1 (Ba) - [ 2.690308380000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.909916810000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.473769200000000 ]- # 2 (Ba) - [ 2.690308380000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.909916810000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.473769200000000 ]- # 3 (Tm) - [ 4.020829050000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 3.668591180000000, -0.393324480000000 ] - [ -0.000000000000000, -0.381177360000000, 3.652059840000000 ]- # 4 (Tm) - [ 4.020829050000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.668591180000000, 0.393324480000000 ] - [ 0.000000000000000, 0.381177360000000, 3.652059840000000 ]- # 5 (Tm) - [ 4.020829050000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 3.668591180000000, -0.393324480000000 ] - [ -0.000000000000000, -0.381177360000000, 3.652059840000000 ]- # 6 (Tm) - [ 4.020829050000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.668591180000000, 0.393324480000000 ] - [ 0.000000000000000, 0.381177360000000, 3.652059840000000 ]- # 7 (O) - [ -3.011663430000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.611393060000000, 0.449476060000000 ] - [ 0.000000000000000, 0.417764600000000, -1.966811370000000 ]- # 8 (O) - [ -3.011663430000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -2.611393060000000, -0.449476060000000 ] - [ -0.000000000000000, -0.417764600000000, -1.966811370000000 ]- # 9 (O) - [ -1.945805850000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.571969050000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.296668240000000 ]- # 10 (O) - [ -2.887248590000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -2.531868530000000, -0.110385360000000 ] - [ -0.000000000000000, -0.013063400000000, -2.257204630000000 ]- # 11 (O) - [ -2.887248590000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.531868530000000, 0.110385360000000 ] - [ 0.000000000000000, 0.013063400000000, -2.257204630000000 ]- # 12 (O) - [ -1.945805850000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.571969050000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.296668240000000 ]- # 13 (O) - [ -2.887248590000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -2.531868530000000, -0.110385360000000 ] - [ -0.000000000000000, -0.013063400000000, -2.257204630000000 ]- # 14 (O) - [ -2.887248590000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.531868530000000, 0.110385360000000 ] - [ 0.000000000000000, 0.013063400000000, -2.257204630000000 ]dielectric_constant: - [ 4.524841490000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.389256270000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.187535240000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1009442500000000, -0.0020963000000000, 0.0000000000000000 ] - [ 0.0292020900000000, -0.0017484100000000, 0.0000000000000000 ] - [ 0.0047247700000000, -0.0023487000000000, 0.0000000000000000 ] - [ 0.0287117900000000, -0.0029395000000000, 0.0000000000000000 ] - [ -0.0007715300000000, 0.0020486500000000, 0.0000000000000000 ] - [ -0.0007778300000000, 0.0026522900000000, 0.0000000000000000 ] - [ 0.0007721500000000, 0.0026161900000000, 0.0000000000000000 ] - [ 0.0007749300000000, 0.0020873300000000, 0.0000000000000000 ] - [ -0.0010277000000000, -0.0020065200000000, 0.0000000000000000 ] - [ -0.0010378200000000, -0.0027039100000000, 0.0000000000000000 ] - [ 0.0011135700000000, -0.0023679900000000, 0.0000000000000000 ] - [ 0.0011202300000000, -0.0023373800000000, 0.0000000000000000 ] - [ -0.0012872800000000, 0.0023558000000000, 0.0000000000000000 ] - [ 0.0001378000000000, 0.0018691700000000, 0.0000000000000000 ] - [ 0.0011001900000000, 0.0023508800000000, 0.0000000000000000 ] - [ 0.0001457500000000, 0.0028322800000000, 0.0000000000000000 ] - [ -0.0116602200000000, -0.0003430200000000, -0.0008516600000000 ] - [ 0.0033103400000000, 0.0031764900000000, 0.0013570600000000 ] - [ 0.0031667000000000, -0.0002867300000000, -0.0007992100000000 ] - [ 0.0033283700000000, -0.0037529100000000, -0.0029498300000000 ] - [ -0.0116602200000000, -0.0003430200000000, 0.0008516600000000 ] - [ 0.0033103400000000, 0.0031764900000000, -0.0013570600000000 ] - [ 0.0031667000000000, -0.0002867300000000, 0.0007992100000000 ] - [ 0.0033283700000000, -0.0037529100000000, 0.0029498300000000 ] - [ -0.0016805700000000, 0.0012034700000000, -0.0064141300000000 ] - [ -0.0017240700000000, -0.0006281500000000, 0.0080298100000000 ] - [ 0.0023244000000000, 0.0003811400000000, 0.0018613400000000 ] - [ 0.0023295500000000, 0.0002054200000000, -0.0002498200000000 ] - [ -0.0016805700000000, 0.0012034700000000, 0.0064141300000000 ] - [ -0.0017240700000000, -0.0006281500000000, -0.0080298100000000 ] - [ 0.0023244000000000, 0.0003811400000000, -0.0018613400000000 ] - [ 0.0023295500000000, 0.0002054200000000, 0.0002498200000000 ] - [ -0.0011424500000000, 0.0076877900000000, -0.0089745500000000 ] - [ -0.0011969500000000, -0.0082879100000000, 0.0074010000000000 ] - [ 0.0025242700000000, -0.0014893200000000, 0.0004249500000000 ] - [ 0.0025230500000000, 0.0008943600000000, -0.0020152900000000 ] - [ -0.0011424500000000, 0.0076877900000000, 0.0089745500000000 ] - [ -0.0011969500000000, -0.0082879100000000, -0.0074010000000000 ] - [ 0.0025242700000000, -0.0014893200000000, -0.0004249500000000 ] - [ 0.0025230500000000, 0.0008943600000000, 0.0020152900000000 ] - [ -0.0020237900000000, 0.0002909700000000, 0.0007982900000000 ] - [ 0.0002299800000000, 0.0001003700000000, 0.0013203100000000 ] - [ 0.0015538900000000, 0.0002907900000000, 0.0008013300000000 ] - [ 0.0002407100000000, 0.0004790700000000, 0.0002819000000000 ] - [ -0.0020237900000000, 0.0002909700000000, -0.0007982900000000 ] - [ 0.0002299800000000, 0.0001003700000000, -0.0013203100000000 ] - [ 0.0015538900000000, 0.0002907900000000, -0.0008013300000000 ] - [ 0.0002407100000000, 0.0004790700000000, -0.0002819000000000 ] - [ 0.0074687000000000, -0.0000140700000000, -0.0000361400000000 ] - [ -0.0014186900000000, 0.0006415400000000, 0.0020980000000000 ] - [ -0.0018775700000000, 0.0000009200000000, 0.0000014600000000 ] - [ -0.0014229100000000, -0.0006367200000000, -0.0020816400000000 ] - [ 0.0074687000000000, -0.0000140700000000, 0.0000361400000000 ] - [ -0.0014186900000000, 0.0006415400000000, -0.0020980000000000 ] - [ -0.0018775700000000, 0.0000009200000000, -0.0000014600000000 ] - [ -0.0014229100000000, -0.0006367200000000, 0.0020816400000000 ] - [ 0.0033193100000000, 0.0015482200000000, 0.0000000000000000 ] - [ -0.0007955000000000, -0.0004423500000000, 0.0000000000000000 ] - [ -0.0012128000000000, 0.0015111500000000, 0.0000000000000000 ] - [ -0.0008017600000000, 0.0034635900000000, 0.0000000000000000 ] - [ 0.0034098300000000, -0.0013831300000000, -0.0027269000000000 ] - [ -0.0007191200000000, -0.0015558000000000, -0.0040289400000000 ] - [ -0.0017954500000000, -0.0013848700000000, -0.0027313200000000 ] - [ -0.0007324100000000, -0.0012133400000000, -0.0014304600000000 ] - [ 0.0034098300000000, -0.0013831300000000, 0.0027269000000000 ] - [ -0.0007191200000000, -0.0015558000000000, 0.0040289400000000 ] - [ -0.0017954500000000, -0.0013848700000000, 0.0027313200000000 ] - [ -0.0007324100000000, -0.0012133400000000, 0.0014304600000000 ] - [ 0.0007696300000000, -0.0023418600000000, 0.0000000000000000 ] - [ 0.0007798500000000, -0.0006829600000000, 0.0000000000000000 ] - [ -0.0007656800000000, -0.0012814300000000, 0.0000000000000000 ] - [ -0.0007678500000000, -0.0017425700000000, 0.0000000000000000 ] - [ 0.0061426500000000, 0.0012562200000000, 0.0018762800000000 ] - [ 0.0063228200000000, 0.0016931800000000, 0.0037765400000000 ] - [ -0.0029230700000000, 0.0001718000000000, 0.0012884700000000 ] - [ -0.0029187800000000, 0.0025799100000000, 0.0041535100000000 ] - [ 0.0061426500000000, 0.0012562200000000, -0.0018762800000000 ] - [ 0.0063228200000000, 0.0016931800000000, -0.0037765400000000 ] - [ -0.0029230700000000, 0.0001718000000000, -0.0012884700000000 ] - [ -0.0029187800000000, 0.0025799100000000, -0.0041535100000000 ] - [ 0.0013462000000000, 0.0006254000000000, -0.0003331000000000 ] - [ 0.0013549900000000, -0.0006191500000000, 0.0003285600000000 ] - [ -0.0013703900000000, -0.0004377500000000, 0.0003242100000000 ] - [ -0.0013769700000000, 0.0004365300000000, -0.0003240300000000 ] - [ 0.0013462000000000, 0.0006254000000000, 0.0003331000000000 ] - [ 0.0013549900000000, -0.0006191500000000, -0.0003285600000000 ] - [ -0.0013703900000000, -0.0004377500000000, -0.0003242100000000 ] - [ -0.0013769700000000, 0.0004365300000000, 0.0003240300000000 ] - [ 0.0102402300000000, 0.0117497300000000, 0.0000000000000000 ] - [ 0.0105264800000000, -0.0092268500000000, 0.0000000000000000 ] - [ -0.0033963900000000, 0.0038389300000000, 0.0000000000000000 ] - [ -0.0033823300000000, -0.0007932500000000, 0.0000000000000000 ] - [ 0.0008801100000000, -0.0025121500000000, -0.0016375800000000 ] - [ 0.0008882400000000, -0.0002552700000000, -0.0038242300000000 ] - [ -0.0008803100000000, -0.0009666500000000, -0.0030197900000000 ] - [ -0.0008833800000000, -0.0017972800000000, -0.0024401100000000 ] - [ 0.0008801100000000, -0.0025121500000000, 0.0016375800000000 ] - [ 0.0008882400000000, -0.0002552700000000, 0.0038242300000000 ] - [ -0.0008803100000000, -0.0009666500000000, 0.0030197900000000 ] - [ -0.0008833800000000, -0.0017972800000000, 0.0024401100000000 ] - [ 0.0007943600000000, -0.0015129000000000, 0.0000000000000000 ] - [ -0.0000455100000000, -0.0012651300000000, 0.0000000000000000 ] - [ -0.0006904700000000, -0.0015126600000000, 0.0000000000000000 ] - [ -0.0000494400000000, -0.0017612000000000, 0.0000000000000000 ] - [ 0.0033552600000000, 0.0013843100000000, 0.0027299000000000 ] - [ -0.0007087900000000, 0.0023810300000000, 0.0023191900000000 ] - [ -0.0017649600000000, 0.0013866600000000, 0.0027284000000000 ] - [ -0.0007186800000000, 0.0003907000000000, 0.0031399500000000 ] - [ 0.0033552600000000, 0.0013843100000000, -0.0027299000000000 ] - [ -0.0007087900000000, 0.0023810300000000, -0.0023191900000000 ] - [ -0.0017649600000000, 0.0013866600000000, -0.0027284000000000 ] - [ -0.0007186800000000, 0.0003907000000000, -0.0031399500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0832128700000000, 0.0000000000000000 ] - [ -0.0006705600000000, -0.0134032000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0032209700000000, 0.0000000000000000 ] - [ 0.0006705600000000, -0.0134032000000000, 0.0000000000000000 ] - [ -0.0003022000000000, 0.0030916400000000, 0.0000000000000000 ] - [ 0.0003022000000000, 0.0030916400000000, 0.0000000000000000 ] - [ 0.0002646800000000, 0.0025362000000000, 0.0000000000000000 ] - [ -0.0002646800000000, 0.0025362000000000, 0.0000000000000000 ] - [ -0.0003588500000000, 0.0030415300000000, 0.0000000000000000 ] - [ 0.0003588500000000, 0.0030415300000000, 0.0000000000000000 ] - [ 0.0000173600000000, -0.0011896500000000, 0.0000000000000000 ] - [ -0.0000173600000000, -0.0011896500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0023585700000000, 0.0000000000000000 ] - [ -0.0004814300000000, 0.0020828000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0023213200000000, 0.0000000000000000 ] - [ 0.0004814300000000, 0.0020828000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0166156900000000, 0.0163792900000000 ] - [ 0.0045899600000000, 0.0020252200000000, 0.0006577900000000 ] - [ 0.0000000000000000, -0.0002981400000000, -0.0007195400000000 ] - [ -0.0045899600000000, 0.0020252200000000, 0.0006577900000000 ] - [ 0.0000000000000000, 0.0166156900000000, -0.0163792900000000 ] - [ 0.0045899600000000, 0.0020252200000000, -0.0006577900000000 ] - [ 0.0000000000000000, -0.0002981400000000, 0.0007195400000000 ] - [ -0.0045899600000000, 0.0020252200000000, -0.0006577900000000 ] - [ 0.0007466900000000, -0.0060447400000000, 0.0035721500000000 ] - [ -0.0007466900000000, -0.0060447400000000, 0.0035721500000000 ] - [ 0.0001385900000000, -0.0009517000000000, 0.0008413700000000 ] - [ -0.0001385900000000, -0.0009517000000000, 0.0008413700000000 ] - [ 0.0007466900000000, -0.0060447400000000, -0.0035721500000000 ] - [ -0.0007466900000000, -0.0060447400000000, -0.0035721500000000 ] - [ 0.0001385900000000, -0.0009517000000000, -0.0008413700000000 ] - [ -0.0001385900000000, -0.0009517000000000, -0.0008413700000000 ] - [ 0.0072898200000000, 0.0094546300000000, -0.0125760000000000 ] - [ -0.0072898200000000, 0.0094546300000000, -0.0125760000000000 ] - [ -0.0012901100000000, -0.0001607900000000, -0.0013230800000000 ] - [ 0.0012901100000000, -0.0001607900000000, -0.0013230800000000 ] - [ 0.0072898200000000, 0.0094546300000000, 0.0125760000000000 ] - [ -0.0072898200000000, 0.0094546300000000, 0.0125760000000000 ] - [ -0.0012901100000000, -0.0001607900000000, 0.0013230800000000 ] - [ 0.0012901100000000, -0.0001607900000000, 0.0013230800000000 ] - [ 0.0000000000000000, 0.0036287600000000, 0.0002042800000000 ] - [ -0.0002378800000000, 0.0022090600000000, 0.0006040000000000 ] - [ 0.0000000000000000, 0.0010444200000000, 0.0007325800000000 ] - [ 0.0002378800000000, 0.0022090600000000, 0.0006040000000000 ] - [ 0.0000000000000000, 0.0036287600000000, -0.0002042800000000 ] - [ -0.0002378800000000, 0.0022090600000000, -0.0006040000000000 ] - [ 0.0000000000000000, 0.0010444200000000, -0.0007325800000000 ] - [ 0.0002378800000000, 0.0022090600000000, -0.0006040000000000 ] - [ 0.0000000000000000, 0.0046449500000000, -0.0062206100000000 ] - [ 0.0013230200000000, 0.0016891800000000, -0.0011512300000000 ] - [ 0.0000000000000000, 0.0004587000000000, -0.0002003400000000 ] - [ -0.0013230200000000, 0.0016891800000000, -0.0011512300000000 ] - [ 0.0000000000000000, 0.0046449500000000, 0.0062206100000000 ] - [ 0.0013230200000000, 0.0016891800000000, 0.0011512300000000 ] - [ 0.0000000000000000, 0.0004587000000000, 0.0002003400000000 ] - [ -0.0013230200000000, 0.0016891800000000, 0.0011512300000000 ] - [ 0.0000000000000000, -0.0096243800000000, 0.0000000000000000 ] - [ -0.0012319000000000, -0.0002582100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011828500000000, 0.0000000000000000 ] - [ 0.0012319000000000, -0.0002582100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002766100000000, -0.0052869700000000 ] - [ -0.0008415600000000, -0.0006294300000000, -0.0038626600000000 ] - [ 0.0000000000000000, -0.0010525300000000, -0.0027926200000000 ] - [ 0.0008415600000000, -0.0006294300000000, -0.0038626600000000 ] - [ 0.0000000000000000, 0.0002766100000000, 0.0052869700000000 ] - [ -0.0008415600000000, -0.0006294300000000, 0.0038626600000000 ] - [ 0.0000000000000000, -0.0010525300000000, 0.0027926200000000 ] - [ 0.0008415600000000, -0.0006294300000000, 0.0038626600000000 ] - [ -0.0003816600000000, 0.0002391300000000, 0.0000000000000000 ] - [ 0.0003816600000000, 0.0002391300000000, 0.0000000000000000 ] - [ 0.0000904900000000, -0.0009862900000000, 0.0000000000000000 ] - [ -0.0000904900000000, -0.0009862900000000, 0.0000000000000000 ] - [ 0.0011611700000000, 0.0060720500000000, 0.0019410600000000 ] - [ -0.0011611700000000, 0.0060720500000000, 0.0019410600000000 ] - [ -0.0006913900000000, 0.0021992000000000, 0.0030204300000000 ] - [ 0.0006913900000000, 0.0021992000000000, 0.0030204300000000 ] - [ 0.0011611700000000, 0.0060720500000000, -0.0019410600000000 ] - [ -0.0011611700000000, 0.0060720500000000, -0.0019410600000000 ] - [ -0.0006913900000000, 0.0021992000000000, -0.0030204300000000 ] - [ 0.0006913900000000, 0.0021992000000000, -0.0030204300000000 ] - [ 0.0010642200000000, -0.0026342500000000, 0.0012709300000000 ] - [ -0.0010642200000000, -0.0026342500000000, 0.0012709300000000 ] - [ -0.0005639100000000, -0.0008897700000000, 0.0003911200000000 ] - [ 0.0005639100000000, -0.0008897700000000, 0.0003911200000000 ] - [ 0.0010642200000000, -0.0026342500000000, -0.0012709300000000 ] - [ -0.0010642200000000, -0.0026342500000000, -0.0012709300000000 ] - [ -0.0005639100000000, -0.0008897700000000, -0.0003911200000000 ] - [ 0.0005639100000000, -0.0008897700000000, -0.0003911200000000 ] - [ 0.0062417700000000, 0.0167406400000000, 0.0000000000000000 ] - [ -0.0062417700000000, 0.0167406400000000, 0.0000000000000000 ] - [ 0.0008793800000000, 0.0023175400000000, 0.0000000000000000 ] - [ -0.0008793800000000, 0.0023175400000000, 0.0000000000000000 ] - [ -0.0005346000000000, -0.0034809200000000, -0.0011433500000000 ] - [ 0.0005346000000000, -0.0034809200000000, -0.0011433500000000 ] - [ 0.0002162700000000, -0.0018001500000000, -0.0025310200000000 ] - [ -0.0002162700000000, -0.0018001500000000, -0.0025310200000000 ] - [ -0.0005346000000000, -0.0034809200000000, 0.0011433500000000 ] - [ 0.0005346000000000, -0.0034809200000000, 0.0011433500000000 ] - [ 0.0002162700000000, -0.0018001500000000, 0.0025310200000000 ] - [ -0.0002162700000000, -0.0018001500000000, 0.0025310200000000 ] - [ 0.0000000000000000, -0.0029559800000000, 0.0000000000000000 ] - [ -0.0000516000000000, -0.0023875400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018990800000000, 0.0000000000000000 ] - [ 0.0000516000000000, -0.0023875400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0032245500000000, 0.0041126300000000 ] - [ 0.0016683700000000, -0.0007050500000000, 0.0029132100000000 ] - [ 0.0000000000000000, 0.0009016900000000, 0.0026740900000000 ] - [ -0.0016683700000000, -0.0007050500000000, 0.0029132100000000 ] - [ 0.0000000000000000, -0.0032245500000000, -0.0041126300000000 ] - [ 0.0016683700000000, -0.0007050500000000, -0.0029132100000000 ] - [ 0.0000000000000000, 0.0009016900000000, -0.0026740900000000 ] - [ -0.0016683700000000, -0.0007050500000000, -0.0029132100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0792656000000000, 0.0000000000000000 ] - [ 0.0005204600000000, 0.0087210800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014816600000000, 0.0000000000000000 ] - [ -0.0005204600000000, 0.0087210800000000, 0.0000000000000000 ] - [ 0.0003018000000000, 0.0016041100000000, 0.0000000000000000 ] - [ -0.0003018000000000, 0.0016041100000000, 0.0000000000000000 ] - [ -0.0002631200000000, 0.0021647800000000, 0.0000000000000000 ] - [ 0.0002631200000000, 0.0021647800000000, 0.0000000000000000 ] - [ 0.0003380700000000, -0.0077540500000000, 0.0000000000000000 ] - [ -0.0003380700000000, -0.0077540500000000, 0.0000000000000000 ] - [ -0.0000141500000000, -0.0035192100000000, 0.0000000000000000 ] - [ 0.0000141500000000, -0.0035192100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0023583100000000, 0.0000000000000000 ] - [ 0.0004822000000000, 0.0026286200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0023881500000000, 0.0000000000000000 ] - [ -0.0004822000000000, 0.0026286200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0171158200000000, -0.0177911200000000 ] - [ -0.0045931600000000, -0.0026304000000000, -0.0022538500000000 ] - [ 0.0000000000000000, -0.0002908900000000, -0.0008820700000000 ] - [ 0.0045931600000000, -0.0026304000000000, -0.0022538500000000 ] - [ 0.0000000000000000, -0.0171158200000000, 0.0177911200000000 ] - [ -0.0045931600000000, -0.0026304000000000, 0.0022538500000000 ] - [ 0.0000000000000000, -0.0002908900000000, 0.0008820700000000 ] - [ 0.0045931600000000, -0.0026304000000000, 0.0022538500000000 ] - [ -0.0007309400000000, 0.0066322300000000, -0.0020152100000000 ] - [ 0.0007309400000000, 0.0066322300000000, -0.0020152100000000 ] - [ -0.0001421400000000, 0.0015394300000000, 0.0007563000000000 ] - [ 0.0001421400000000, 0.0015394300000000, 0.0007563000000000 ] - [ -0.0007309400000000, 0.0066322300000000, 0.0020152100000000 ] - [ 0.0007309400000000, 0.0066322300000000, 0.0020152100000000 ] - [ -0.0001421400000000, 0.0015394300000000, -0.0007563000000000 ] - [ 0.0001421400000000, 0.0015394300000000, -0.0007563000000000 ] - [ -0.0073759000000000, -0.0100902100000000, 0.0111007000000000 ] - [ 0.0073759000000000, -0.0100902100000000, 0.0111007000000000 ] - [ 0.0012986800000000, -0.0004127200000000, -0.0002817600000000 ] - [ -0.0012986800000000, -0.0004127200000000, -0.0002817600000000 ] - [ -0.0073759000000000, -0.0100902100000000, -0.0111007000000000 ] - [ 0.0073759000000000, -0.0100902100000000, -0.0111007000000000 ] - [ 0.0012986800000000, -0.0004127200000000, 0.0002817600000000 ] - [ -0.0012986800000000, -0.0004127200000000, 0.0002817600000000 ] - [ 0.0000000000000000, -0.0030542800000000, 0.0014129800000000 ] - [ 0.0002460700000000, -0.0016315800000000, 0.0010012700000000 ] - [ 0.0000000000000000, -0.0004650500000000, 0.0008673400000000 ] - [ -0.0002460700000000, -0.0016315800000000, 0.0010012700000000 ] - [ 0.0000000000000000, -0.0030542800000000, -0.0014129800000000 ] - [ 0.0002460700000000, -0.0016315800000000, -0.0010012700000000 ] - [ 0.0000000000000000, -0.0004650500000000, -0.0008673400000000 ] - [ -0.0002460700000000, -0.0016315800000000, -0.0010012700000000 ] - [ 0.0000000000000000, -0.0047222300000000, 0.0061772400000000 ] - [ -0.0013275900000000, -0.0017017400000000, 0.0011528100000000 ] - [ 0.0000000000000000, -0.0004609200000000, 0.0001990800000000 ] - [ 0.0013275900000000, -0.0017017400000000, 0.0011528100000000 ] - [ 0.0000000000000000, -0.0047222300000000, -0.0061772400000000 ] - [ -0.0013275900000000, -0.0017017400000000, -0.0011528100000000 ] - [ 0.0000000000000000, -0.0004609200000000, -0.0001990800000000 ] - [ 0.0013275900000000, -0.0017017400000000, -0.0011528100000000 ] - [ 0.0000000000000000, 0.0126153500000000, 0.0000000000000000 ] - [ 0.0012221100000000, 0.0032975900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018510200000000, 0.0000000000000000 ] - [ -0.0012221100000000, 0.0032975900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0030306900000000, -0.0001716300000000 ] - [ 0.0008475300000000, -0.0021357800000000, -0.0015879900000000 ] - [ 0.0000000000000000, -0.0017153300000000, -0.0026632200000000 ] - [ -0.0008475300000000, -0.0021357800000000, -0.0015879900000000 ] - [ 0.0000000000000000, -0.0030306900000000, 0.0001716300000000 ] - [ 0.0008475300000000, -0.0021357800000000, 0.0015879900000000 ] - [ 0.0000000000000000, -0.0017153300000000, 0.0026632200000000 ] - [ -0.0008475300000000, -0.0021357800000000, 0.0015879900000000 ] - [ 0.0003797400000000, -0.0032709200000000, 0.0000000000000000 ] - [ -0.0003797400000000, -0.0032709200000000, 0.0000000000000000 ] - [ -0.0000902300000000, -0.0020438700000000, 0.0000000000000000 ] - [ 0.0000902300000000, -0.0020438700000000, 0.0000000000000000 ] - [ -0.0013165600000000, -0.0031542000000000, 0.0036693800000000 ] - [ 0.0013165600000000, -0.0031542000000000, 0.0036693800000000 ] - [ 0.0006959900000000, 0.0005724100000000, 0.0024409700000000 ] - [ -0.0006959900000000, 0.0005724100000000, 0.0024409700000000 ] - [ -0.0013165600000000, -0.0031542000000000, -0.0036693800000000 ] - [ 0.0013165600000000, -0.0031542000000000, -0.0036693800000000 ] - [ 0.0006959900000000, 0.0005724100000000, -0.0024409700000000 ] - [ -0.0006959900000000, 0.0005724100000000, -0.0024409700000000 ] - [ -0.0010499100000000, 0.0026426400000000, -0.0012669800000000 ] - [ 0.0010499100000000, 0.0026426400000000, -0.0012669800000000 ] - [ 0.0005651200000000, 0.0008971500000000, -0.0003944800000000 ] - [ -0.0005651200000000, 0.0008971500000000, -0.0003944800000000 ] - [ -0.0010499100000000, 0.0026426400000000, 0.0012669800000000 ] - [ 0.0010499100000000, 0.0026426400000000, 0.0012669800000000 ] - [ 0.0005651200000000, 0.0008971500000000, 0.0003944800000000 ] - [ -0.0005651200000000, 0.0008971500000000, 0.0003944800000000 ] - [ -0.0068296100000000, -0.0143157100000000, 0.0000000000000000 ] - [ 0.0068296100000000, -0.0143157100000000, 0.0000000000000000 ] - [ -0.0008743000000000, 0.0006910700000000, 0.0000000000000000 ] - [ 0.0008743000000000, 0.0006910700000000, 0.0000000000000000 ] - [ 0.0005390500000000, 0.0007172100000000, -0.0043282600000000 ] - [ -0.0005390500000000, 0.0007172100000000, -0.0043282600000000 ] - [ -0.0002203900000000, -0.0009686300000000, -0.0029263800000000 ] - [ 0.0002203900000000, -0.0009686300000000, -0.0029263800000000 ] - [ 0.0005390500000000, 0.0007172100000000, 0.0043282600000000 ] - [ -0.0005390500000000, 0.0007172100000000, 0.0043282600000000 ] - [ -0.0002203900000000, -0.0009686300000000, 0.0029263800000000 ] - [ 0.0002203900000000, -0.0009686300000000, 0.0029263800000000 ] - [ 0.0000000000000000, -0.0000633700000000, 0.0000000000000000 ] - [ 0.0000491400000000, -0.0006368700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011270500000000, 0.0000000000000000 ] - [ -0.0000491400000000, -0.0006368700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0060197900000000, 0.0013194000000000 ] - [ -0.0016842300000000, 0.0034744400000000, 0.0025413700000000 ] - [ 0.0000000000000000, 0.0018651200000000, 0.0027846100000000 ] - [ 0.0016842300000000, 0.0034744400000000, 0.0025413700000000 ] - [ 0.0000000000000000, 0.0060197900000000, -0.0013194000000000 ] - [ -0.0016842300000000, 0.0034744400000000, -0.0025413700000000 ] - [ 0.0000000000000000, 0.0018651200000000, -0.0027846100000000 ] - [ 0.0016842300000000, 0.0034744400000000, -0.0025413700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0026444800000000, -0.0684679100000000 ] - [ -0.0000576100000000, -0.0023639200000000, -0.0076715700000000 ] - [ 0.0000000000000000, -0.0023536300000000, -0.0007834800000000 ] - [ 0.0000576100000000, -0.0023639200000000, -0.0076715700000000 ] - [ -0.0000028200000000, 0.0023567200000000, 0.0020810000000000 ] - [ 0.0000028200000000, 0.0023567200000000, 0.0020810000000000 ] - [ 0.0000024000000000, 0.0023528300000000, 0.0008852100000000 ] - [ -0.0000024000000000, 0.0023528300000000, 0.0008852100000000 ] - [ 0.0000000600000000, -0.0023432200000000, -0.0013243200000000 ] - [ -0.0000000600000000, -0.0023432200000000, -0.0013243200000000 ] - [ -0.0000017300000000, -0.0023503300000000, -0.0006824700000000 ] - [ 0.0000017300000000, -0.0023503300000000, -0.0006824700000000 ] - [ 0.0000000000000000, 0.0023440500000000, 0.0038936900000000 ] - [ 0.0000017700000000, 0.0023485500000000, 0.0012349000000000 ] - [ 0.0000000000000000, 0.0023519600000000, 0.0005647800000000 ] - [ -0.0000017700000000, 0.0023485500000000, 0.0012349000000000 ] - [ 0.0000000000000000, 0.0175267600000000, 0.0037569400000000 ] - [ 0.0041031400000000, 0.0025028000000000, -0.0011697400000000 ] - [ 0.0000000000000000, -0.0001019800000000, -0.0012928900000000 ] - [ -0.0041031400000000, 0.0025028000000000, -0.0011697400000000 ] - [ 0.0000000000000000, -0.0179736400000000, 0.0053856800000000 ] - [ -0.0040893700000000, -0.0030817600000000, 0.0004381000000000 ] - [ 0.0000000000000000, -0.0004840500000000, 0.0003133000000000 ] - [ 0.0040893700000000, -0.0030817600000000, 0.0004381000000000 ] - [ -0.0069413400000000, 0.0010592300000000, 0.0128222700000000 ] - [ 0.0069413400000000, 0.0010592300000000, 0.0128222700000000 ] - [ 0.0011093800000000, 0.0001628900000000, 0.0016465400000000 ] - [ -0.0011093800000000, 0.0001628900000000, 0.0016465400000000 ] - [ 0.0068397100000000, -0.0004581600000000, 0.0111007300000000 ] - [ -0.0068397100000000, -0.0004581600000000, 0.0111007300000000 ] - [ -0.0011047600000000, 0.0004214200000000, 0.0000500600000000 ] - [ 0.0011047600000000, 0.0004214200000000, 0.0000500600000000 ] - [ -0.0064817600000000, -0.0084882900000000, -0.0008293700000000 ] - [ 0.0064817600000000, -0.0084882900000000, -0.0008293700000000 ] - [ 0.0007104100000000, -0.0006056100000000, -0.0014790200000000 ] - [ -0.0007104100000000, -0.0006056100000000, -0.0014790200000000 ] - [ 0.0064403600000000, 0.0078575900000000, 0.0008475600000000 ] - [ -0.0064403600000000, 0.0078575900000000, 0.0008475600000000 ] - [ -0.0007105800000000, 0.0000221200000000, 0.0001352100000000 ] - [ 0.0007105800000000, 0.0000221200000000, 0.0001352100000000 ] - [ 0.0000000000000000, 0.0003710500000000, 0.0020840300000000 ] - [ 0.0006469800000000, 0.0004770900000000, 0.0016084900000000 ] - [ 0.0000000000000000, 0.0003930400000000, 0.0012713100000000 ] - [ -0.0006469800000000, 0.0004770900000000, 0.0016084900000000 ] - [ 0.0000000000000000, 0.0002227300000000, 0.0004896500000000 ] - [ -0.0006458400000000, 0.0001104100000000, 0.0000108300000000 ] - [ 0.0000000000000000, 0.0001905700000000, -0.0003270700000000 ] - [ 0.0006458400000000, 0.0001104100000000, 0.0000108300000000 ] - [ 0.0000000000000000, -0.0047292900000000, -0.0057734400000000 ] - [ 0.0022124000000000, -0.0008060100000000, -0.0003049800000000 ] - [ 0.0000000000000000, -0.0001248900000000, 0.0000390000000000 ] - [ -0.0022124000000000, -0.0008060100000000, -0.0003049800000000 ] - [ 0.0000000000000000, 0.0047186300000000, -0.0056031300000000 ] - [ -0.0022259700000000, 0.0008161000000000, -0.0002952900000000 ] - [ 0.0000000000000000, 0.0001279200000000, 0.0000435000000000 ] - [ 0.0022259700000000, 0.0008161000000000, -0.0002952900000000 ] - [ 0.0000000000000000, 0.0015157800000000, 0.0058345200000000 ] - [ -0.0000010100000000, 0.0015098600000000, 0.0025154500000000 ] - [ 0.0000000000000000, 0.0015127100000000, 0.0007498800000000 ] - [ 0.0000010100000000, 0.0015098600000000, 0.0025154500000000 ] - [ 0.0000000000000000, -0.0032791900000000, -0.0060395800000000 ] - [ -0.0017029900000000, -0.0023291800000000, -0.0040730200000000 ] - [ 0.0000000000000000, -0.0017030600000000, -0.0030690500000000 ] - [ 0.0017029900000000, -0.0023291800000000, -0.0040730200000000 ] - [ 0.0000000000000000, 0.0004891700000000, -0.0005653200000000 ] - [ 0.0016899800000000, -0.0004478200000000, 0.0013799000000000 ] - [ 0.0000000000000000, -0.0010659700000000, 0.0023860500000000 ] - [ -0.0016899800000000, -0.0004478200000000, 0.0013799000000000 ] - [ 0.0000030100000000, -0.0015067800000000, -0.0054021700000000 ] - [ -0.0000030100000000, -0.0015067800000000, -0.0054021700000000 ] - [ -0.0000010200000000, -0.0015115500000000, -0.0011037600000000 ] - [ 0.0000010200000000, -0.0015115500000000, -0.0011037600000000 ] - [ -0.0004216700000000, 0.0018058700000000, 0.0096005700000000 ] - [ 0.0004216700000000, 0.0018058700000000, 0.0096005700000000 ] - [ -0.0008515300000000, 0.0018701600000000, 0.0032588900000000 ] - [ 0.0008515300000000, 0.0018701600000000, 0.0032588900000000 ] - [ 0.0002099100000000, 0.0011192000000000, 0.0039369000000000 ] - [ -0.0002099100000000, 0.0011192000000000, 0.0039369000000000 ] - [ 0.0008528300000000, 0.0009010500000000, -0.0022083600000000 ] - [ -0.0008528300000000, 0.0009010500000000, -0.0022083600000000 ] - [ -0.0009467700000000, 0.0016379800000000, -0.0007250700000000 ] - [ 0.0009467700000000, 0.0016379800000000, -0.0007250700000000 ] - [ 0.0007557600000000, 0.0005037400000000, -0.0002446700000000 ] - [ -0.0007557600000000, 0.0005037400000000, -0.0002446700000000 ] - [ 0.0009553400000000, -0.0016470500000000, -0.0007242400000000 ] - [ -0.0009553400000000, -0.0016470500000000, -0.0007242400000000 ] - [ -0.0007544200000000, -0.0005022200000000, -0.0002403400000000 ] - [ 0.0007544200000000, -0.0005022200000000, -0.0002403400000000 ] - [ -0.0000109900000000, 0.0014857300000000, 0.0089628900000000 ] - [ 0.0000109900000000, 0.0014857300000000, 0.0089628900000000 ] - [ 0.0000051500000000, 0.0015086700000000, 0.0007653100000000 ] - [ -0.0000051500000000, 0.0015086700000000, 0.0007653100000000 ] - [ 0.0004338000000000, -0.0010134300000000, -0.0034569900000000 ] - [ -0.0004338000000000, -0.0010134300000000, -0.0034569900000000 ] - [ -0.0002044000000000, -0.0015349300000000, -0.0030393900000000 ] - [ 0.0002044000000000, -0.0015349300000000, -0.0030393900000000 ] - [ -0.0004319200000000, -0.0017564200000000, 0.0019920200000000 ] - [ 0.0004319200000000, -0.0017564200000000, 0.0019920200000000 ] - [ 0.0002031800000000, -0.0012332900000000, 0.0024145400000000 ] - [ -0.0002031800000000, -0.0012332900000000, 0.0024145400000000 ] - [ 0.0000000000000000, -0.0015157600000000, -0.0014654300000000 ] - [ -0.0000013500000000, -0.0015154500000000, -0.0009817600000000 ] - [ 0.0000000000000000, -0.0015135700000000, -0.0005983000000000 ] - [ 0.0000013500000000, -0.0015154500000000, -0.0009817600000000 ] - [ 0.0000000000000000, 0.0030018500000000, 0.0034693400000000 ] - [ -0.0009093700000000, 0.0021220400000000, 0.0031831800000000 ] - [ 0.0000000000000000, 0.0016462600000000, 0.0029562400000000 ] - [ 0.0009093700000000, 0.0021220400000000, 0.0031831800000000 ] - [ 0.0000000000000000, -0.0002393700000000, -0.0020063100000000 ] - [ 0.0009120500000000, 0.0006408900000000, -0.0022843700000000 ] - [ 0.0000000000000000, 0.0011213700000000, -0.0025053500000000 ] - [ -0.0009120500000000, 0.0006408900000000, -0.0022843700000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0116627900000000, -0.0022973800000000, 0.0000375700000000 ] - [ 0.0033221300000000, -0.0069558200000000, -0.0041059600000000 ] - [ 0.0031679300000000, -0.0023554800000000, -0.0000034000000000 ] - [ 0.0033171000000000, 0.0022297000000000, 0.0040880300000000 ] - [ -0.0016902100000000, 0.0030923700000000, -0.0068858600000000 ] - [ -0.0017183600000000, 0.0016162400000000, 0.0068990400000000 ] - [ 0.0023281900000000, 0.0024944700000000, 0.0011084400000000 ] - [ 0.0023299900000000, 0.0022135000000000, -0.0011007000000000 ] - [ -0.0011413600000000, -0.0096840600000000, 0.0064559100000000 ] - [ -0.0011997200000000, 0.0049795600000000, -0.0064663900000000 ] - [ 0.0025228800000000, -0.0010497700000000, -0.0007121100000000 ] - [ 0.0025263600000000, -0.0036403600000000, 0.0007095400000000 ] - [ -0.0020250500000000, 0.0023487200000000, -0.0000017900000000 ] - [ 0.0002328100000000, 0.0021075200000000, 0.0006443200000000 ] - [ 0.0015555800000000, 0.0023506500000000, 0.0000000400000000 ] - [ 0.0002368700000000, 0.0025911600000000, -0.0006455600000000 ] - [ -0.1405945200000000, 0.0006195400000000, -0.0008142100000000 ] - [ 0.0430216900000000, 0.0012629400000000, -0.0009506700000000 ] - [ 0.0076738800000000, -0.0002883100000000, -0.0008001900000000 ] - [ 0.0424031500000000, -0.0018348400000000, -0.0006508000000000 ] - [ -0.0048280900000000, -0.0002631200000000, 0.0008631700000000 ] - [ 0.0006569500000000, -0.0010215700000000, -0.0030109800000000 ] - [ 0.0031813400000000, -0.0002933400000000, 0.0007992600000000 ] - [ 0.0006803800000000, 0.0004242000000000, 0.0045841600000000 ] - [ -0.0024626300000000, 0.0149744300000000, -0.0160345400000000 ] - [ -0.0025109400000000, -0.0144867600000000, 0.0177087200000000 ] - [ 0.0049181900000000, -0.0017566800000000, 0.0021653500000000 ] - [ 0.0049125900000000, 0.0023213000000000, -0.0005529900000000 ] - [ -0.0018045500000000, 0.0005979700000000, -0.0010657800000000 ] - [ -0.0018070900000000, -0.0000062100000000, -0.0005281600000000 ] - [ 0.0018058900000000, -0.0000268100000000, -0.0007803200000000 ] - [ 0.0018166800000000, 0.0006109100000000, -0.0008187700000000 ] - [ -0.0029162100000000, -0.0001214200000000, -0.0006166900000000 ] - [ -0.0029294600000000, -0.0004680700000000, -0.0009910000000000 ] - [ 0.0029037000000000, -0.0004393500000000, -0.0009003700000000 ] - [ 0.0029101300000000, -0.0001507800000000, -0.0006987300000000 ] - [ -0.0015227000000000, -0.0001811200000000, 0.0013388700000000 ] - [ -0.0015286200000000, -0.0004060100000000, 0.0002659700000000 ] - [ 0.0015260600000000, -0.0005115100000000, 0.0001657600000000 ] - [ 0.0015294800000000, -0.0000698900000000, 0.0014377900000000 ] - [ -0.0214458600000000, 0.0002181100000000, 0.0007579000000000 ] - [ 0.0073736800000000, 0.0084117100000000, 0.0047339600000000 ] - [ 0.0051833000000000, 0.0003035500000000, 0.0008044700000000 ] - [ 0.0073824000000000, -0.0078044900000000, -0.0031169400000000 ] - [ -0.0022839500000000, 0.0002882800000000, -0.0007991400000000 ] - [ 0.0000629000000000, 0.0011801500000000, -0.0001015200000000 ] - [ 0.0021298600000000, 0.0002912500000000, -0.0008004300000000 ] - [ 0.0000806800000000, -0.0005998500000000, -0.0015020600000000 ] - [ 0.0015350800000000, 0.0000002200000000, -0.0000011200000000 ] - [ -0.0000422500000000, 0.0003769800000000, 0.0003823100000000 ] - [ -0.0014471800000000, 0.0000010500000000, -0.0000004700000000 ] - [ -0.0000472100000000, -0.0003779400000000, -0.0003849100000000 ] - [ 0.0056965600000000, 0.0000024700000000, 0.0000005600000000 ] - [ -0.0011252200000000, 0.0021473300000000, -0.0007480400000000 ] - [ -0.0031145900000000, 0.0000060400000000, 0.0000009800000000 ] - [ -0.0011394000000000, -0.0021429000000000, 0.0007501100000000 ] - [ 0.0122608400000000, 0.0014588700000000, 0.0001014900000000 ] - [ -0.0035977100000000, -0.0014384200000000, 0.0069002100000000 ] - [ -0.0023792900000000, 0.0015113800000000, 0.0000036700000000 ] - [ -0.0035747000000000, 0.0044342700000000, -0.0068341000000000 ] - [ 0.0181631000000000, -0.0013060100000000, -0.0028733700000000 ] - [ -0.0044676700000000, 0.0010837700000000, -0.0074912500000000 ] - [ -0.0034629500000000, -0.0013844100000000, -0.0027328200000000 ] - [ -0.0044486400000000, -0.0038314700000000, 0.0020007600000000 ] - [ 0.0028487100000000, -0.0013917100000000, 0.0027220300000000 ] - [ -0.0005031400000000, -0.0004749800000000, 0.0027439100000000 ] - [ -0.0018510700000000, -0.0013818800000000, 0.0027283500000000 ] - [ -0.0005108600000000, -0.0022921700000000, 0.0027137700000000 ] - [ 0.0010368100000000, -0.0033316500000000, 0.0037666200000000 ] - [ 0.0010389900000000, 0.0003114500000000, -0.0037842200000000 ] - [ -0.0010961300000000, -0.0007803000000000, -0.0008828900000000 ] - [ -0.0010971600000000, -0.0022374600000000, 0.0008735500000000 ] - [ 0.0241764200000000, 0.0084441400000000, 0.0063426200000000 ] - [ 0.0256186600000000, -0.0069915900000000, -0.0011951500000000 ] - [ -0.0070040300000000, 0.0034845100000000, 0.0029632900000000 ] - [ -0.0069779400000000, -0.0006886900000000, 0.0025014900000000 ] - [ 0.0020467300000000, 0.0012242300000000, -0.0046767500000000 ] - [ 0.0020730700000000, 0.0015282800000000, -0.0007857300000000 ] - [ -0.0020878700000000, 0.0012347800000000, -0.0019409100000000 ] - [ -0.0020919700000000, 0.0015373800000000, -0.0035142300000000 ] - [ 0.0014146900000000, 0.0002811200000000, -0.0002991600000000 ] - [ 0.0014316200000000, -0.0002761000000000, 0.0002899400000000 ] - [ -0.0014457300000000, -0.0002838200000000, 0.0003078500000000 ] - [ -0.0014495900000000, 0.0002815000000000, -0.0003049500000000 ] - [ 0.0057725700000000, 0.0102159400000000, 0.0057807500000000 ] - [ 0.0065006900000000, -0.0097675800000000, -0.0055234000000000 ] - [ -0.0068986200000000, -0.0018658800000000, -0.0010697600000000 ] - [ -0.0068852100000000, 0.0018403600000000, 0.0010561300000000 ] - [ 0.0017689900000000, 0.0012033700000000, -0.0009740400000000 ] - [ 0.0017752600000000, 0.0018250900000000, 0.0009708000000000 ] - [ -0.0017958500000000, 0.0023880000000000, 0.0003029400000000 ] - [ -0.0017996100000000, 0.0006395500000000, -0.0003014300000000 ] - [ 0.0032390700000000, 0.0003633100000000, -0.0018477800000000 ] - [ 0.0032427500000000, -0.0031247900000000, -0.0036062300000000 ] - [ -0.0033681800000000, -0.0025989200000000, -0.0031349400000000 ] - [ -0.0033821900000000, -0.0001668700000000, -0.0023233200000000 ] - [ 0.0011119800000000, -0.0014567700000000, 0.0027501000000000 ] - [ 0.0011163800000000, -0.0013090400000000, 0.0027059200000000 ] - [ -0.0011164100000000, -0.0013685300000000, 0.0026811500000000 ] - [ -0.0011210300000000, -0.0013988500000000, 0.0027759000000000 ] - [ 0.0034580200000000, -0.0015112100000000, 0.0000035800000000 ] - [ -0.0008778200000000, -0.0018579600000000, -0.0028397600000000 ] - [ -0.0017467400000000, -0.0015149600000000, -0.0000010100000000 ] - [ -0.0008852100000000, -0.0011706500000000, 0.0028399600000000 ] - [ 0.0041759300000000, 0.0013922700000000, 0.0027319400000000 ] - [ -0.0008335300000000, -0.0010431000000000, 0.0033804500000000 ] - [ -0.0026091000000000, 0.0013813700000000, 0.0027279800000000 ] - [ -0.0008452900000000, 0.0038123200000000, 0.0020798500000000 ] - [ 0.0023234200000000, 0.0013877500000000, -0.0027305300000000 ] - [ -0.0002988400000000, 0.0005608500000000, -0.0022848400000000 ] - [ -0.0017126500000000, 0.0013824500000000, -0.0027280500000000 ] - [ -0.0003083900000000, 0.0022089600000000, -0.0031779500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0144736400000000, 0.0176654100000000 ] - [ -0.0034638300000000, -0.0000140000000000, 0.0027949900000000 ] - [ 0.0000000000000000, -0.0023537900000000, 0.0001925100000000 ] - [ 0.0034638300000000, -0.0000140000000000, 0.0027949900000000 ] - [ 0.0009234400000000, -0.0039928100000000, 0.0007452700000000 ] - [ -0.0009234400000000, -0.0039928100000000, 0.0007452700000000 ] - [ 0.0000871800000000, 0.0011055200000000, -0.0001292100000000 ] - [ -0.0000871800000000, 0.0011055200000000, -0.0001292100000000 ] - [ -0.0080204100000000, 0.0074305300000000, -0.0082182600000000 ] - [ 0.0080204100000000, 0.0074305300000000, -0.0082182600000000 ] - [ 0.0011916600000000, -0.0022298600000000, -0.0003131300000000 ] - [ -0.0011916600000000, -0.0022298600000000, -0.0003131300000000 ] - [ 0.0000000000000000, 0.0056945900000000, 0.0000794100000000 ] - [ -0.0001863400000000, 0.0042740800000000, 0.0001841100000000 ] - [ 0.0000000000000000, 0.0031077000000000, 0.0000989500000000 ] - [ 0.0001863400000000, 0.0042740800000000, 0.0001841100000000 ] - [ 0.0000000000000000, -0.1500167600000000, 0.0180939900000000 ] - [ -0.0016233800000000, -0.0182127500000000, -0.0030626100000000 ] - [ 0.0000000000000000, -0.0018981800000000, -0.0006989900000000 ] - [ 0.0016233800000000, -0.0182127500000000, -0.0030626100000000 ] - [ 0.0000000000000000, -0.0086770300000000, -0.0072976100000000 ] - [ 0.0007153500000000, -0.0026329800000000, 0.0003915200000000 ] - [ 0.0000000000000000, -0.0011486200000000, 0.0006897900000000 ] - [ -0.0007153500000000, -0.0026329800000000, 0.0003915200000000 ] - [ 0.0146320900000000, 0.0171886000000000, -0.0144400500000000 ] - [ -0.0146320900000000, 0.0171886000000000, -0.0144400500000000 ] - [ -0.0020384600000000, 0.0008984200000000, 0.0002647000000000 ] - [ 0.0020384600000000, 0.0008984200000000, 0.0002647000000000 ] - [ 0.0002991000000000, -0.0006165300000000, -0.0018432500000000 ] - [ -0.0002991000000000, -0.0006165300000000, -0.0018432500000000 ] - [ -0.0003229700000000, 0.0002531400000000, -0.0008329300000000 ] - [ 0.0003229700000000, 0.0002531400000000, -0.0008329300000000 ] - [ -0.0001924900000000, 0.0072772400000000, -0.0015879900000000 ] - [ 0.0001924900000000, 0.0072772400000000, -0.0015879900000000 ] - [ 0.0001486900000000, 0.0020801100000000, -0.0012440800000000 ] - [ -0.0001486900000000, 0.0020801100000000, -0.0012440800000000 ] - [ -0.0001135800000000, 0.0026645600000000, 0.0014152500000000 ] - [ 0.0001135800000000, 0.0026645600000000, 0.0014152500000000 ] - [ 0.0002235400000000, 0.0009407400000000, 0.0012758800000000 ] - [ -0.0002235400000000, 0.0009407400000000, 0.0012758800000000 ] - [ 0.0000000000000000, 0.0293020700000000, 0.0195178100000000 ] - [ 0.0081246800000000, 0.0054146600000000, 0.0038784900000000 ] - [ 0.0000000000000000, 0.0001067400000000, 0.0008894000000000 ] - [ -0.0081246800000000, 0.0054146600000000, 0.0038784900000000 ] - [ 0.0000000000000000, 0.0018087300000000, -0.0005817300000000 ] - [ 0.0008869600000000, 0.0008431200000000, -0.0007097100000000 ] - [ 0.0000000000000000, 0.0002535900000000, -0.0007471100000000 ] - [ -0.0008869600000000, 0.0008431200000000, -0.0007097100000000 ] - [ 0.0000000000000000, -0.0010980200000000, -0.0007108400000000 ] - [ 0.0001728900000000, -0.0006586900000000, -0.0001935200000000 ] - [ 0.0000000000000000, -0.0003766700000000, 0.0000052700000000 ] - [ -0.0001728900000000, -0.0006586900000000, -0.0001935200000000 ] - [ 0.0000000000000000, -0.0073658700000000, 0.0003916300000000 ] - [ 0.0022403600000000, -0.0033856800000000, -0.0002129000000000 ] - [ 0.0000000000000000, -0.0009005300000000, -0.0002074900000000 ] - [ -0.0022403600000000, -0.0033856800000000, -0.0002129000000000 ] - [ 0.0000000000000000, 0.0153546300000000, -0.0027775100000000 ] - [ -0.0019991400000000, 0.0049959000000000, -0.0001583500000000 ] - [ 0.0000000000000000, 0.0022398800000000, -0.0000640600000000 ] - [ 0.0019991400000000, 0.0049959000000000, -0.0001583500000000 ] - [ 0.0000000000000000, 0.0159885000000000, -0.0091635800000000 ] - [ 0.0039001800000000, 0.0016658200000000, -0.0003176300000000 ] - [ 0.0000000000000000, -0.0007576100000000, -0.0025381900000000 ] - [ -0.0039001800000000, 0.0016658200000000, -0.0003176300000000 ] - [ 0.0000000000000000, 0.0010630000000000, 0.0048775700000000 ] - [ 0.0001964300000000, -0.0007114600000000, 0.0029477700000000 ] - [ 0.0000000000000000, -0.0011506500000000, 0.0026956100000000 ] - [ -0.0001964300000000, -0.0007114600000000, 0.0029477700000000 ] - [ -0.0007941800000000, -0.0040839000000000, 0.0045388000000000 ] - [ 0.0007941800000000, -0.0040839000000000, 0.0045388000000000 ] - [ 0.0002718600000000, -0.0020723800000000, 0.0004948300000000 ] - [ -0.0002718600000000, -0.0020723800000000, 0.0004948300000000 ] - [ 0.0086027500000000, 0.0267998900000000, 0.0046536700000000 ] - [ -0.0086027500000000, 0.0267998900000000, 0.0046536700000000 ] - [ 0.0006197800000000, 0.0026888500000000, 0.0026900300000000 ] - [ -0.0006197800000000, 0.0026888500000000, 0.0026900300000000 ] - [ 0.0005512400000000, 0.0049833400000000, -0.0043795700000000 ] - [ -0.0005512400000000, 0.0049833400000000, -0.0043795700000000 ] - [ 0.0002149300000000, 0.0023207200000000, -0.0031567600000000 ] - [ -0.0002149300000000, 0.0023207200000000, -0.0031567600000000 ] - [ 0.0013009300000000, 0.0004068800000000, 0.0013862200000000 ] - [ -0.0013009300000000, 0.0004068800000000, 0.0013862200000000 ] - [ -0.0003110100000000, 0.0004459700000000, -0.0000407800000000 ] - [ 0.0003110100000000, 0.0004459700000000, -0.0000407800000000 ] - [ 0.0089238600000000, 0.0085216200000000, -0.0035604200000000 ] - [ -0.0089238600000000, 0.0085216200000000, -0.0035604200000000 ] - [ -0.0008073400000000, 0.0021176800000000, 0.0008860400000000 ] - [ 0.0008073400000000, 0.0021176800000000, 0.0008860400000000 ] - [ -0.0012574700000000, -0.0027911600000000, 0.0000073100000000 ] - [ 0.0012574700000000, -0.0027911600000000, 0.0000073100000000 ] - [ 0.0006871200000000, -0.0001236200000000, 0.0001159200000000 ] - [ -0.0006871200000000, -0.0001236200000000, 0.0001159200000000 ] - [ 0.0021628800000000, -0.0068292000000000, -0.0038786700000000 ] - [ -0.0021628800000000, -0.0068292000000000, -0.0038786700000000 ] - [ -0.0017248800000000, -0.0030523600000000, -0.0029590800000000 ] - [ 0.0017248800000000, -0.0030523600000000, -0.0029590800000000 ] - [ 0.0003020200000000, -0.0026159100000000, 0.0027221800000000 ] - [ -0.0003020200000000, -0.0026159100000000, 0.0027221800000000 ] - [ -0.0003283700000000, -0.0018635600000000, 0.0027697300000000 ] - [ 0.0003283700000000, -0.0018635600000000, 0.0027697300000000 ] - [ 0.0000000000000000, -0.0003613600000000, -0.0047620300000000 ] - [ -0.0007062700000000, -0.0005205200000000, -0.0022257600000000 ] - [ 0.0000000000000000, -0.0010519000000000, -0.0001923800000000 ] - [ 0.0007062700000000, -0.0005205200000000, -0.0022257600000000 ] - [ 0.0000000000000000, -0.0064744200000000, 0.0028736500000000 ] - [ -0.0015617000000000, -0.0018213600000000, 0.0028319900000000 ] - [ 0.0000000000000000, 0.0007487500000000, 0.0029242800000000 ] - [ 0.0015617000000000, -0.0018213600000000, 0.0028319900000000 ] - [ 0.0000000000000000, -0.0013192100000000, -0.0016256200000000 ] - [ -0.0009222400000000, -0.0001683100000000, -0.0019808200000000 ] - [ 0.0000000000000000, 0.0009681000000000, -0.0027266400000000 ] - [ 0.0009222400000000, -0.0001683100000000, -0.0019808200000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0192595200000000, -0.0178375700000000 ] - [ 0.0034695700000000, -0.0046716100000000, -0.0027872700000000 ] - [ 0.0000000000000000, -0.0023458700000000, -0.0001889200000000 ] - [ -0.0034695700000000, -0.0046716100000000, -0.0027872700000000 ] - [ -0.0009104400000000, 0.0086855100000000, -0.0007721000000000 ] - [ 0.0009104400000000, 0.0086855100000000, -0.0007721000000000 ] - [ -0.0000866100000000, 0.0035975000000000, 0.0001275100000000 ] - [ 0.0000866100000000, 0.0035975000000000, 0.0001275100000000 ] - [ 0.0079565600000000, -0.0121124700000000, 0.0081275600000000 ] - [ -0.0079565600000000, -0.0121124700000000, 0.0081275600000000 ] - [ -0.0011928200000000, -0.0024810100000000, 0.0003135400000000 ] - [ 0.0011928200000000, -0.0024810100000000, 0.0003135400000000 ] - [ 0.0000000000000000, -0.0009890500000000, -0.0000699700000000 ] - [ 0.0001932100000000, 0.0004316400000000, -0.0001812200000000 ] - [ 0.0000000000000000, 0.0015971500000000, -0.0000996300000000 ] - [ -0.0001932100000000, 0.0004316400000000, -0.0001812200000000 ] - [ 0.0000000000000000, 0.1505325400000000, -0.0200850800000000 ] - [ 0.0014773600000000, 0.0176205900000000, 0.0014550800000000 ] - [ 0.0000000000000000, 0.0013133200000000, -0.0009019100000000 ] - [ -0.0014773600000000, 0.0176205900000000, 0.0014550800000000 ] - [ 0.0000000000000000, 0.0081309400000000, 0.0089824000000000 ] - [ -0.0007257100000000, 0.0020486100000000, 0.0012182300000000 ] - [ 0.0000000000000000, 0.0005626300000000, 0.0009166500000000 ] - [ 0.0007257100000000, 0.0020486100000000, 0.0012182300000000 ] - [ -0.0148334900000000, -0.0167262400000000, 0.0161820800000000 ] - [ 0.0148334900000000, -0.0167262400000000, 0.0161820800000000 ] - [ 0.0020414700000000, -0.0003062800000000, 0.0013306800000000 ] - [ -0.0020414700000000, -0.0003062800000000, 0.0013306800000000 ] - [ -0.0003060500000000, 0.0012151000000000, 0.0002509500000000 ] - [ 0.0003060500000000, 0.0012151000000000, 0.0002509500000000 ] - [ 0.0003187800000000, 0.0003358100000000, -0.0007643200000000 ] - [ -0.0003187800000000, 0.0003358100000000, -0.0007643200000000 ] - [ 0.0001529700000000, -0.0078522700000000, -0.0000196800000000 ] - [ -0.0001529700000000, -0.0078522700000000, -0.0000196800000000 ] - [ -0.0001394600000000, -0.0026630500000000, -0.0003565800000000 ] - [ 0.0001394600000000, -0.0026630500000000, -0.0003565800000000 ] - [ 0.0001097600000000, -0.0032507600000000, 0.0001769800000000 ] - [ -0.0001097600000000, -0.0032507600000000, 0.0001769800000000 ] - [ -0.0002168400000000, -0.0015185200000000, 0.0003283200000000 ] - [ 0.0002168400000000, -0.0015185200000000, 0.0003283200000000 ] - [ 0.0000000000000000, -0.0284162100000000, -0.0176337600000000 ] - [ -0.0080876600000000, -0.0048433500000000, -0.0022676900000000 ] - [ 0.0000000000000000, 0.0004754500000000, 0.0007105000000000 ] - [ 0.0080876600000000, -0.0048433500000000, -0.0022676900000000 ] - [ 0.0000000000000000, -0.0012341400000000, -0.0010051000000000 ] - [ -0.0008918300000000, -0.0002708700000000, -0.0008920200000000 ] - [ 0.0000000000000000, 0.0003218400000000, -0.0008524200000000 ] - [ 0.0008918300000000, -0.0002708700000000, -0.0008920200000000 ] - [ 0.0000000000000000, 0.0010967000000000, 0.0007195600000000 ] - [ -0.0001761200000000, 0.0006528300000000, 0.0001908600000000 ] - [ 0.0000000000000000, 0.0003746600000000, -0.0000066100000000 ] - [ 0.0001761200000000, 0.0006528300000000, 0.0001908600000000 ] - [ 0.0000000000000000, 0.0073929900000000, -0.0004066200000000 ] - [ -0.0022545300000000, 0.0033798900000000, 0.0002136100000000 ] - [ 0.0000000000000000, 0.0008992600000000, 0.0002079700000000 ] - [ 0.0022545300000000, 0.0033798900000000, 0.0002136100000000 ] - [ 0.0000000000000000, -0.0122355000000000, 0.0024964000000000 ] - [ 0.0020068600000000, -0.0019588500000000, 0.0001522900000000 ] - [ 0.0000000000000000, 0.0007901500000000, 0.0000620800000000 ] - [ -0.0020068600000000, -0.0019588500000000, 0.0001522900000000 ] - [ 0.0000000000000000, -0.0189856700000000, 0.0042113300000000 ] - [ -0.0039069300000000, -0.0044429100000000, -0.0051326600000000 ] - [ 0.0000000000000000, -0.0020146100000000, -0.0029175200000000 ] - [ 0.0039069300000000, -0.0044429100000000, -0.0051326600000000 ] - [ 0.0000000000000000, -0.0038464400000000, 0.0005665600000000 ] - [ -0.0001975400000000, -0.0020605600000000, 0.0025064100000000 ] - [ 0.0000000000000000, -0.0016171400000000, 0.0027601300000000 ] - [ 0.0001975400000000, -0.0020605600000000, 0.0025064100000000 ] - [ 0.0008029000000000, 0.0010559400000000, -0.0045530000000000 ] - [ -0.0008029000000000, 0.0010559400000000, -0.0045530000000000 ] - [ -0.0002737900000000, -0.0009565900000000, -0.0004962700000000 ] - [ 0.0002737900000000, -0.0009565900000000, -0.0004962700000000 ] - [ -0.0097263500000000, -0.0249213700000000, 0.0006261100000000 ] - [ 0.0097263500000000, -0.0249213700000000, 0.0006261100000000 ] - [ -0.0006097900000000, 0.0000733300000000, 0.0027697500000000 ] - [ 0.0006097900000000, 0.0000733300000000, 0.0027697500000000 ] - [ -0.0005546100000000, -0.0022395200000000, -0.0010819000000000 ] - [ 0.0005546100000000, -0.0022395200000000, -0.0010819000000000 ] - [ -0.0002124800000000, 0.0004469200000000, -0.0023039100000000 ] - [ 0.0002124800000000, 0.0004469200000000, -0.0023039100000000 ] - [ -0.0013081300000000, -0.0003962100000000, -0.0013964800000000 ] - [ 0.0013081300000000, -0.0003962100000000, -0.0013964800000000 ] - [ 0.0003121200000000, -0.0004429500000000, 0.0000386300000000 ] - [ -0.0003121200000000, -0.0004429500000000, 0.0000386300000000 ] - [ -0.0093595100000000, -0.0081069100000000, 0.0037259500000000 ] - [ 0.0093595100000000, -0.0081069100000000, 0.0037259500000000 ] - [ 0.0008171700000000, -0.0021131900000000, -0.0008830600000000 ] - [ -0.0008171700000000, -0.0021131900000000, -0.0008830600000000 ] - [ 0.0012770000000000, 0.0058209100000000, 0.0000014500000000 ] - [ -0.0012770000000000, 0.0058209100000000, 0.0000014500000000 ] - [ -0.0006872300000000, 0.0031436000000000, -0.0001142800000000 ] - [ 0.0006872300000000, 0.0031436000000000, -0.0001142800000000 ] - [ -0.0021256700000000, 0.0040459300000000, -0.0015907300000000 ] - [ 0.0021256700000000, 0.0040459300000000, -0.0015907300000000 ] - [ 0.0017254800000000, 0.0002896200000000, -0.0024983100000000 ] - [ -0.0017254800000000, 0.0002896200000000, -0.0024983100000000 ] - [ -0.0002986900000000, -0.0001467900000000, 0.0027332700000000 ] - [ 0.0002986900000000, -0.0001467900000000, 0.0027332700000000 ] - [ 0.0003265300000000, -0.0009024000000000, 0.0026867600000000 ] - [ -0.0003265300000000, -0.0009024000000000, 0.0026867600000000 ] - [ 0.0000000000000000, -0.0026479700000000, 0.0047269100000000 ] - [ 0.0007049900000000, -0.0025009200000000, 0.0022263100000000 ] - [ 0.0000000000000000, -0.0019731200000000, 0.0001940300000000 ] - [ -0.0007049900000000, -0.0025009200000000, 0.0022263100000000 ] - [ 0.0000000000000000, 0.0091785700000000, 0.0025905600000000 ] - [ 0.0015455400000000, 0.0045963900000000, 0.0026293000000000 ] - [ 0.0000000000000000, 0.0020219200000000, 0.0025347900000000 ] - [ -0.0015455400000000, 0.0045963900000000, 0.0026293000000000 ] - [ 0.0000000000000000, 0.0040923300000000, -0.0038300800000000 ] - [ 0.0009160100000000, 0.0029370400000000, -0.0034757600000000 ] - [ 0.0000000000000000, 0.0018016600000000, -0.0027335000000000 ] - [ -0.0009160100000000, 0.0029370400000000, -0.0034757600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0146970400000000, 0.0046063300000000 ] - [ -0.0021556900000000, -0.0008885000000000, -0.0003518400000000 ] - [ 0.0000000000000000, -0.0022681000000000, -0.0004875900000000 ] - [ 0.0021556900000000, -0.0008885000000000, -0.0003518400000000 ] - [ -0.0072683700000000, 0.0051541200000000, 0.0120190500000000 ] - [ 0.0072683700000000, 0.0051541200000000, 0.0120190500000000 ] - [ 0.0010594200000000, 0.0023941500000000, 0.0008450600000000 ] - [ -0.0010594200000000, 0.0023941500000000, 0.0008450600000000 ] - [ 0.0081724100000000, -0.0141655600000000, 0.0000195300000000 ] - [ -0.0081724100000000, -0.0141655600000000, 0.0000195300000000 ] - [ -0.0012183200000000, -0.0028714800000000, -0.0006699300000000 ] - [ 0.0012183200000000, -0.0028714800000000, -0.0006699300000000 ] - [ 0.0000000000000000, 0.0017492500000000, 0.0012824500000000 ] - [ 0.0005193700000000, 0.0021529800000000, 0.0008077500000000 ] - [ 0.0000000000000000, 0.0022843800000000, 0.0004695400000000 ] - [ -0.0005193700000000, 0.0021529800000000, 0.0008077500000000 ] - [ 0.0000000000000000, 0.0185270300000000, -0.1482063300000000 ] - [ 0.0000661300000000, -0.0025567500000000, -0.0107765900000000 ] - [ 0.0000000000000000, -0.0001908500000000, -0.0023148500000000 ] - [ -0.0000661300000000, -0.0025567500000000, -0.0107765900000000 ] - [ 0.0000000000000000, 0.0078451500000000, 0.0259939100000000 ] - [ -0.0037837500000000, 0.0001211700000000, 0.0042336000000000 ] - [ 0.0000000000000000, -0.0001804700000000, 0.0014122700000000 ] - [ 0.0037837500000000, 0.0001211700000000, 0.0042336000000000 ] - [ -0.0169059900000000, -0.0150541800000000, -0.0037727500000000 ] - [ 0.0169059900000000, -0.0150541800000000, -0.0037727500000000 ] - [ 0.0013600200000000, -0.0002393200000000, 0.0002955000000000 ] - [ -0.0013600200000000, -0.0002393200000000, 0.0002955000000000 ] - [ 0.0002620800000000, 0.0013313100000000, 0.0044625800000000 ] - [ -0.0002620800000000, 0.0013313100000000, 0.0044625800000000 ] - [ -0.0000170800000000, 0.0003256100000000, 0.0005238600000000 ] - [ 0.0000170800000000, 0.0003256100000000, 0.0005238600000000 ] - [ -0.0001879500000000, -0.0010749500000000, -0.0044879700000000 ] - [ 0.0001879500000000, -0.0010749500000000, -0.0044879700000000 ] - [ 0.0001022800000000, -0.0007362500000000, -0.0021460700000000 ] - [ -0.0001022800000000, -0.0007362500000000, -0.0021460700000000 ] - [ 0.0005358000000000, -0.0009085800000000, 0.0025135700000000 ] - [ -0.0005358000000000, -0.0009085800000000, 0.0025135700000000 ] - [ -0.0006316100000000, -0.0007625100000000, 0.0012622400000000 ] - [ 0.0006316100000000, -0.0007625100000000, 0.0012622400000000 ] - [ 0.0000000000000000, 0.0188920200000000, 0.0019323300000000 ] - [ 0.0039186900000000, 0.0033573100000000, 0.0007770200000000 ] - [ 0.0000000000000000, 0.0003806600000000, 0.0004689800000000 ] - [ -0.0039186900000000, 0.0033573100000000, 0.0007770200000000 ] - [ 0.0000000000000000, 0.0000880000000000, 0.0050069000000000 ] - [ -0.0006975900000000, 0.0002010500000000, 0.0022738800000000 ] - [ 0.0000000000000000, 0.0002371100000000, 0.0003333200000000 ] - [ 0.0006975900000000, 0.0002010500000000, 0.0022738800000000 ] - [ 0.0000000000000000, -0.0001144000000000, -0.0016233900000000 ] - [ 0.0003743900000000, 0.0001361600000000, -0.0008967300000000 ] - [ 0.0000000000000000, 0.0002841200000000, -0.0004584400000000 ] - [ -0.0003743900000000, 0.0001361600000000, -0.0008967300000000 ] - [ 0.0000000000000000, 0.0034152200000000, 0.0033310600000000 ] - [ -0.0019520300000000, 0.0017881900000000, 0.0019448600000000 ] - [ 0.0000000000000000, 0.0004902100000000, 0.0005726500000000 ] - [ 0.0019520300000000, 0.0017881900000000, 0.0019448600000000 ] - [ 0.0000000000000000, -0.0108057300000000, 0.0432839500000000 ] - [ 0.0044209700000000, 0.0014246400000000, 0.0011050500000000 ] - [ 0.0000000000000000, 0.0011272300000000, 0.0006018900000000 ] - [ -0.0044209700000000, 0.0014246400000000, 0.0011050500000000 ] - [ 0.0000000000000000, -0.0022850500000000, 0.0171017400000000 ] - [ -0.0033776100000000, -0.0012403900000000, -0.0010356300000000 ] - [ 0.0000000000000000, -0.0016115000000000, -0.0024314700000000 ] - [ 0.0033776100000000, -0.0012403900000000, -0.0010356300000000 ] - [ 0.0000000000000000, -0.0031339900000000, -0.0045096800000000 ] - [ -0.0002292900000000, -0.0008785700000000, 0.0001933500000000 ] - [ 0.0000000000000000, -0.0012629000000000, 0.0019540000000000 ] - [ 0.0002292900000000, -0.0008785700000000, 0.0001933500000000 ] - [ 0.0012323700000000, 0.0002916600000000, -0.0034374400000000 ] - [ -0.0012323700000000, 0.0002916600000000, -0.0034374400000000 ] - [ -0.0003072300000000, -0.0014947200000000, -0.0007343100000000 ] - [ 0.0003072300000000, -0.0014947200000000, -0.0007343100000000 ] - [ 0.0040409900000000, 0.0035924400000000, 0.0200987500000000 ] - [ -0.0040409900000000, 0.0035924400000000, 0.0200987500000000 ] - [ -0.0002614400000000, 0.0016788100000000, 0.0039281400000000 ] - [ 0.0002614400000000, 0.0016788100000000, 0.0039281400000000 ] - [ -0.0038529100000000, -0.0019828100000000, -0.0066508000000000 ] - [ 0.0038529100000000, -0.0019828100000000, -0.0066508000000000 ] - [ 0.0007604400000000, 0.0008456700000000, -0.0032592900000000 ] - [ -0.0007604400000000, 0.0008456700000000, -0.0032592900000000 ] - [ -0.0022027900000000, 0.0015443300000000, -0.0044022600000000 ] - [ 0.0022027900000000, 0.0015443300000000, -0.0044022600000000 ] - [ 0.0005896000000000, 0.0003669800000000, -0.0008892000000000 ] - [ -0.0005896000000000, 0.0003669800000000, -0.0008892000000000 ] - [ 0.0025035800000000, -0.0016666500000000, 0.0134494500000000 ] - [ -0.0025035800000000, -0.0016666500000000, 0.0134494500000000 ] - [ -0.0008294200000000, 0.0003795300000000, 0.0009455800000000 ] - [ 0.0008294200000000, 0.0003795300000000, 0.0009455800000000 ] - [ -0.0013490300000000, 0.0002473000000000, 0.0010552100000000 ] - [ 0.0013490300000000, 0.0002473000000000, 0.0010552100000000 ] - [ 0.0003591400000000, 0.0012542300000000, 0.0005798100000000 ] - [ -0.0003591400000000, 0.0012542300000000, 0.0005798100000000 ] - [ 0.0011427500000000, -0.0035390300000000, -0.0023484800000000 ] - [ -0.0011427500000000, -0.0035390300000000, -0.0023484800000000 ] - [ -0.0007348500000000, -0.0019346200000000, -0.0023004600000000 ] - [ 0.0007348500000000, -0.0019346200000000, -0.0023004600000000 ] - [ 0.0000425300000000, -0.0012306100000000, 0.0011673700000000 ] - [ -0.0000425300000000, -0.0012306100000000, 0.0011673700000000 ] - [ 0.0001393000000000, -0.0011511800000000, 0.0018492800000000 ] - [ -0.0001393000000000, -0.0011511800000000, 0.0018492800000000 ] - [ 0.0000000000000000, -0.0049716300000000, -0.0047834500000000 ] - [ -0.0015695900000000, -0.0031724300000000, -0.0016764800000000 ] - [ 0.0000000000000000, -0.0018471800000000, -0.0005394900000000 ] - [ 0.0015695900000000, -0.0031724300000000, -0.0016764800000000 ] - [ 0.0000000000000000, 0.0024888200000000, 0.0065740900000000 ] - [ 0.0005686000000000, 0.0018330600000000, 0.0054152700000000 ] - [ 0.0000000000000000, 0.0018061100000000, 0.0035995100000000 ] - [ -0.0005686000000000, 0.0018330600000000, 0.0054152700000000 ] - [ 0.0000000000000000, 0.0027167000000000, -0.0049390900000000 ] - [ 0.0012778900000000, 0.0022172400000000, -0.0044630200000000 ] - [ 0.0000000000000000, 0.0014650200000000, -0.0031641000000000 ] - [ -0.0012778900000000, 0.0022172400000000, -0.0044630200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0194742200000000, -0.0045337100000000 ] - [ 0.0021500600000000, -0.0038004900000000, 0.0003789500000000 ] - [ 0.0000000000000000, -0.0024331000000000, 0.0004959400000000 ] - [ -0.0021500600000000, -0.0038004900000000, 0.0003789500000000 ] - [ 0.0071782000000000, -0.0004355400000000, -0.0119058900000000 ] - [ -0.0071782000000000, -0.0004355400000000, -0.0119058900000000 ] - [ -0.0010531100000000, 0.0023096600000000, -0.0008517100000000 ] - [ 0.0010531100000000, 0.0023096600000000, -0.0008517100000000 ] - [ -0.0082040400000000, 0.0095109300000000, 0.0000018100000000 ] - [ 0.0082040400000000, 0.0095109300000000, 0.0000018100000000 ] - [ 0.0012207200000000, -0.0018314300000000, 0.0006773100000000 ] - [ -0.0012207200000000, -0.0018314300000000, 0.0006773100000000 ] - [ 0.0000000000000000, 0.0029583500000000, -0.0012927000000000 ] - [ -0.0005185300000000, 0.0025508100000000, -0.0008136800000000 ] - [ 0.0000000000000000, 0.0024198200000000, -0.0004741400000000 ] - [ 0.0005185300000000, 0.0025508100000000, -0.0008136800000000 ] - [ 0.0000000000000000, -0.0197022100000000, 0.1484396500000000 ] - [ -0.0002367500000000, 0.0019600500000000, 0.0091855900000000 ] - [ 0.0000000000000000, -0.0003942700000000, 0.0007196500000000 ] - [ 0.0002367500000000, 0.0019600500000000, 0.0091855900000000 ] - [ 0.0000000000000000, -0.0084373600000000, -0.0245593900000000 ] - [ 0.0038077200000000, -0.0007065200000000, -0.0026357100000000 ] - [ 0.0000000000000000, -0.0004076300000000, 0.0001958900000000 ] - [ -0.0038077200000000, -0.0007065200000000, -0.0026357100000000 ] - [ 0.0168389800000000, 0.0155671800000000, 0.0052831200000000 ] - [ -0.0168389800000000, 0.0155671800000000, 0.0052831200000000 ] - [ -0.0013589900000000, 0.0008274800000000, 0.0012951300000000 ] - [ 0.0013589900000000, 0.0008274800000000, 0.0012951300000000 ] - [ -0.0002746900000000, -0.0007618900000000, -0.0060758000000000 ] - [ 0.0002746900000000, -0.0007618900000000, -0.0060758000000000 ] - [ 0.0000184500000000, 0.0002577700000000, -0.0021251500000000 ] - [ -0.0000184500000000, 0.0002577700000000, -0.0021251500000000 ] - [ 0.0001914800000000, 0.0004931900000000, 0.0028942300000000 ] - [ -0.0001914800000000, 0.0004931900000000, 0.0028942300000000 ] - [ -0.0001016700000000, 0.0001501500000000, 0.0005490000000000 ] - [ 0.0001016700000000, 0.0001501500000000, 0.0005490000000000 ] - [ -0.0005366700000000, 0.0003294900000000, -0.0009118200000000 ] - [ 0.0005366700000000, 0.0003294900000000, -0.0009118200000000 ] - [ 0.0006395700000000, 0.0001852200000000, 0.0003469800000000 ] - [ -0.0006395700000000, 0.0001852200000000, 0.0003469800000000 ] - [ 0.0000000000000000, -0.0182570200000000, -0.0004320100000000 ] - [ -0.0039294200000000, -0.0027882000000000, 0.0007980300000000 ] - [ 0.0000000000000000, 0.0002031400000000, 0.0011257100000000 ] - [ 0.0039294200000000, -0.0027882000000000, 0.0007980300000000 ] - [ 0.0000000000000000, 0.0005113300000000, -0.0065938400000000 ] - [ 0.0007003400000000, 0.0003838200000000, -0.0038809900000000 ] - [ 0.0000000000000000, 0.0003419900000000, -0.0019351500000000 ] - [ -0.0007003400000000, 0.0003838200000000, -0.0038809900000000 ] - [ 0.0000000000000000, 0.0001197100000000, 0.0016237900000000 ] - [ -0.0003792300000000, -0.0001361700000000, 0.0008941400000000 ] - [ 0.0000000000000000, -0.0002837300000000, 0.0004557900000000 ] - [ 0.0003792300000000, -0.0001361700000000, 0.0008941400000000 ] - [ 0.0000000000000000, -0.0034167700000000, -0.0033206400000000 ] - [ 0.0019493900000000, -0.0017861500000000, -0.0019368200000000 ] - [ 0.0000000000000000, -0.0004883700000000, -0.0005703100000000 ] - [ -0.0019493900000000, -0.0017861500000000, -0.0019368200000000 ] - [ 0.0000000000000000, 0.0153198900000000, -0.0469538600000000 ] - [ -0.0044479600000000, 0.0016065900000000, -0.0011315800000000 ] - [ 0.0000000000000000, 0.0019006600000000, -0.0006093700000000 ] - [ 0.0044479600000000, 0.0016065900000000, -0.0011315800000000 ] - [ 0.0000000000000000, -0.0015820200000000, -0.0208465700000000 ] - [ 0.0033689300000000, -0.0015247600000000, -0.0043944700000000 ] - [ 0.0000000000000000, -0.0011581700000000, -0.0030213300000000 ] - [ -0.0033689300000000, -0.0015247600000000, -0.0043944700000000 ] - [ 0.0000000000000000, 0.0003845000000000, 0.0099636100000000 ] - [ 0.0002167800000000, -0.0018844000000000, 0.0052620200000000 ] - [ 0.0000000000000000, -0.0015042300000000, 0.0035032300000000 ] - [ -0.0002167800000000, -0.0018844000000000, 0.0052620200000000 ] - [ -0.0012328300000000, -0.0033149400000000, 0.0034611800000000 ] - [ 0.0012328300000000, -0.0033149400000000, 0.0034611800000000 ] - [ 0.0003066600000000, -0.0015288400000000, 0.0007382500000000 ] - [ -0.0003066600000000, -0.0015288400000000, 0.0007382500000000 ] - [ -0.0040163700000000, -0.0008159600000000, -0.0146192500000000 ] - [ 0.0040163700000000, -0.0008159600000000, -0.0146192500000000 ] - [ 0.0002771300000000, 0.0010779500000000, 0.0015295700000000 ] - [ -0.0002771300000000, 0.0010779500000000, 0.0015295700000000 ] - [ 0.0038814200000000, 0.0047729300000000, 0.0012075400000000 ] - [ -0.0038814200000000, 0.0047729300000000, 0.0012075400000000 ] - [ -0.0007637700000000, 0.0019282700000000, -0.0022045400000000 ] - [ 0.0007637700000000, 0.0019282700000000, -0.0022045400000000 ] - [ 0.0022099800000000, -0.0015534000000000, 0.0044019200000000 ] - [ -0.0022099800000000, -0.0015534000000000, 0.0044019200000000 ] - [ -0.0005941900000000, -0.0003675400000000, 0.0008890700000000 ] - [ 0.0005941900000000, -0.0003675400000000, 0.0008890700000000 ] - [ -0.0026411100000000, 0.0017775900000000, -0.0133996500000000 ] - [ 0.0026411100000000, 0.0017775900000000, -0.0133996500000000 ] - [ 0.0008488200000000, -0.0003721400000000, -0.0009398600000000 ] - [ -0.0008488200000000, -0.0003721400000000, -0.0009398600000000 ] - [ 0.0013623900000000, 0.0027766800000000, -0.0010663300000000 ] - [ -0.0013623900000000, 0.0027766800000000, -0.0010663300000000 ] - [ -0.0003572600000000, 0.0017640300000000, -0.0005834000000000 ] - [ 0.0003572600000000, 0.0017640300000000, -0.0005834000000000 ] - [ -0.0011385400000000, 0.0007794900000000, -0.0031009600000000 ] - [ 0.0011385400000000, 0.0007794900000000, -0.0031009600000000 ] - [ 0.0007382700000000, -0.0008274400000000, -0.0031541200000000 ] - [ -0.0007382700000000, -0.0008274400000000, -0.0031541200000000 ] - [ -0.0000379700000000, -0.0015433500000000, 0.0042913200000000 ] - [ 0.0000379700000000, -0.0015433500000000, 0.0042913200000000 ] - [ -0.0001427500000000, -0.0016192500000000, 0.0036091500000000 ] - [ 0.0001427500000000, -0.0016192500000000, 0.0036091500000000 ] - [ 0.0000000000000000, 0.0019054200000000, 0.0047672100000000 ] - [ 0.0015579800000000, 0.0001337200000000, 0.0016892200000000 ] - [ 0.0000000000000000, -0.0011792300000000, 0.0005467800000000 ] - [ -0.0015579800000000, 0.0001337200000000, 0.0016892200000000 ] - [ 0.0000000000000000, 0.0002824100000000, -0.0011238200000000 ] - [ -0.0005684000000000, 0.0009404400000000, 0.0000339900000000 ] - [ 0.0000000000000000, 0.0009615600000000, 0.0018561000000000 ] - [ 0.0005684000000000, 0.0009404400000000, 0.0000339900000000 ] - [ 0.0000000000000000, 0.0000456200000000, -0.0005203100000000 ] - [ -0.0012865000000000, 0.0005451000000000, -0.0009904700000000 ] - [ 0.0000000000000000, 0.0013036700000000, -0.0022968300000000 ] - [ 0.0012865000000000, 0.0005451000000000, -0.0009904700000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0074694800000000, -0.0023388400000000, 0.0000285100000000 ] - [ -0.0014166800000000, -0.0036805000000000, -0.0022268400000000 ] - [ -0.0018782600000000, -0.0023537600000000, -0.0000020400000000 ] - [ -0.0014250500000000, -0.0010293800000000, 0.0022136000000000 ] - [ 0.0013482000000000, 0.0034060400000000, -0.0009488200000000 ] - [ 0.0013533800000000, 0.0012919400000000, 0.0009539100000000 ] - [ -0.0013731200000000, 0.0017853500000000, 0.0007568600000000 ] - [ -0.0013742700000000, 0.0029151600000000, -0.0007524000000000 ] - [ 0.0013482000000000, -0.0034060400000000, 0.0009488200000000 ] - [ 0.0013533800000000, -0.0012919400000000, -0.0009539100000000 ] - [ -0.0013731200000000, -0.0017853500000000, -0.0007568600000000 ] - [ -0.0013742700000000, -0.0029151600000000, 0.0007524000000000 ] - [ 0.0074694800000000, 0.0023388400000000, -0.0000285100000000 ] - [ -0.0014166800000000, 0.0036805000000000, 0.0022268400000000 ] - [ -0.0018782600000000, 0.0023537600000000, 0.0000020400000000 ] - [ -0.0014250500000000, 0.0010293800000000, -0.0022136000000000 ] - [ 0.0015367600000000, -0.0002873600000000, -0.0007975800000000 ] - [ -0.0000392700000000, -0.0004657500000000, -0.0011784900000000 ] - [ -0.0014486900000000, -0.0002928000000000, -0.0008010600000000 ] - [ -0.0000489300000000, -0.0001146100000000, -0.0004238800000000 ] - [ 0.0056968300000000, -0.0002830300000000, 0.0008020800000000 ] - [ -0.0011272400000000, -0.0025404400000000, -0.0011535900000000 ] - [ -0.0031153200000000, -0.0002931700000000, 0.0007991700000000 ] - [ -0.0011349500000000, 0.0019545600000000, 0.0027479100000000 ] - [ 0.0014222300000000, 0.0015973700000000, -0.0014033000000000 ] - [ 0.0014248600000000, -0.0010121900000000, 0.0030086600000000 ] - [ -0.0014453400000000, -0.0000209600000000, 0.0013936500000000 ] - [ -0.0014514500000000, 0.0006022000000000, 0.0002111600000000 ] - [ 0.0058161400000000, 0.0096905900000000, -0.0035129000000000 ] - [ 0.0064560700000000, -0.0085927300000000, 0.0016273300000000 ] - [ -0.0069030600000000, -0.0005300900000000, 0.0000437000000000 ] - [ -0.0068822900000000, 0.0010938800000000, -0.0016349700000000 ] - [ 0.0014222300000000, -0.0015973700000000, 0.0014033000000000 ] - [ 0.0014248600000000, 0.0010121900000000, -0.0030086600000000 ] - [ -0.0014453400000000, 0.0000209600000000, -0.0013936500000000 ] - [ -0.0014514500000000, -0.0006022000000000, -0.0002111600000000 ] - [ 0.0058161400000000, -0.0096905900000000, 0.0035129000000000 ] - [ 0.0064560700000000, 0.0085927300000000, -0.0016273300000000 ] - [ -0.0069030600000000, 0.0005300900000000, -0.0000437000000000 ] - [ -0.0068822900000000, -0.0010938800000000, 0.0016349700000000 ] - [ 0.0015367600000000, 0.0002873600000000, 0.0007975800000000 ] - [ -0.0000392700000000, 0.0004657500000000, 0.0011784900000000 ] - [ -0.0014486900000000, 0.0002928000000000, 0.0008010600000000 ] - [ -0.0000489300000000, 0.0001146100000000, 0.0004238800000000 ] - [ 0.0056968300000000, 0.0002830300000000, -0.0008020800000000 ] - [ -0.0011272400000000, 0.0025404400000000, 0.0011535900000000 ] - [ -0.0031153200000000, 0.0002931700000000, -0.0007991700000000 ] - [ -0.0011349500000000, -0.0019545600000000, -0.0027479100000000 ] - [ -0.0650184000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0117133700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0048905400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0115914800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0019459800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003868100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011881400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003917900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0013277100000000, 0.0015097700000000, 0.0000003300000000 ] - [ 0.0001469600000000, 0.0020191200000000, 0.0011207500000000 ] - [ 0.0011208400000000, 0.0015131300000000, 0.0000012700000000 ] - [ 0.0001505800000000, 0.0010053500000000, -0.0011178800000000 ] - [ -0.0017962600000000, -0.0013846000000000, -0.0027302400000000 ] - [ 0.0002635700000000, -0.0011446400000000, -0.0032002600000000 ] - [ 0.0013148700000000, -0.0013841900000000, -0.0027300000000000 ] - [ 0.0002692000000000, -0.0016237500000000, -0.0022593800000000 ] - [ -0.0093867700000000, -0.0014050400000000, 0.0027406900000000 ] - [ 0.0092436800000000, 0.0051834200000000, 0.0020656300000000 ] - [ 0.0037739200000000, -0.0013790600000000, 0.0027281700000000 ] - [ 0.0092074500000000, -0.0079212700000000, 0.0033902900000000 ] - [ -0.0005643500000000, -0.0009528200000000, 0.0076676500000000 ] - [ -0.0005955300000000, -0.0020879500000000, -0.0076874900000000 ] - [ 0.0014270600000000, -0.0016863300000000, -0.0011706200000000 ] - [ 0.0014278100000000, -0.0013389600000000, 0.0011594500000000 ] - [ -0.0010379800000000, 0.0007868000000000, 0.0029507100000000 ] - [ -0.0010525200000000, 0.0019733800000000, 0.0024997500000000 ] - [ 0.0009634100000000, 0.0017680500000000, 0.0029069500000000 ] - [ 0.0009659700000000, 0.0010017100000000, 0.0025518700000000 ] - [ -0.0009342500000000, -0.0045766900000000, -0.0055934200000000 ] - [ -0.0009661900000000, 0.0073451200000000, 0.0001511700000000 ] - [ 0.0020694700000000, 0.0019720900000000, -0.0020284800000000 ] - [ 0.0020706900000000, 0.0008023400000000, -0.0034243900000000 ] - [ -0.0017949900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0018011500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0019959200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0019999600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006576600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006602700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006447000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006478300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005643500000000, 0.0009528200000000, -0.0076676500000000 ] - [ -0.0005955300000000, 0.0020879500000000, 0.0076874900000000 ] - [ 0.0014270600000000, 0.0016863300000000, 0.0011706200000000 ] - [ 0.0014278100000000, 0.0013389600000000, -0.0011594500000000 ] - [ -0.0010379800000000, -0.0007868000000000, -0.0029507100000000 ] - [ -0.0010525200000000, -0.0019733800000000, -0.0024997500000000 ] - [ 0.0009634100000000, -0.0017680500000000, -0.0029069500000000 ] - [ 0.0009659700000000, -0.0010017100000000, -0.0025518700000000 ] - [ -0.0009342500000000, 0.0045766900000000, 0.0055934200000000 ] - [ -0.0009661900000000, -0.0073451200000000, -0.0001511700000000 ] - [ 0.0020694700000000, -0.0019720900000000, 0.0020284800000000 ] - [ 0.0020706900000000, -0.0008023400000000, 0.0034243900000000 ] - [ -0.0013277100000000, -0.0015097700000000, -0.0000003300000000 ] - [ 0.0001469600000000, -0.0020191200000000, -0.0011207500000000 ] - [ 0.0011208400000000, -0.0015131300000000, -0.0000012700000000 ] - [ 0.0001505800000000, -0.0010053500000000, 0.0011178800000000 ] - [ -0.0017962600000000, 0.0013846000000000, 0.0027302400000000 ] - [ 0.0002635700000000, 0.0011446400000000, 0.0032002600000000 ] - [ 0.0013148700000000, 0.0013841900000000, 0.0027300000000000 ] - [ 0.0002692000000000, 0.0016237500000000, 0.0022593800000000 ] - [ -0.0093867700000000, 0.0014050400000000, -0.0027406900000000 ] - [ 0.0092436800000000, -0.0051834200000000, -0.0020656300000000 ] - [ 0.0037739200000000, 0.0013790600000000, -0.0027281700000000 ] - [ 0.0092074500000000, 0.0079212700000000, -0.0033902900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0023651800000000, -0.0046943300000000 ] - [ -0.0006364500000000, -0.0006509900000000, -0.0008093100000000 ] - [ 0.0000000000000000, -0.0018910600000000, -0.0001249100000000 ] - [ 0.0006364500000000, -0.0006509900000000, -0.0008093100000000 ] - [ 0.0006278800000000, -0.0002906300000000, 0.0016492400000000 ] - [ -0.0006278800000000, -0.0002906300000000, 0.0016492400000000 ] - [ -0.0004381000000000, 0.0014582000000000, 0.0005032100000000 ] - [ 0.0004381000000000, 0.0014582000000000, 0.0005032100000000 ] - [ -0.0006185500000000, -0.0049897300000000, 0.0016363400000000 ] - [ 0.0006185500000000, -0.0049897300000000, 0.0016363400000000 ] - [ 0.0004358600000000, -0.0032479300000000, 0.0005024700000000 ] - [ -0.0004358600000000, -0.0032479300000000, 0.0005024700000000 ] - [ 0.0000000000000000, 0.0070051500000000, -0.0047563200000000 ] - [ 0.0006420300000000, 0.0040439100000000, -0.0008107100000000 ] - [ 0.0000000000000000, 0.0028121800000000, -0.0001260500000000 ] - [ -0.0006420300000000, 0.0040439100000000, -0.0008107100000000 ] - [ 0.0000000000000000, -0.0013851400000000, -0.0009162400000000 ] - [ -0.0003775600000000, -0.0009440300000000, -0.0006655500000000 ] - [ 0.0000000000000000, -0.0006666500000000, -0.0005163100000000 ] - [ 0.0003775600000000, -0.0009440300000000, -0.0006655500000000 ] - [ 0.0000000000000000, -0.0076764900000000, -0.0026288600000000 ] - [ -0.0021503400000000, -0.0036738400000000, -0.0009870100000000 ] - [ 0.0000000000000000, -0.0011912800000000, 0.0003125200000000 ] - [ 0.0021503400000000, -0.0036738400000000, -0.0009870100000000 ] - [ 0.0002812300000000, 0.0006982000000000, 0.0023483200000000 ] - [ -0.0002812300000000, 0.0006982000000000, 0.0023483200000000 ] - [ -0.0002812500000000, 0.0007364200000000, 0.0011682300000000 ] - [ 0.0002812500000000, 0.0007364200000000, 0.0011682300000000 ] - [ 0.0097708900000000, 0.0088119400000000, 0.0008141800000000 ] - [ -0.0097708900000000, 0.0088119400000000, 0.0008141800000000 ] - [ -0.0018540300000000, 0.0024098300000000, -0.0011760000000000 ] - [ 0.0018540300000000, 0.0024098300000000, -0.0011760000000000 ] - [ -0.0002776200000000, 0.0001054100000000, 0.0007510000000000 ] - [ 0.0002776200000000, 0.0001054100000000, 0.0007510000000000 ] - [ 0.0002842300000000, 0.0001511200000000, -0.0004317200000000 ] - [ -0.0002842300000000, 0.0001511200000000, -0.0004317200000000 ] - [ -0.0102114800000000, 0.0078143100000000, 0.0026254300000000 ] - [ 0.0102114800000000, 0.0078143100000000, 0.0026254300000000 ] - [ 0.0018557300000000, 0.0018216700000000, 0.0004255200000000 ] - [ -0.0018557300000000, 0.0018216700000000, 0.0004255200000000 ] - [ 0.0000000000000000, -0.0008112300000000, 0.0006841500000000 ] - [ 0.0003793800000000, -0.0003662400000000, 0.0009378300000000 ] - [ 0.0000000000000000, -0.0000827500000000, 0.0010846800000000 ] - [ -0.0003793800000000, -0.0003662400000000, 0.0009378300000000 ] - [ 0.0000000000000000, -0.0070797500000000, -0.0042037900000000 ] - [ 0.0021368400000000, -0.0030934800000000, -0.0025885800000000 ] - [ 0.0000000000000000, -0.0006127000000000, -0.0012886700000000 ] - [ -0.0021368400000000, -0.0030934800000000, -0.0025885800000000 ] - [ 0.0000000000000000, -0.0747785900000000, 0.0163169900000000 ] - [ -0.0000073400000000, -0.0048396300000000, 0.0016610500000000 ] - [ 0.0000000000000000, -0.0012291500000000, 0.0006377000000000 ] - [ 0.0000073400000000, -0.0048396300000000, 0.0016610500000000 ] - [ 0.0000000000000000, -0.0013647100000000, -0.0000785900000000 ] - [ -0.0000010200000000, -0.0007305000000000, -0.0004273100000000 ] - [ 0.0000000000000000, -0.0004017500000000, -0.0002088300000000 ] - [ 0.0000010200000000, -0.0007305000000000, -0.0004273100000000 ] - [ 0.0000000000000000, 0.0039008400000000, 0.0014545600000000 ] - [ 0.0000532300000000, 0.0031012000000000, 0.0008629700000000 ] - [ 0.0000000000000000, 0.0022803800000000, 0.0001915400000000 ] - [ -0.0000532300000000, 0.0031012000000000, 0.0008629700000000 ] - [ 0.0000000000000000, -0.0013300800000000, -0.0034650500000000 ] - [ 0.0004286000000000, -0.0014236900000000, -0.0031957000000000 ] - [ 0.0000000000000000, -0.0015140700000000, -0.0029700700000000 ] - [ -0.0004286000000000, -0.0014236900000000, -0.0031957000000000 ] - [ 0.0000000000000000, 0.0111920200000000, -0.0021173900000000 ] - [ 0.0076927700000000, 0.0043255600000000, 0.0021717300000000 ] - [ 0.0000000000000000, -0.0013246300000000, 0.0027917700000000 ] - [ -0.0076927700000000, 0.0043255600000000, 0.0021717300000000 ] - [ -0.0005973200000000, -0.0053877600000000, -0.0048332000000000 ] - [ 0.0005973200000000, -0.0053877600000000, -0.0048332000000000 ] - [ 0.0001750600000000, -0.0022939700000000, -0.0003758200000000 ] - [ -0.0001750600000000, -0.0022939700000000, -0.0003758200000000 ] - [ -0.0005860800000000, 0.0018497000000000, 0.0029648200000000 ] - [ 0.0005860800000000, 0.0018497000000000, 0.0029648200000000 ] - [ 0.0001580300000000, 0.0014206800000000, 0.0026012100000000 ] - [ -0.0001580300000000, 0.0014206800000000, 0.0026012100000000 ] - [ -0.0037781700000000, 0.0065591100000000, 0.0007661700000000 ] - [ 0.0037781700000000, 0.0065591100000000, 0.0007661700000000 ] - [ 0.0007592100000000, 0.0011829100000000, -0.0020578500000000 ] - [ -0.0007592100000000, 0.0011829100000000, -0.0020578500000000 ] - [ -0.0000038800000000, 0.0034804000000000, -0.0001804100000000 ] - [ 0.0000038800000000, 0.0034804000000000, -0.0001804100000000 ] - [ 0.0000025900000000, 0.0017494300000000, -0.0001058300000000 ] - [ -0.0000025900000000, 0.0017494300000000, -0.0001058300000000 ] - [ -0.0000000600000000, 0.0007911400000000, -0.0001744200000000 ] - [ 0.0000000600000000, 0.0007911400000000, -0.0001744200000000 ] - [ 0.0000001900000000, 0.0004328300000000, -0.0001113800000000 ] - [ -0.0000001900000000, 0.0004328300000000, -0.0001113800000000 ] - [ 0.0006188000000000, -0.0023341100000000, -0.0048488300000000 ] - [ -0.0006188000000000, -0.0023341100000000, -0.0048488300000000 ] - [ -0.0001759600000000, 0.0007324200000000, -0.0003752500000000 ] - [ 0.0001759600000000, 0.0007324200000000, -0.0003752500000000 ] - [ 0.0005914100000000, -0.0009098500000000, -0.0024907500000000 ] - [ -0.0005914100000000, -0.0009098500000000, -0.0024907500000000 ] - [ -0.0001581200000000, -0.0013455800000000, -0.0028568500000000 ] - [ 0.0001581200000000, -0.0013455800000000, -0.0028568500000000 ] - [ 0.0037471000000000, 0.0037777700000000, 0.0061997000000000 ] - [ -0.0037471000000000, 0.0037777700000000, 0.0061997000000000 ] - [ -0.0007570500000000, -0.0015816600000000, 0.0033996700000000 ] - [ 0.0007570500000000, -0.0015816600000000, 0.0033996700000000 ] - [ 0.0000000000000000, 0.0008787200000000, 0.0014430400000000 ] - [ -0.0000499500000000, 0.0000770200000000, 0.0008598000000000 ] - [ 0.0000000000000000, -0.0007464100000000, 0.0001908100000000 ] - [ 0.0000499500000000, 0.0000770200000000, 0.0008598000000000 ] - [ 0.0000000000000000, 0.0014456000000000, 0.0019978900000000 ] - [ -0.0004294400000000, 0.0013498300000000, 0.0022636200000000 ] - [ 0.0000000000000000, 0.0012562900000000, 0.0024891700000000 ] - [ 0.0004294400000000, 0.0013498300000000, 0.0022636200000000 ] - [ 0.0000000000000000, 0.0137977900000000, -0.0074843500000000 ] - [ -0.0076821600000000, 0.0070754400000000, -0.0032846200000000 ] - [ 0.0000000000000000, 0.0014466600000000, -0.0026659000000000 ] - [ 0.0076821600000000, 0.0070754400000000, -0.0032846200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0085409800000000, -0.0056211200000000 ] - [ -0.0020969200000000, -0.0035054500000000, -0.0002950200000000 ] - [ 0.0000000000000000, -0.0025510100000000, 0.0000445100000000 ] - [ 0.0020969200000000, -0.0035054500000000, -0.0002950200000000 ] - [ -0.0003291300000000, 0.0036206700000000, -0.0007286200000000 ] - [ 0.0003291300000000, 0.0036206700000000, -0.0007286200000000 ] - [ 0.0003246900000000, 0.0027451000000000, -0.0002451900000000 ] - [ -0.0003246900000000, 0.0027451000000000, -0.0002451900000000 ] - [ 0.0003315600000000, -0.0010821500000000, -0.0007208100000000 ] - [ -0.0003315600000000, -0.0010821500000000, -0.0007208100000000 ] - [ -0.0003244900000000, -0.0019596800000000, -0.0002397100000000 ] - [ 0.0003244900000000, -0.0019596800000000, -0.0002397100000000 ] - [ 0.0000000000000000, -0.0038550400000000, -0.0057577600000000 ] - [ 0.0020827500000000, 0.0012022300000000, -0.0003044600000000 ] - [ 0.0000000000000000, 0.0021524600000000, 0.0000396800000000 ] - [ -0.0020827500000000, 0.0012022300000000, -0.0003044600000000 ] - [ 0.0000000000000000, -0.0010160100000000, -0.0024217000000000 ] - [ -0.0003869000000000, -0.0004871100000000, -0.0016946900000000 ] - [ 0.0000000000000000, -0.0002883200000000, -0.0012564900000000 ] - [ 0.0003869000000000, -0.0004871100000000, -0.0016946900000000 ] - [ 0.0000000000000000, -0.0006882900000000, 0.0041330100000000 ] - [ -0.0007489700000000, -0.0000795300000000, 0.0027463200000000 ] - [ 0.0000000000000000, -0.0000856700000000, 0.0013760100000000 ] - [ 0.0007489700000000, -0.0000795300000000, 0.0027463200000000 ] - [ -0.0002870700000000, 0.0016790100000000, -0.0035985300000000 ] - [ 0.0002870700000000, 0.0016790100000000, -0.0035985300000000 ] - [ 0.0003046200000000, 0.0002527500000000, -0.0000901200000000 ] - [ -0.0003046200000000, 0.0002527500000000, -0.0000901200000000 ] - [ -0.0057277200000000, 0.0039948000000000, 0.0125900500000000 ] - [ 0.0057277200000000, 0.0039948000000000, 0.0125900500000000 ] - [ 0.0010651800000000, -0.0005917700000000, 0.0001407800000000 ] - [ -0.0010651800000000, -0.0005917700000000, 0.0001407800000000 ] - [ 0.0003008200000000, 0.0011037600000000, -0.0052044900000000 ] - [ -0.0003008200000000, 0.0011037600000000, -0.0052044900000000 ] - [ -0.0003084700000000, -0.0003336900000000, -0.0016870700000000 ] - [ 0.0003084700000000, -0.0003336900000000, -0.0016870700000000 ] - [ 0.0055839200000000, 0.0032953300000000, 0.0142577100000000 ] - [ -0.0055839200000000, 0.0032953300000000, 0.0142577100000000 ] - [ -0.0010563900000000, -0.0011743500000000, 0.0017471600000000 ] - [ 0.0010563900000000, -0.0011743500000000, 0.0017471600000000 ] - [ 0.0000000000000000, -0.0004133800000000, -0.0008236900000000 ] - [ 0.0003814500000000, 0.0001043800000000, -0.0000960800000000 ] - [ 0.0000000000000000, 0.0003026000000000, 0.0003410300000000 ] - [ -0.0003814500000000, 0.0001043800000000, -0.0000960800000000 ] - [ 0.0000000000000000, -0.0001087800000000, 0.0025184800000000 ] - [ 0.0007455200000000, 0.0005026900000000, 0.0011335400000000 ] - [ 0.0000000000000000, 0.0004976100000000, -0.0002300100000000 ] - [ -0.0007455200000000, 0.0005026900000000, 0.0011335400000000 ] - [ 0.0000000000000000, 0.0163120800000000, -0.0493722100000000 ] - [ -0.0000117100000000, 0.0016604000000000, -0.0028507900000000 ] - [ 0.0000000000000000, 0.0006383700000000, -0.0005614200000000 ] - [ 0.0000117100000000, 0.0016604000000000, -0.0028507900000000 ] - [ 0.0000000000000000, 0.0000790000000000, 0.0029133800000000 ] - [ 0.0000040100000000, 0.0004282300000000, 0.0012100700000000 ] - [ 0.0000000000000000, 0.0002099700000000, 0.0003632300000000 ] - [ -0.0000040100000000, 0.0004282300000000, 0.0012100700000000 ] - [ 0.0000000000000000, 0.0012834500000000, -0.0002459000000000 ] - [ 0.0002544100000000, 0.0011876600000000, -0.0001410800000000 ] - [ 0.0000000000000000, 0.0011571300000000, -0.0000899700000000 ] - [ -0.0002544100000000, 0.0011876600000000, -0.0001410800000000 ] - [ 0.0000000000000000, -0.0020259400000000, -0.0014633500000000 ] - [ -0.0003805200000000, -0.0017412300000000, -0.0018045700000000 ] - [ 0.0000000000000000, -0.0013463800000000, -0.0023399000000000 ] - [ 0.0003805200000000, -0.0017412300000000, -0.0018045700000000 ] - [ 0.0000000000000000, -0.0076995200000000, 0.0017871100000000 ] - [ -0.0044683100000000, -0.0049089600000000, 0.0025392400000000 ] - [ 0.0000000000000000, -0.0014312700000000, 0.0023815300000000 ] - [ 0.0044683100000000, -0.0049089600000000, 0.0025392400000000 ] - [ 0.0043539100000000, -0.0034884300000000, 0.0059359900000000 ] - [ -0.0043539100000000, -0.0034884300000000, 0.0059359900000000 ] - [ -0.0005379800000000, -0.0015351600000000, 0.0001442200000000 ] - [ 0.0005379800000000, -0.0015351600000000, 0.0001442200000000 ] - [ -0.0012915600000000, 0.0021586400000000, 0.0049706600000000 ] - [ 0.0012915600000000, 0.0021586400000000, 0.0049706600000000 ] - [ 0.0001881300000000, 0.0014786900000000, 0.0032495900000000 ] - [ -0.0001881300000000, 0.0014786900000000, 0.0032495900000000 ] - [ -0.0019522700000000, 0.0040828200000000, -0.0057185800000000 ] - [ 0.0019522700000000, 0.0040828200000000, -0.0057185800000000 ] - [ 0.0000916200000000, 0.0014708400000000, -0.0034798700000000 ] - [ -0.0000916200000000, 0.0014708400000000, -0.0034798700000000 ] - [ -0.0000002100000000, -0.0001804300000000, -0.0009155200000000 ] - [ 0.0000002100000000, -0.0001804300000000, -0.0009155200000000 ] - [ -0.0000005700000000, -0.0001053900000000, -0.0005256800000000 ] - [ 0.0000005700000000, -0.0001053900000000, -0.0005256800000000 ] - [ -0.0000013300000000, 0.0001741500000000, 0.0006345400000000 ] - [ 0.0000013300000000, 0.0001741500000000, 0.0006345400000000 ] - [ 0.0000016800000000, 0.0001109400000000, 0.0004352300000000 ] - [ -0.0000016800000000, 0.0001109400000000, 0.0004352300000000 ] - [ -0.0044076600000000, -0.0004970400000000, 0.0059612700000000 ] - [ 0.0044076600000000, -0.0004970400000000, 0.0059612700000000 ] - [ 0.0005413200000000, 0.0014851600000000, 0.0001379200000000 ] - [ -0.0005413200000000, 0.0014851600000000, 0.0001379200000000 ] - [ 0.0012748400000000, -0.0006222900000000, -0.0004927000000000 ] - [ -0.0012748400000000, -0.0006222900000000, -0.0004927000000000 ] - [ -0.0001852000000000, -0.0012886300000000, -0.0022074400000000 ] - [ 0.0001852000000000, -0.0012886300000000, -0.0022074400000000 ] - [ 0.0019509300000000, 0.0013143600000000, -0.0002399000000000 ] - [ -0.0019509300000000, 0.0013143600000000, -0.0002399000000000 ] - [ -0.0000914900000000, -0.0012980300000000, 0.0019828800000000 ] - [ 0.0000914900000000, -0.0012980300000000, 0.0019828800000000 ] - [ 0.0000000000000000, -0.0017440000000000, -0.0002387700000000 ] - [ -0.0002533200000000, -0.0018379700000000, -0.0001339500000000 ] - [ 0.0000000000000000, -0.0018691200000000, -0.0000863100000000 ] - [ 0.0002533200000000, -0.0018379700000000, -0.0001339500000000 ] - [ 0.0000000000000000, 0.0007329200000000, 0.0039915700000000 ] - [ 0.0003871900000000, 0.0010203600000000, 0.0036502700000000 ] - [ 0.0000000000000000, 0.0014190900000000, 0.0031165200000000 ] - [ -0.0003871900000000, 0.0010203600000000, 0.0036502700000000 ] - [ 0.0000000000000000, -0.0049274300000000, -0.0036975700000000 ] - [ 0.0044421000000000, -0.0021214300000000, -0.0029136400000000 ] - [ 0.0000000000000000, 0.0013379900000000, -0.0030777800000000 ] - [ -0.0044421000000000, -0.0021214300000000, -0.0029136400000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0033203300000000, -0.0023675700000000, 0.0000000000000000 ] - [ -0.0007971900000000, -0.0011244100000000, 0.0000000000000000 ] - [ -0.0012126600000000, -0.0023517700000000, 0.0000000000000000 ] - [ -0.0008006600000000, -0.0035786200000000, 0.0000000000000000 ] - [ 0.0007687300000000, 0.0019788300000000, 0.0000000000000000 ] - [ 0.0007803600000000, 0.0027395600000000, 0.0000000000000000 ] - [ -0.0007644200000000, 0.0024439800000000, 0.0000000000000000 ] - [ -0.0007688000000000, 0.0022615700000000, 0.0000000000000000 ] - [ 0.0102642400000000, -0.0086629300000000, 0.0000000000000000 ] - [ 0.0105030700000000, 0.0044059700000000, 0.0000000000000000 ] - [ -0.0033992700000000, -0.0032339800000000, 0.0000000000000000 ] - [ -0.0033796800000000, -0.0014796700000000, 0.0000000000000000 ] - [ 0.0007943500000000, 0.0023475000000000, 0.0000000000000000 ] - [ -0.0000457200000000, 0.0022998700000000, 0.0000000000000000 ] - [ -0.0006905800000000, 0.0023520700000000, 0.0000000000000000 ] - [ -0.0000484900000000, 0.0024003100000000, 0.0000000000000000 ] - [ 0.0122599200000000, -0.0002682900000000, -0.0009038500000000 ] - [ -0.0035839700000000, 0.0017223600000000, -0.0052530200000000 ] - [ -0.0023818500000000, -0.0002901600000000, -0.0008053600000000 ] - [ -0.0035852200000000, -0.0022824900000000, 0.0036153300000000 ] - [ 0.0122599200000000, -0.0002682900000000, 0.0009038500000000 ] - [ -0.0035839700000000, 0.0017223600000000, 0.0052530200000000 ] - [ -0.0023818500000000, -0.0002901600000000, 0.0008053600000000 ] - [ -0.0035852200000000, -0.0022824900000000, -0.0036153300000000 ] - [ 0.0010271000000000, -0.0005168900000000, 0.0020312600000000 ] - [ 0.0010517300000000, 0.0010805400000000, -0.0004343500000000 ] - [ -0.0010962100000000, 0.0005655000000000, 0.0004921500000000 ] - [ -0.0010998300000000, 0.0000176700000000, 0.0011063900000000 ] - [ 0.0010271000000000, -0.0005168900000000, -0.0020312600000000 ] - [ 0.0010517300000000, 0.0010805400000000, 0.0004343500000000 ] - [ -0.0010962100000000, 0.0005655000000000, -0.0004921500000000 ] - [ -0.0010998300000000, 0.0000176700000000, -0.0011063900000000 ] - [ 0.0017726800000000, 0.0009647300000000, 0.0005453000000000 ] - [ 0.0017717600000000, -0.0015686800000000, -0.0021642300000000 ] - [ -0.0017969200000000, -0.0009819500000000, -0.0011607300000000 ] - [ -0.0017979800000000, 0.0003914000000000, -0.0004448600000000 ] - [ 0.0017726800000000, 0.0009647300000000, -0.0005453000000000 ] - [ 0.0017717600000000, -0.0015686800000000, 0.0021642300000000 ] - [ -0.0017969200000000, -0.0009819500000000, 0.0011607300000000 ] - [ -0.0017979800000000, 0.0003914000000000, 0.0004448600000000 ] - [ 0.0034590200000000, 0.0002981200000000, 0.0007988500000000 ] - [ -0.0008805500000000, -0.0004111600000000, -0.0007663500000000 ] - [ -0.0017469600000000, 0.0002916800000000, 0.0007975300000000 ] - [ -0.0008828600000000, 0.0009988300000000, 0.0023591400000000 ] - [ 0.0034590200000000, 0.0002981200000000, -0.0007988500000000 ] - [ -0.0008805500000000, -0.0004111600000000, 0.0007663500000000 ] - [ -0.0017469600000000, 0.0002916800000000, -0.0007975300000000 ] - [ -0.0008828600000000, 0.0009988300000000, -0.0023591400000000 ] - [ -0.0013276600000000, 0.0000063300000000, -0.0000031700000000 ] - [ 0.0001463000000000, -0.0000482000000000, -0.0002561600000000 ] - [ 0.0011209100000000, 0.0000018300000000, -0.0000016900000000 ] - [ 0.0001511400000000, 0.0000553900000000, 0.0002516100000000 ] - [ -0.0013276600000000, 0.0000063300000000, 0.0000031700000000 ] - [ 0.0001463000000000, -0.0000482000000000, 0.0002561600000000 ] - [ 0.0011209100000000, 0.0000018300000000, 0.0000016900000000 ] - [ 0.0001511400000000, 0.0000553900000000, -0.0002516100000000 ] - [ -0.0530243800000000, 0.0009869900000000, 0.0000000000000000 ] - [ 0.0079024600000000, 0.0006214200000000, 0.0000000000000000 ] - [ 0.0020784600000000, 0.0015107200000000, 0.0000000000000000 ] - [ 0.0078092300000000, 0.0023898200000000, 0.0000000000000000 ] - [ -0.0006709100000000, -0.0013462200000000, -0.0027725900000000 ] - [ 0.0004175800000000, -0.0020707500000000, -0.0018874400000000 ] - [ 0.0009512200000000, -0.0013846600000000, -0.0027279600000000 ] - [ 0.0004271500000000, -0.0007012000000000, -0.0035672300000000 ] - [ -0.0006709100000000, -0.0013462200000000, 0.0027725900000000 ] - [ 0.0004175800000000, -0.0020707500000000, 0.0018874400000000 ] - [ 0.0009512200000000, -0.0013846600000000, 0.0027279600000000 ] - [ 0.0004271500000000, -0.0007012000000000, 0.0035672300000000 ] - [ -0.0003277900000000, -0.0009524500000000, 0.0000000000000000 ] - [ -0.0003343100000000, -0.0020622900000000, 0.0000000000000000 ] - [ 0.0004026400000000, -0.0017235100000000, 0.0000000000000000 ] - [ 0.0004042500000000, -0.0013008600000000, 0.0000000000000000 ] - [ -0.0000217800000000, 0.0049292200000000, -0.0006420100000000 ] - [ -0.0000564900000000, -0.0021718000000000, 0.0061206200000000 ] - [ 0.0015128700000000, 0.0008568700000000, 0.0030354400000000 ] - [ 0.0015146500000000, 0.0019067100000000, 0.0024269800000000 ] - [ -0.0000217800000000, 0.0049292200000000, 0.0006420100000000 ] - [ -0.0000564900000000, -0.0021718000000000, -0.0061206200000000 ] - [ 0.0015128700000000, 0.0008568700000000, -0.0030354400000000 ] - [ 0.0015146500000000, 0.0019067100000000, -0.0024269800000000 ] - [ -0.0005674000000000, -0.0006122000000000, 0.0043688000000000 ] - [ -0.0005920700000000, 0.0006036600000000, -0.0043920700000000 ] - [ 0.0014268600000000, 0.0001750800000000, -0.0005423000000000 ] - [ 0.0014277200000000, -0.0001765500000000, 0.0005371800000000 ] - [ -0.0005674000000000, -0.0006122000000000, -0.0043688000000000 ] - [ -0.0005920700000000, 0.0006036600000000, 0.0043920700000000 ] - [ 0.0014268600000000, 0.0001750800000000, 0.0005423000000000 ] - [ 0.0014277200000000, -0.0001765500000000, -0.0005371800000000 ] - [ -0.0008035900000000, 0.0004459900000000, 0.0000000000000000 ] - [ -0.0008064400000000, 0.0025987500000000, 0.0000000000000000 ] - [ 0.0007870200000000, 0.0017420700000000, 0.0000000000000000 ] - [ 0.0007875800000000, 0.0012877400000000, 0.0000000000000000 ] - [ -0.0010090700000000, -0.0015276000000000, -0.0030199100000000 ] - [ -0.0010106400000000, -0.0012398000000000, -0.0024326200000000 ] - [ 0.0010862200000000, -0.0012329100000000, -0.0023507700000000 ] - [ 0.0010875700000000, -0.0015350200000000, -0.0031026800000000 ] - [ -0.0010090700000000, -0.0015276000000000, 0.0030199100000000 ] - [ -0.0010106400000000, -0.0012398000000000, 0.0024326200000000 ] - [ 0.0010862200000000, -0.0012329100000000, 0.0023507700000000 ] - [ 0.0010875700000000, -0.0015350200000000, 0.0031026800000000 ] - [ -0.0011431300000000, -0.0015167000000000, 0.0000000000000000 ] - [ 0.0002694400000000, -0.0016193600000000, 0.0000000000000000 ] - [ 0.0007008100000000, -0.0015141000000000, 0.0000000000000000 ] - [ 0.0002732200000000, -0.0014136000000000, 0.0000000000000000 ] - [ -0.0039331500000000, 0.0013851000000000, 0.0027383200000000 ] - [ 0.0020610600000000, 0.0034427800000000, 0.0054019900000000 ] - [ 0.0015691700000000, 0.0013852700000000, 0.0027315400000000 ] - [ 0.0020493600000000, -0.0006681800000000, 0.0000729300000000 ] - [ -0.0039331500000000, 0.0013851000000000, -0.0027383200000000 ] - [ 0.0020610600000000, 0.0034427800000000, -0.0054019900000000 ] - [ 0.0015691700000000, 0.0013852700000000, -0.0027315400000000 ] - [ 0.0020493600000000, -0.0006681800000000, -0.0000729300000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0134633400000000, 0.0000000000000000 ] - [ 0.0019514100000000, -0.0041342100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0026896000000000, 0.0000000000000000 ] - [ -0.0019514100000000, -0.0041342100000000, 0.0000000000000000 ] - [ -0.0008325600000000, 0.0041098300000000, 0.0000000000000000 ] - [ 0.0008325600000000, 0.0041098300000000, 0.0000000000000000 ] - [ 0.0002327800000000, 0.0028811900000000, 0.0000000000000000 ] - [ -0.0002327800000000, 0.0028811900000000, 0.0000000000000000 ] - [ -0.0108139200000000, 0.0134692000000000, 0.0000000000000000 ] - [ 0.0108139200000000, 0.0134692000000000, 0.0000000000000000 ] - [ -0.0023294100000000, -0.0015318200000000, 0.0000000000000000 ] - [ 0.0023294100000000, -0.0015318200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009014200000000, 0.0000000000000000 ] - [ 0.0002485600000000, 0.0014745100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019653600000000, 0.0000000000000000 ] - [ -0.0002485600000000, 0.0014745100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0135005100000000, -0.0136069000000000 ] - [ 0.0029470800000000, 0.0031816600000000, -0.0008868600000000 ] - [ 0.0000000000000000, 0.0004329900000000, -0.0011889300000000 ] - [ -0.0029470800000000, 0.0031816600000000, -0.0008868600000000 ] - [ 0.0000000000000000, 0.0135005100000000, 0.0136069000000000 ] - [ 0.0029470800000000, 0.0031816600000000, 0.0008868600000000 ] - [ 0.0000000000000000, 0.0004329900000000, 0.0011889300000000 ] - [ -0.0029470800000000, 0.0031816600000000, 0.0008868600000000 ] - [ -0.0018280000000000, -0.0022868700000000, 0.0026003400000000 ] - [ 0.0018280000000000, -0.0022868700000000, 0.0026003400000000 ] - [ 0.0007294300000000, -0.0002681400000000, 0.0008163500000000 ] - [ -0.0007294300000000, -0.0002681400000000, 0.0008163500000000 ] - [ -0.0018280000000000, -0.0022868700000000, -0.0026003400000000 ] - [ 0.0018280000000000, -0.0022868700000000, -0.0026003400000000 ] - [ 0.0007294300000000, -0.0002681400000000, -0.0008163500000000 ] - [ -0.0007294300000000, -0.0002681400000000, -0.0008163500000000 ] - [ 0.0003130400000000, -0.0046074700000000, -0.0020738000000000 ] - [ -0.0003130400000000, -0.0046074700000000, -0.0020738000000000 ] - [ -0.0008771900000000, -0.0019298900000000, -0.0010575000000000 ] - [ 0.0008771900000000, -0.0019298900000000, -0.0010575000000000 ] - [ 0.0003130400000000, -0.0046074700000000, 0.0020738000000000 ] - [ -0.0003130400000000, -0.0046074700000000, 0.0020738000000000 ] - [ -0.0008771900000000, -0.0019298900000000, 0.0010575000000000 ] - [ 0.0008771900000000, -0.0019298900000000, 0.0010575000000000 ] - [ 0.0000000000000000, 0.0014480400000000, -0.0026453300000000 ] - [ -0.0003397700000000, 0.0012906600000000, -0.0008581100000000 ] - [ 0.0000000000000000, 0.0007541500000000, 0.0004644400000000 ] - [ 0.0003397700000000, 0.0012906600000000, -0.0008581100000000 ] - [ 0.0000000000000000, 0.0014480400000000, 0.0026453300000000 ] - [ -0.0003397700000000, 0.0012906600000000, 0.0008581100000000 ] - [ 0.0000000000000000, 0.0007541500000000, -0.0004644400000000 ] - [ 0.0003397700000000, 0.0012906600000000, 0.0008581100000000 ] - [ 0.0000000000000000, 0.0023958300000000, -0.0002346700000000 ] - [ -0.0005072400000000, 0.0015935900000000, -0.0003276300000000 ] - [ 0.0000000000000000, 0.0007697200000000, -0.0003586100000000 ] - [ 0.0005072400000000, 0.0015935900000000, -0.0003276300000000 ] - [ 0.0000000000000000, 0.0023958300000000, 0.0002346700000000 ] - [ -0.0005072400000000, 0.0015935900000000, 0.0003276300000000 ] - [ 0.0000000000000000, 0.0007697200000000, 0.0003586100000000 ] - [ 0.0005072400000000, 0.0015935900000000, 0.0003276300000000 ] - [ 0.0000000000000000, -0.0688452100000000, 0.0000000000000000 ] - [ 0.0008734900000000, -0.0031181000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004332000000000, 0.0000000000000000 ] - [ -0.0008734900000000, -0.0031181000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0033959000000000, -0.0077142400000000 ] - [ -0.0012214800000000, -0.0018134400000000, -0.0032994000000000 ] - [ 0.0000000000000000, -0.0014809000000000, -0.0027054800000000 ] - [ 0.0012214800000000, -0.0018134400000000, -0.0032994000000000 ] - [ 0.0000000000000000, 0.0033959000000000, 0.0077142400000000 ] - [ -0.0012214800000000, -0.0018134400000000, 0.0032994000000000 ] - [ 0.0000000000000000, -0.0014809000000000, 0.0027054800000000 ] - [ 0.0012214800000000, -0.0018134400000000, 0.0032994000000000 ] - [ 0.0005566400000000, 0.0000179100000000, 0.0000000000000000 ] - [ -0.0005566400000000, 0.0000179100000000, 0.0000000000000000 ] - [ -0.0002116700000000, -0.0011445900000000, 0.0000000000000000 ] - [ 0.0002116700000000, -0.0011445900000000, 0.0000000000000000 ] - [ 0.0064241700000000, 0.0051233500000000, -0.0015044100000000 ] - [ -0.0064241700000000, 0.0051233500000000, -0.0015044100000000 ] - [ -0.0006171200000000, 0.0011632900000000, 0.0028062100000000 ] - [ 0.0006171200000000, 0.0011632900000000, 0.0028062100000000 ] - [ 0.0064241700000000, 0.0051233500000000, 0.0015044100000000 ] - [ -0.0064241700000000, 0.0051233500000000, 0.0015044100000000 ] - [ -0.0006171200000000, 0.0011632900000000, -0.0028062100000000 ] - [ 0.0006171200000000, 0.0011632900000000, -0.0028062100000000 ] - [ 0.0005779900000000, -0.0038729500000000, -0.0019798200000000 ] - [ -0.0005779900000000, -0.0038729500000000, -0.0019798200000000 ] - [ -0.0001750600000000, -0.0007829400000000, -0.0000259200000000 ] - [ 0.0001750600000000, -0.0007829400000000, -0.0000259200000000 ] - [ 0.0005779900000000, -0.0038729500000000, 0.0019798200000000 ] - [ -0.0005779900000000, -0.0038729500000000, 0.0019798200000000 ] - [ -0.0001750600000000, -0.0007829400000000, 0.0000259200000000 ] - [ 0.0001750600000000, -0.0007829400000000, 0.0000259200000000 ] - [ 0.0010723500000000, 0.0052306800000000, 0.0000000000000000 ] - [ -0.0010723500000000, 0.0052306800000000, 0.0000000000000000 ] - [ -0.0002269300000000, 0.0027972700000000, 0.0000000000000000 ] - [ 0.0002269300000000, 0.0027972700000000, 0.0000000000000000 ] - [ -0.0001345800000000, -0.0010394400000000, -0.0018302500000000 ] - [ 0.0001345800000000, -0.0010394400000000, -0.0018302500000000 ] - [ 0.0003372500000000, -0.0012884400000000, -0.0021737200000000 ] - [ -0.0003372500000000, -0.0012884400000000, -0.0021737200000000 ] - [ -0.0001345800000000, -0.0010394400000000, 0.0018302500000000 ] - [ 0.0001345800000000, -0.0010394400000000, 0.0018302500000000 ] - [ 0.0003372500000000, -0.0012884400000000, 0.0021737200000000 ] - [ -0.0003372500000000, -0.0012884400000000, 0.0021737200000000 ] - [ 0.0000000000000000, -0.0025916300000000, 0.0000000000000000 ] - [ -0.0001052600000000, -0.0022713900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019636700000000, 0.0000000000000000 ] - [ 0.0001052600000000, -0.0022713900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0055020700000000, 0.0064226700000000 ] - [ 0.0026369700000000, 0.0040604800000000, 0.0065003200000000 ] - [ 0.0000000000000000, 0.0015810400000000, 0.0029781200000000 ] - [ -0.0026369700000000, 0.0040604800000000, 0.0065003200000000 ] - [ 0.0000000000000000, 0.0055020700000000, -0.0064226700000000 ] - [ 0.0026369700000000, 0.0040604800000000, -0.0065003200000000 ] - [ 0.0000000000000000, 0.0015810400000000, -0.0029781200000000 ] - [ -0.0026369700000000, 0.0040604800000000, -0.0065003200000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0087808800000000, 0.0000000000000000 ] - [ -0.0019556800000000, -0.0005763000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0020193000000000, 0.0000000000000000 ] - [ 0.0019556800000000, -0.0005763000000000, 0.0000000000000000 ] - [ 0.0008258300000000, 0.0005988700000000, 0.0000000000000000 ] - [ -0.0008258300000000, 0.0005988700000000, 0.0000000000000000 ] - [ -0.0002286400000000, 0.0018226400000000, 0.0000000000000000 ] - [ 0.0002286400000000, 0.0018226400000000, 0.0000000000000000 ] - [ 0.0101657500000000, -0.0175881100000000, 0.0000000000000000 ] - [ -0.0101657500000000, -0.0175881100000000, 0.0000000000000000 ] - [ 0.0023039800000000, -0.0031602500000000, 0.0000000000000000 ] - [ -0.0023039800000000, -0.0031602500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0037962000000000, 0.0000000000000000 ] - [ -0.0002476600000000, 0.0032270000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0027390300000000, 0.0000000000000000 ] - [ 0.0002476600000000, 0.0032270000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0140841300000000, 0.0124869000000000 ] - [ -0.0029251300000000, -0.0037722400000000, -0.0007066100000000 ] - [ 0.0000000000000000, -0.0010169700000000, -0.0004159900000000 ] - [ 0.0029251300000000, -0.0037722400000000, -0.0007066100000000 ] - [ 0.0000000000000000, -0.0140841300000000, -0.0124869000000000 ] - [ -0.0029251300000000, -0.0037722400000000, 0.0007066100000000 ] - [ 0.0000000000000000, -0.0010169700000000, 0.0004159900000000 ] - [ 0.0029251300000000, -0.0037722400000000, 0.0007066100000000 ] - [ 0.0018133600000000, 0.0028522800000000, -0.0010053300000000 ] - [ -0.0018133600000000, 0.0028522800000000, -0.0010053300000000 ] - [ -0.0007284000000000, 0.0008477700000000, 0.0007829100000000 ] - [ 0.0007284000000000, 0.0008477700000000, 0.0007829100000000 ] - [ 0.0018133600000000, 0.0028522800000000, 0.0010053300000000 ] - [ -0.0018133600000000, 0.0028522800000000, 0.0010053300000000 ] - [ -0.0007284000000000, 0.0008477700000000, -0.0007829100000000 ] - [ 0.0007284000000000, 0.0008477700000000, -0.0007829100000000 ] - [ -0.0003084100000000, 0.0040053100000000, 0.0004547900000000 ] - [ 0.0003084100000000, 0.0040053100000000, 0.0004547900000000 ] - [ 0.0008718500000000, 0.0013380700000000, -0.0005486900000000 ] - [ -0.0008718500000000, 0.0013380700000000, -0.0005486900000000 ] - [ -0.0003084100000000, 0.0040053100000000, -0.0004547900000000 ] - [ 0.0003084100000000, 0.0040053100000000, -0.0004547900000000 ] - [ 0.0008718500000000, 0.0013380700000000, 0.0005486900000000 ] - [ -0.0008718500000000, 0.0013380700000000, 0.0005486900000000 ] - [ 0.0000000000000000, -0.0008392600000000, 0.0042313100000000 ] - [ 0.0003468100000000, -0.0006910900000000, 0.0024497400000000 ] - [ 0.0000000000000000, -0.0001675400000000, 0.0011322300000000 ] - [ -0.0003468100000000, -0.0006910900000000, 0.0024497400000000 ] - [ 0.0000000000000000, -0.0008392600000000, -0.0042313100000000 ] - [ 0.0003468100000000, -0.0006910900000000, -0.0024497400000000 ] - [ 0.0000000000000000, -0.0001675400000000, -0.0011322300000000 ] - [ -0.0003468100000000, -0.0006910900000000, -0.0024497400000000 ] - [ 0.0000000000000000, -0.0023845000000000, 0.0002248200000000 ] - [ 0.0005061700000000, -0.0015855900000000, 0.0003221200000000 ] - [ 0.0000000000000000, -0.0007642100000000, 0.0003543200000000 ] - [ -0.0005061700000000, -0.0015855900000000, 0.0003221200000000 ] - [ 0.0000000000000000, -0.0023845000000000, -0.0002248200000000 ] - [ 0.0005061700000000, -0.0015855900000000, -0.0003221200000000 ] - [ 0.0000000000000000, -0.0007642100000000, -0.0003543200000000 ] - [ -0.0005061700000000, -0.0015855900000000, -0.0003221200000000 ] - [ 0.0000000000000000, 0.0707086800000000, 0.0000000000000000 ] - [ -0.0008951000000000, 0.0061111700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0025821400000000, 0.0000000000000000 ] - [ 0.0008951000000000, 0.0061111700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0061258400000000, 0.0021903000000000 ] - [ 0.0012161500000000, -0.0009518400000000, -0.0021556400000000 ] - [ 0.0000000000000000, -0.0012861900000000, -0.0027506800000000 ] - [ -0.0012161500000000, -0.0009518400000000, -0.0021556400000000 ] - [ 0.0000000000000000, -0.0061258400000000, -0.0021903000000000 ] - [ 0.0012161500000000, -0.0009518400000000, 0.0021556400000000 ] - [ 0.0000000000000000, -0.0012861900000000, 0.0027506800000000 ] - [ -0.0012161500000000, -0.0009518400000000, 0.0021556400000000 ] - [ -0.0005535300000000, -0.0030344400000000, 0.0000000000000000 ] - [ 0.0005535300000000, -0.0030344400000000, 0.0000000000000000 ] - [ 0.0002109100000000, -0.0018787600000000, 0.0000000000000000 ] - [ -0.0002109100000000, -0.0018787600000000, 0.0000000000000000 ] - [ -0.0064338400000000, -0.0023457800000000, 0.0069921700000000 ] - [ 0.0064338400000000, -0.0023457800000000, 0.0069921700000000 ] - [ 0.0006141900000000, 0.0016060100000000, 0.0026527600000000 ] - [ -0.0006141900000000, 0.0016060100000000, 0.0026527600000000 ] - [ -0.0064338400000000, -0.0023457800000000, -0.0069921700000000 ] - [ 0.0064338400000000, -0.0023457800000000, -0.0069921700000000 ] - [ 0.0006141900000000, 0.0016060100000000, -0.0026527600000000 ] - [ -0.0006141900000000, 0.0016060100000000, -0.0026527600000000 ] - [ -0.0005582200000000, 0.0038482200000000, 0.0020045900000000 ] - [ 0.0005582200000000, 0.0038482200000000, 0.0020045900000000 ] - [ 0.0001727400000000, 0.0007787200000000, 0.0000241800000000 ] - [ -0.0001727400000000, 0.0007787200000000, 0.0000241800000000 ] - [ -0.0005582200000000, 0.0038482200000000, -0.0020045900000000 ] - [ 0.0005582200000000, 0.0038482200000000, -0.0020045900000000 ] - [ 0.0001727400000000, 0.0007787200000000, -0.0000241800000000 ] - [ -0.0001727400000000, 0.0007787200000000, -0.0000241800000000 ] - [ -0.0010814100000000, -0.0022011700000000, 0.0000000000000000 ] - [ 0.0010814100000000, -0.0022011700000000, 0.0000000000000000 ] - [ 0.0002282800000000, 0.0002322600000000, 0.0000000000000000 ] - [ -0.0002282800000000, 0.0002322600000000, 0.0000000000000000 ] - [ 0.0001362100000000, -0.0017342000000000, -0.0036185200000000 ] - [ -0.0001362100000000, -0.0017342000000000, -0.0036185200000000 ] - [ -0.0003378200000000, -0.0014823300000000, -0.0032781100000000 ] - [ 0.0003378200000000, -0.0014823300000000, -0.0032781100000000 ] - [ 0.0001362100000000, -0.0017342000000000, 0.0036185200000000 ] - [ -0.0001362100000000, -0.0017342000000000, 0.0036185200000000 ] - [ -0.0003378200000000, -0.0014823300000000, 0.0032781100000000 ] - [ 0.0003378200000000, -0.0014823300000000, 0.0032781100000000 ] - [ 0.0000000000000000, -0.0004428300000000, 0.0000000000000000 ] - [ 0.0001002400000000, -0.0007627700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010654400000000, 0.0000000000000000 ] - [ -0.0001002400000000, -0.0007627700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0027214200000000, -0.0009415400000000 ] - [ -0.0026201100000000, -0.0012760000000000, -0.0010087500000000 ] - [ 0.0000000000000000, 0.0011856000000000, 0.0024826700000000 ] - [ 0.0026201100000000, -0.0012760000000000, -0.0010087500000000 ] - [ 0.0000000000000000, -0.0027214200000000, 0.0009415400000000 ] - [ -0.0026201100000000, -0.0012760000000000, 0.0010087500000000 ] - [ 0.0000000000000000, 0.0011856000000000, -0.0024826700000000 ] - [ 0.0026201100000000, -0.0012760000000000, 0.0010087500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0023817200000000, 0.0058369200000000 ] - [ 0.0000017000000000, -0.0023497400000000, 0.0025181000000000 ] - [ 0.0000000000000000, -0.0023510100000000, 0.0007518400000000 ] - [ -0.0000017000000000, -0.0023497400000000, 0.0025181000000000 ] - [ 0.0000146800000000, 0.0023432600000000, -0.0054042200000000 ] - [ -0.0000146800000000, 0.0023432600000000, -0.0054042200000000 ] - [ -0.0000035500000000, 0.0023502000000000, -0.0011039200000000 ] - [ 0.0000035500000000, 0.0023502000000000, -0.0011039200000000 ] - [ 0.0000183300000000, -0.0023666100000000, 0.0089653400000000 ] - [ -0.0000183300000000, -0.0023666100000000, 0.0089653400000000 ] - [ 0.0000124200000000, -0.0023498100000000, 0.0007661800000000 ] - [ -0.0000124200000000, -0.0023498100000000, 0.0007661800000000 ] - [ 0.0000000000000000, 0.0023554800000000, -0.0014678500000000 ] - [ -0.0000025200000000, 0.0023528300000000, -0.0009833200000000 ] - [ 0.0000000000000000, 0.0023525600000000, -0.0005995100000000 ] - [ 0.0000025200000000, 0.0023528300000000, -0.0009833200000000 ] - [ 0.0000000000000000, -0.0035876500000000, 0.0460897200000000 ] - [ -0.0068770500000000, -0.0004520600000000, 0.0003474100000000 ] - [ 0.0000000000000000, -0.0003587900000000, -0.0001884700000000 ] - [ 0.0068770500000000, -0.0004520600000000, 0.0003474100000000 ] - [ 0.0000000000000000, 0.0017072300000000, 0.0441473500000000 ] - [ 0.0068550700000000, -0.0001446700000000, 0.0018894000000000 ] - [ 0.0000000000000000, -0.0002323400000000, 0.0014007900000000 ] - [ -0.0068550700000000, -0.0001446700000000, 0.0018894000000000 ] - [ 0.0037984800000000, 0.0048551600000000, -0.0026379400000000 ] - [ -0.0037984800000000, 0.0048551600000000, -0.0026379400000000 ] - [ -0.0008809000000000, 0.0007893800000000, 0.0000673600000000 ] - [ 0.0008809000000000, 0.0007893800000000, 0.0000673600000000 ] - [ -0.0037561700000000, -0.0042348900000000, -0.0042595100000000 ] - [ 0.0037561700000000, -0.0042348900000000, -0.0042595100000000 ] - [ 0.0008716200000000, -0.0002011700000000, -0.0015392500000000 ] - [ -0.0008716200000000, -0.0002011700000000, -0.0015392500000000 ] - [ 0.0009748200000000, -0.0002755100000000, 0.0002760700000000 ] - [ -0.0009748200000000, -0.0002755100000000, 0.0002760700000000 ] - [ -0.0002974900000000, -0.0001706600000000, -0.0002126900000000 ] - [ 0.0002974900000000, -0.0001706600000000, -0.0002126900000000 ] - [ -0.0009699700000000, -0.0002808300000000, 0.0018450500000000 ] - [ 0.0009699700000000, -0.0002808300000000, 0.0018450500000000 ] - [ 0.0003068900000000, -0.0003980500000000, 0.0013792500000000 ] - [ -0.0003068900000000, -0.0003980500000000, 0.0013792500000000 ] - [ 0.0000000000000000, -0.0044807100000000, -0.0039721300000000 ] - [ -0.0028485800000000, -0.0019468200000000, -0.0008719400000000 ] - [ 0.0000000000000000, 0.0000998300000000, 0.0002612800000000 ] - [ 0.0028485800000000, -0.0019468200000000, -0.0008719400000000 ] - [ 0.0000000000000000, 0.0050084400000000, -0.0055803600000000 ] - [ 0.0028271500000000, 0.0025036300000000, -0.0024945800000000 ] - [ 0.0000000000000000, 0.0004799000000000, -0.0013475700000000 ] - [ -0.0028271500000000, 0.0025036300000000, -0.0024945800000000 ] - [ 0.0000000000000000, 0.0014391300000000, -0.0002348400000000 ] - [ -0.0011159100000000, 0.0008536300000000, -0.0001334300000000 ] - [ 0.0000000000000000, 0.0001878800000000, -0.0000864300000000 ] - [ 0.0011159100000000, 0.0008536300000000, -0.0001334300000000 ] - [ 0.0000000000000000, -0.0014583000000000, -0.0002501000000000 ] - [ 0.0011229000000000, -0.0008674700000000, -0.0001421900000000 ] - [ 0.0000000000000000, -0.0001932800000000, -0.0000910300000000 ] - [ -0.0011229000000000, -0.0008674700000000, -0.0001421900000000 ] - [ 0.0000000000000000, 0.0030336200000000, -0.1463301800000000 ] - [ -0.0000388800000000, 0.0015235100000000, -0.0046042000000000 ] - [ 0.0000000000000000, 0.0015166200000000, -0.0009328500000000 ] - [ 0.0000388800000000, 0.0015235100000000, -0.0046042000000000 ] - [ 0.0000000000000000, -0.0142162000000000, 0.0143567400000000 ] - [ 0.0015110100000000, -0.0012865300000000, -0.0013163600000000 ] - [ 0.0000000000000000, -0.0012025100000000, -0.0023452900000000 ] - [ -0.0015110100000000, -0.0012865300000000, -0.0013163600000000 ] - [ 0.0000000000000000, 0.0112804100000000, 0.0196074100000000 ] - [ -0.0014964600000000, -0.0014826100000000, 0.0041503700000000 ] - [ 0.0000000000000000, -0.0015644300000000, 0.0031158000000000 ] - [ 0.0014964600000000, -0.0014826100000000, 0.0041503700000000 ] - [ -0.0000058700000000, -0.0015205700000000, 0.0045786000000000 ] - [ 0.0000058700000000, -0.0015205700000000, 0.0045786000000000 ] - [ 0.0000015700000000, -0.0015112900000000, 0.0009629300000000 ] - [ -0.0000015700000000, -0.0015112900000000, 0.0009629300000000 ] - [ -0.0088333100000000, -0.0069788100000000, 0.0024829300000000 ] - [ 0.0088333100000000, -0.0069788100000000, 0.0024829300000000 ] - [ 0.0010369500000000, 0.0006416100000000, 0.0022419100000000 ] - [ -0.0010369500000000, 0.0006416100000000, 0.0022419100000000 ] - [ 0.0087815900000000, 0.0097164600000000, -0.0028946600000000 ] - [ -0.0087815900000000, 0.0097164600000000, -0.0028946600000000 ] - [ -0.0010329100000000, 0.0021283300000000, -0.0032094900000000 ] - [ 0.0010329100000000, 0.0021283300000000, -0.0032094900000000 ] - [ 0.0076339200000000, -0.0048137100000000, 0.0059356200000000 ] - [ -0.0076339200000000, -0.0048137100000000, 0.0059356200000000 ] - [ -0.0011617800000000, -0.0003742200000000, 0.0001454900000000 ] - [ 0.0011617800000000, -0.0003742200000000, 0.0001454900000000 ] - [ -0.0077217900000000, 0.0048674600000000, 0.0059619300000000 ] - [ 0.0077217900000000, 0.0048674600000000, 0.0059619300000000 ] - [ 0.0011676900000000, 0.0003757000000000, 0.0001372800000000 ] - [ -0.0011676900000000, 0.0003757000000000, 0.0001372800000000 ] - [ 0.0000043400000000, 0.0015043200000000, -0.0014152700000000 ] - [ -0.0000043400000000, 0.0015043200000000, -0.0014152700000000 ] - [ -0.0000001900000000, 0.0015069200000000, -0.0005773700000000 ] - [ 0.0000001900000000, 0.0015069200000000, -0.0005773700000000 ] - [ -0.0006133600000000, -0.0001126600000000, -0.0020256000000000 ] - [ 0.0006133600000000, -0.0001126600000000, -0.0020256000000000 ] - [ 0.0006103400000000, -0.0007536500000000, -0.0024713000000000 ] - [ -0.0006103400000000, -0.0007536500000000, -0.0024713000000000 ] - [ 0.0006098000000000, -0.0026464800000000, 0.0034421000000000 ] - [ -0.0006098000000000, -0.0026464800000000, 0.0034421000000000 ] - [ -0.0006069700000000, -0.0020110900000000, 0.0029939100000000 ] - [ 0.0006069700000000, -0.0020110900000000, 0.0029939100000000 ] - [ 0.0000000000000000, -0.0015022300000000, 0.0038328300000000 ] - [ 0.0000060000000000, -0.0015051600000000, 0.0023078000000000 ] - [ 0.0000000000000000, -0.0015093900000000, 0.0007733900000000 ] - [ -0.0000060000000000, -0.0015051600000000, 0.0023078000000000 ] - [ 0.0000000000000000, 0.0032370900000000, 0.0020521900000000 ] - [ -0.0000270300000000, 0.0011896900000000, 0.0014338100000000 ] - [ 0.0000000000000000, 0.0012703500000000, 0.0024517500000000 ] - [ 0.0000270300000000, 0.0011896900000000, 0.0014338100000000 ] - [ 0.0000000000000000, -0.0004801000000000, -0.0033629100000000 ] - [ 0.0000058200000000, 0.0015614000000000, -0.0039767700000000 ] - [ 0.0000000000000000, 0.0014932900000000, -0.0029981700000000 ] - [ -0.0000058200000000, 0.0015614000000000, -0.0039767700000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0034103700000000, -0.0023561800000000, -0.0000052300000000 ] - [ -0.0007226300000000, -0.0015085200000000, 0.0017005300000000 ] - [ -0.0017961300000000, -0.0023510900000000, 0.0000029600000000 ] - [ -0.0007287400000000, -0.0031974800000000, -0.0016929100000000 ] - [ 0.0061528100000000, 0.0036609800000000, -0.0002351800000000 ] - [ 0.0063142700000000, 0.0011809700000000, 0.0003950100000000 ] - [ -0.0029219900000000, 0.0016522600000000, -0.0008573000000000 ] - [ -0.0029206200000000, 0.0030384300000000, 0.0008486500000000 ] - [ 0.0008768300000000, -0.0018049900000000, -0.0004342300000000 ] - [ 0.0008925700000000, -0.0028774600000000, 0.0004314800000000 ] - [ -0.0008796800000000, -0.0025686300000000, 0.0002046400000000 ] - [ -0.0008836200000000, -0.0021317000000000, -0.0002039000000000 ] - [ 0.0033554700000000, 0.0023517500000000, -0.0000011700000000 ] - [ -0.0007147500000000, 0.0040332000000000, -0.0009149200000000 ] - [ -0.0017647400000000, 0.0023538800000000, -0.0000019200000000 ] - [ -0.0007132200000000, 0.0006802300000000, 0.0009060500000000 ] - [ 0.0181617700000000, -0.0002916200000000, -0.0008508300000000 ] - [ -0.0044426900000000, -0.0042055500000000, 0.0025865200000000 ] - [ -0.0034652600000000, -0.0002988400000000, -0.0007970800000000 ] - [ -0.0044704000000000, 0.0036014900000000, -0.0041595100000000 ] - [ 0.0028490600000000, -0.0003005500000000, 0.0007876900000000 ] - [ -0.0004994200000000, -0.0004960900000000, 0.0005730500000000 ] - [ -0.0018539000000000, -0.0002959800000000, 0.0008027600000000 ] - [ -0.0005099900000000, -0.0000989100000000, 0.0010204200000000 ] - [ 0.0242059100000000, 0.0087710000000000, 0.0046748000000000 ] - [ 0.0255875300000000, -0.0095679600000000, -0.0033850900000000 ] - [ -0.0070055200000000, 0.0009103300000000, 0.0005317800000000 ] - [ -0.0069764100000000, -0.0003194800000000, 0.0010718700000000 ] - [ 0.0020509900000000, 0.0008399900000000, 0.0030632800000000 ] - [ 0.0020737500000000, -0.0002646700000000, -0.0046712300000000 ] - [ -0.0020935800000000, 0.0005100700000000, -0.0015649000000000 ] - [ -0.0020909100000000, 0.0000800200000000, -0.0000428600000000 ] - [ 0.0032329900000000, -0.0024286100000000, -0.0019385000000000 ] - [ 0.0032475000000000, 0.0018612400000000, 0.0003476500000000 ] - [ -0.0033743200000000, 0.0014375100000000, -0.0000570500000000 ] - [ -0.0033741100000000, -0.0020140600000000, -0.0015347700000000 ] - [ 0.0011159900000000, -0.0005916300000000, 0.0008391000000000 ] - [ 0.0011158300000000, 0.0000082200000000, 0.0007593600000000 ] - [ -0.0011171100000000, 0.0000355800000000, 0.0009437700000000 ] - [ -0.0011246600000000, -0.0006171300000000, 0.0006627900000000 ] - [ 0.0041805300000000, 0.0003109700000000, 0.0008032400000000 ] - [ -0.0008301800000000, -0.0012519000000000, 0.0013743600000000 ] - [ -0.0026099400000000, 0.0002979400000000, 0.0008009300000000 ] - [ -0.0008502200000000, 0.0018530300000000, 0.0002329200000000 ] - [ 0.0023225300000000, 0.0002989100000000, -0.0008031800000000 ] - [ -0.0003042200000000, -0.0006258700000000, -0.0020851400000000 ] - [ -0.0017127900000000, 0.0002912900000000, -0.0008014900000000 ] - [ -0.0003021500000000, 0.0012120000000000, 0.0004766600000000 ] - [ -0.0017961500000000, 0.0000014700000000, 0.0000009200000000 ] - [ 0.0002644300000000, -0.0004294300000000, 0.0003847700000000 ] - [ 0.0013155000000000, -0.0000005300000000, 0.0000001100000000 ] - [ 0.0002680200000000, 0.0004281500000000, -0.0003833400000000 ] - [ -0.0093873300000000, 0.0000259000000000, 0.0000046400000000 ] - [ 0.0092679800000000, -0.0077130900000000, -0.0044754000000000 ] - [ 0.0037741900000000, -0.0000026500000000, -0.0000021300000000 ] - [ 0.0091838900000000, 0.0076623600000000, 0.0044355900000000 ] - [ -0.0006710400000000, 0.0014845100000000, 0.0000840400000000 ] - [ 0.0004180400000000, 0.0027319000000000, -0.0015038900000000 ] - [ 0.0009511900000000, 0.0015140300000000, -0.0000008600000000 ] - [ 0.0004272900000000, 0.0002940100000000, 0.0015032800000000 ] - [ -0.1060327900000000, -0.0001205200000000, -0.0025023800000000 ] - [ 0.0094227400000000, 0.0007217100000000, -0.0026438200000000 ] - [ 0.0036034200000000, -0.0013803900000000, -0.0027299300000000 ] - [ 0.0093333000000000, -0.0034662900000000, -0.0028119200000000 ] - [ -0.0044659300000000, -0.0013793400000000, 0.0027182200000000 ] - [ 0.0012952000000000, -0.0022681100000000, 0.0043186100000000 ] - [ 0.0017354400000000, -0.0013832100000000, 0.0027303400000000 ] - [ 0.0013014700000000, -0.0004975200000000, 0.0011424200000000 ] - [ -0.0000245100000000, 0.0049112000000000, -0.0087846300000000 ] - [ -0.0000534600000000, -0.0079460600000000, 0.0088303800000000 ] - [ 0.0015143500000000, -0.0021287900000000, 0.0010394900000000 ] - [ 0.0015130700000000, -0.0008976100000000, -0.0010302400000000 ] - [ 0.0043547400000000, 0.0007497100000000, 0.0175398900000000 ] - [ 0.0042908200000000, 0.0020355300000000, -0.0121886000000000 ] - [ 0.0027066700000000, 0.0015647500000000, 0.0018057400000000 ] - [ 0.0027092700000000, 0.0012084600000000, 0.0036432000000000 ] - [ -0.0012740300000000, 0.0008555600000000, -0.0027802600000000 ] - [ -0.0012868900000000, 0.0019199100000000, -0.0026756800000000 ] - [ 0.0012582100000000, 0.0016388700000000, -0.0027042600000000 ] - [ 0.0012608600000000, 0.0011318900000000, -0.0027530300000000 ] - [ -0.0010405900000000, -0.0005894200000000, -0.0012772300000000 ] - [ -0.0010499100000000, 0.0005875700000000, 0.0012884900000000 ] - [ 0.0009634300000000, 0.0001587400000000, 0.0001872700000000 ] - [ 0.0009661500000000, -0.0001579700000000, -0.0001857900000000 ] - [ -0.0009287500000000, -0.0037704400000000, 0.0019470000000000 ] - [ -0.0009703400000000, 0.0037550200000000, -0.0019572300000000 ] - [ 0.0020665800000000, 0.0007589200000000, -0.0000929800000000 ] - [ 0.0020729300000000, -0.0007573000000000, 0.0000897400000000 ] - [ -0.0010079300000000, 0.0016471200000000, 0.0006092400000000 ] - [ -0.0010117100000000, 0.0013752300000000, -0.0006133800000000 ] - [ 0.0010865600000000, 0.0011732100000000, -0.0006111400000000 ] - [ 0.0010874800000000, 0.0018492800000000, 0.0006049800000000 ] - [ -0.0015208500000000, -0.0011628800000000, -0.0028686500000000 ] - [ -0.0015269400000000, -0.0016139100000000, -0.0025906700000000 ] - [ 0.0015947500000000, -0.0017852000000000, -0.0028192600000000 ] - [ 0.0015990200000000, -0.0009902500000000, -0.0026372100000000 ] - [ -0.0010770800000000, -0.0012070700000000, 0.0025820600000000 ] - [ -0.0010795800000000, -0.0015643100000000, 0.0028776700000000 ] - [ 0.0010982000000000, -0.0015262800000000, 0.0030514300000000 ] - [ 0.0011008400000000, -0.0012438600000000, 0.0024072900000000 ] - [ -0.0039331400000000, -0.0015139100000000, -0.0000066100000000 ] - [ 0.0020525500000000, 0.0011142900000000, -0.0000156200000000 ] - [ 0.0015698800000000, -0.0015097300000000, 0.0000006400000000 ] - [ 0.0020574500000000, -0.0041426100000000, 0.0000162400000000 ] - [ -0.0020912100000000, 0.0013785500000000, 0.0027285600000000 ] - [ 0.0000254400000000, 0.0012680900000000, 0.0022268100000000 ] - [ 0.0025936800000000, 0.0013800300000000, 0.0027281100000000 ] - [ 0.0000344300000000, 0.0014882700000000, 0.0032275400000000 ] - [ -0.0011693100000000, 0.0013806200000000, -0.0027276000000000 ] - [ 0.0000350100000000, 0.0016587300000000, -0.0025933300000000 ] - [ 0.0010923700000000, 0.0013835700000000, -0.0027291900000000 ] - [ 0.0000398300000000, 0.0011051400000000, -0.0028623400000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0007048000000000, -0.0018862800000000 ] - [ 0.0001737900000000, -0.0016028600000000, -0.0009408700000000 ] - [ 0.0000000000000000, -0.0020207300000000, -0.0003170200000000 ] - [ -0.0001737900000000, -0.0016028600000000, -0.0009408700000000 ] - [ -0.0002830100000000, 0.0070180700000000, 0.0003910300000000 ] - [ 0.0002830100000000, 0.0070180700000000, 0.0003910300000000 ] - [ -0.0012048500000000, 0.0031653100000000, 0.0004859800000000 ] - [ 0.0012048500000000, 0.0031653100000000, 0.0004859800000000 ] - [ 0.0011280300000000, -0.0044483900000000, 0.0003744100000000 ] - [ -0.0011280300000000, -0.0044483900000000, 0.0003744100000000 ] - [ -0.0004170400000000, -0.0027665600000000, -0.0001503900000000 ] - [ 0.0004170400000000, -0.0027665600000000, -0.0001503900000000 ] - [ 0.0000000000000000, -0.0022681700000000, 0.0016141700000000 ] - [ 0.0009932300000000, 0.0002631300000000, 0.0007390100000000 ] - [ 0.0000000000000000, 0.0018709900000000, 0.0002623800000000 ] - [ -0.0009932300000000, 0.0002631300000000, 0.0007390100000000 ] - [ 0.0000000000000000, 0.0173537400000000, -0.0015086700000000 ] - [ -0.0024497300000000, 0.0027789700000000, -0.0006541100000000 ] - [ 0.0000000000000000, 0.0003380600000000, -0.0010267500000000 ] - [ 0.0024497300000000, 0.0027789700000000, -0.0006541100000000 ] - [ 0.0000000000000000, 0.0021678400000000, 0.0025636600000000 ] - [ -0.0009073800000000, 0.0003832500000000, 0.0002950900000000 ] - [ 0.0000000000000000, -0.0000585500000000, 0.0006812000000000 ] - [ 0.0009073800000000, 0.0003832500000000, 0.0002950900000000 ] - [ 0.0071698600000000, 0.0257780700000000, 0.0028899800000000 ] - [ -0.0071698600000000, 0.0257780700000000, 0.0028899800000000 ] - [ 0.0020836300000000, 0.0015972900000000, 0.0011023900000000 ] - [ -0.0020836300000000, 0.0015972900000000, 0.0011023900000000 ] - [ -0.0001617300000000, 0.0038976000000000, 0.0025770400000000 ] - [ 0.0001617300000000, 0.0038976000000000, 0.0025770400000000 ] - [ -0.0001545100000000, 0.0012297700000000, -0.0002602400000000 ] - [ 0.0001545100000000, 0.0012297700000000, -0.0002602400000000 ] - [ -0.0017328900000000, -0.0057195400000000, -0.0029519000000000 ] - [ 0.0017328900000000, -0.0057195400000000, -0.0029519000000000 ] - [ 0.0012139800000000, -0.0019637100000000, -0.0013521100000000 ] - [ -0.0012139800000000, -0.0019637100000000, -0.0013521100000000 ] - [ 0.0000755700000000, -0.0015267700000000, 0.0006436100000000 ] - [ -0.0000755700000000, -0.0015267700000000, 0.0006436100000000 ] - [ -0.0000139000000000, -0.0007712700000000, 0.0005671900000000 ] - [ 0.0000139000000000, -0.0007712700000000, 0.0005671900000000 ] - [ 0.0000000000000000, -0.0075531700000000, 0.0019064000000000 ] - [ -0.0024320300000000, -0.0029169400000000, 0.0012435500000000 ] - [ 0.0000000000000000, -0.0003420100000000, 0.0012231200000000 ] - [ 0.0024320300000000, -0.0029169400000000, 0.0012435500000000 ] - [ 0.0000000000000000, -0.0024132500000000, -0.0021419800000000 ] - [ -0.0008277900000000, -0.0012615200000000, -0.0016383800000000 ] - [ 0.0000000000000000, -0.0001272300000000, -0.0008812200000000 ] - [ 0.0008277900000000, -0.0012615200000000, -0.0016383800000000 ] - [ 0.0000000000000000, 0.0000612200000000, -0.0006458000000000 ] - [ -0.0002396500000000, -0.0000357300000000, -0.0003595200000000 ] - [ 0.0000000000000000, -0.0001277100000000, 0.0000364600000000 ] - [ 0.0002396500000000, -0.0000357300000000, -0.0003595200000000 ] - [ 0.0000000000000000, 0.0124278900000000, 0.0062737200000000 ] - [ -0.0065425800000000, 0.0056918000000000, 0.0035100500000000 ] - [ 0.0000000000000000, 0.0000644700000000, 0.0000481700000000 ] - [ 0.0065425800000000, 0.0056918000000000, 0.0035100500000000 ] - [ 0.0000000000000000, 0.0062844600000000, -0.0127535500000000 ] - [ 0.0006839000000000, 0.0010780000000000, 0.0000989500000000 ] - [ 0.0000000000000000, 0.0014157400000000, 0.0001819700000000 ] - [ -0.0006839000000000, 0.0010780000000000, 0.0000989500000000 ] - [ 0.0000000000000000, -0.0916407400000000, 0.0014346800000000 ] - [ -0.0020991700000000, -0.0076259000000000, -0.0039243100000000 ] - [ 0.0000000000000000, -0.0023157800000000, -0.0029301800000000 ] - [ 0.0020991700000000, -0.0076259000000000, -0.0039243100000000 ] - [ 0.0000000000000000, -0.0049480400000000, 0.0035244200000000 ] - [ 0.0008844700000000, -0.0037459600000000, 0.0036334300000000 ] - [ 0.0000000000000000, -0.0016606000000000, 0.0026917600000000 ] - [ -0.0008844700000000, -0.0037459600000000, 0.0036334300000000 ] - [ 0.0035428400000000, 0.0022261700000000, -0.0083302100000000 ] - [ -0.0035428400000000, 0.0022261700000000, -0.0083302100000000 ] - [ -0.0005245700000000, -0.0017323100000000, -0.0007436600000000 ] - [ 0.0005245700000000, -0.0017323100000000, -0.0007436600000000 ] - [ -0.0005993500000000, -0.0068619900000000, 0.0055567100000000 ] - [ 0.0005993500000000, -0.0068619900000000, 0.0055567100000000 ] - [ 0.0001760600000000, 0.0005394700000000, 0.0030639300000000 ] - [ -0.0001760600000000, 0.0005394700000000, 0.0030639300000000 ] - [ -0.0005295900000000, -0.0001853500000000, -0.0029302500000000 ] - [ 0.0005295900000000, -0.0001853500000000, -0.0029302500000000 ] - [ 0.0002528200000000, 0.0008996200000000, -0.0025380500000000 ] - [ -0.0002528200000000, 0.0008996200000000, -0.0025380500000000 ] - [ -0.0005926300000000, 0.0004683400000000, 0.0007685600000000 ] - [ 0.0005926300000000, 0.0004683400000000, 0.0007685600000000 ] - [ 0.0003829100000000, 0.0000380900000000, 0.0000954500000000 ] - [ -0.0003829100000000, 0.0000380900000000, 0.0000954500000000 ] - [ -0.0059873400000000, 0.0051834600000000, -0.0027162500000000 ] - [ 0.0059873400000000, 0.0051834600000000, -0.0027162500000000 ] - [ 0.0005849400000000, -0.0002014300000000, -0.0000874700000000 ] - [ -0.0005849400000000, -0.0002014300000000, -0.0000874700000000 ] - [ 0.0001434600000000, 0.0018639500000000, 0.0012625100000000 ] - [ -0.0001434600000000, 0.0018639500000000, 0.0012625100000000 ] - [ -0.0001518300000000, 0.0016117200000000, 0.0006275400000000 ] - [ 0.0001518300000000, 0.0016117200000000, 0.0006275400000000 ] - [ -0.0002271100000000, 0.0015353500000000, -0.0027619600000000 ] - [ 0.0002271100000000, 0.0015353500000000, -0.0027619600000000 ] - [ 0.0003987500000000, -0.0000622800000000, -0.0028198900000000 ] - [ -0.0003987500000000, -0.0000622800000000, -0.0028198900000000 ] - [ -0.0001797500000000, 0.0001992400000000, 0.0023964700000000 ] - [ 0.0001797500000000, 0.0001992400000000, 0.0023964700000000 ] - [ 0.0001409800000000, -0.0006482300000000, 0.0025187100000000 ] - [ -0.0001409800000000, -0.0006482300000000, 0.0025187100000000 ] - [ 0.0000000000000000, 0.0026057100000000, 0.0018727400000000 ] - [ 0.0020527200000000, 0.0011513200000000, -0.0001817700000000 ] - [ 0.0000000000000000, -0.0013138300000000, -0.0001107100000000 ] - [ -0.0020527200000000, 0.0011513200000000, -0.0001817700000000 ] - [ 0.0000000000000000, 0.0050258200000000, 0.0029753700000000 ] - [ -0.0001069600000000, 0.0038543400000000, 0.0028831100000000 ] - [ 0.0000000000000000, 0.0024509000000000, 0.0028044600000000 ] - [ 0.0001069600000000, 0.0038543400000000, 0.0028831100000000 ] - [ 0.0000000000000000, 0.0028194500000000, -0.0026032700000000 ] - [ 0.0002774300000000, 0.0021172600000000, -0.0026985600000000 ] - [ 0.0000000000000000, 0.0016225800000000, -0.0026588100000000 ] - [ -0.0002774300000000, 0.0021172600000000, -0.0026985600000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0040117300000000, 0.0018822200000000 ] - [ -0.0001692000000000, -0.0031087600000000, 0.0009420500000000 ] - [ 0.0000000000000000, -0.0026823600000000, 0.0003189600000000 ] - [ 0.0001692000000000, -0.0031087600000000, 0.0009420500000000 ] - [ 0.0001529900000000, -0.0022095000000000, -0.0002956300000000 ] - [ -0.0001529900000000, -0.0022095000000000, -0.0002956300000000 ] - [ 0.0012037400000000, 0.0015376200000000, -0.0004848700000000 ] - [ -0.0012037400000000, 0.0015376200000000, -0.0004848700000000 ] - [ -0.0011289000000000, -0.0002492100000000, -0.0003678200000000 ] - [ 0.0011289000000000, -0.0002492100000000, -0.0003678200000000 ] - [ 0.0004147900000000, -0.0019349500000000, 0.0001517000000000 ] - [ -0.0004147900000000, -0.0019349500000000, 0.0001517000000000 ] - [ 0.0000000000000000, 0.0069751900000000, -0.0016286200000000 ] - [ -0.0009978500000000, 0.0044418700000000, -0.0007431700000000 ] - [ 0.0000000000000000, 0.0028329700000000, -0.0002630600000000 ] - [ 0.0009978500000000, 0.0044418700000000, -0.0007431700000000 ] - [ 0.0000000000000000, -0.0176218600000000, -0.0008183600000000 ] - [ 0.0024658100000000, -0.0033314000000000, -0.0009402800000000 ] - [ 0.0000000000000000, -0.0009208800000000, -0.0005734200000000 ] - [ -0.0024658100000000, -0.0033314000000000, -0.0009402800000000 ] - [ 0.0000000000000000, -0.0027434000000000, -0.0009551000000000 ] - [ 0.0009100800000000, -0.0009685900000000, 0.0013013100000000 ] - [ 0.0000000000000000, -0.0005268000000000, 0.0009230600000000 ] - [ -0.0009100800000000, -0.0009685900000000, 0.0013013100000000 ] - [ -0.0082551300000000, -0.0259426800000000, -0.0015189000000000 ] - [ 0.0082551300000000, -0.0259426800000000, -0.0015189000000000 ] - [ -0.0020875800000000, -0.0010173900000000, 0.0005022300000000 ] - [ 0.0020875800000000, -0.0010173900000000, 0.0005022300000000 ] - [ 0.0001431600000000, -0.0033243600000000, -0.0041794500000000 ] - [ -0.0001431600000000, -0.0033243600000000, -0.0041794500000000 ] - [ 0.0001496100000000, -0.0006426600000000, -0.0013430900000000 ] - [ -0.0001496100000000, -0.0006426600000000, -0.0013430900000000 ] - [ 0.0017548800000000, 0.0051539000000000, 0.0013662100000000 ] - [ -0.0017548800000000, 0.0051539000000000, 0.0013662100000000 ] - [ -0.0012167200000000, 0.0013763700000000, -0.0002441200000000 ] - [ 0.0012167200000000, 0.0013763700000000, -0.0002441200000000 ] - [ -0.0000721000000000, 0.0009412400000000, 0.0009574200000000 ] - [ 0.0000721000000000, 0.0009412400000000, 0.0009574200000000 ] - [ 0.0000169900000000, 0.0001890600000000, 0.0010361600000000 ] - [ -0.0000169900000000, 0.0001890600000000, 0.0010361600000000 ] - [ 0.0000000000000000, 0.0081006200000000, -0.0003009400000000 ] - [ 0.0024224600000000, 0.0035019900000000, 0.0003519500000000 ] - [ 0.0000000000000000, 0.0009334900000000, 0.0003785800000000 ] - [ -0.0024224600000000, 0.0035019900000000, 0.0003519500000000 ] - [ 0.0000000000000000, 0.0029993500000000, 0.0005295700000000 ] - [ 0.0008206000000000, 0.0018447500000000, 0.0000324100000000 ] - [ 0.0000000000000000, 0.0007080200000000, -0.0007199100000000 ] - [ -0.0008206000000000, 0.0018447500000000, 0.0000324100000000 ] - [ 0.0000000000000000, -0.0000557000000000, 0.0006465500000000 ] - [ 0.0002392400000000, 0.0000368000000000, 0.0003607600000000 ] - [ 0.0000000000000000, 0.0001284700000000, -0.0000369100000000 ] - [ -0.0002392400000000, 0.0000368000000000, 0.0003607600000000 ] - [ 0.0000000000000000, -0.0125619900000000, -0.0063546800000000 ] - [ 0.0065621300000000, -0.0057104300000000, -0.0035196100000000 ] - [ 0.0000000000000000, -0.0000573300000000, -0.0000461700000000 ] - [ -0.0065621300000000, -0.0057104300000000, -0.0035196100000000 ] - [ 0.0000000000000000, -0.0032386200000000, 0.0127414800000000 ] - [ -0.0006853500000000, 0.0019387800000000, -0.0000968300000000 ] - [ 0.0000000000000000, 0.0016088800000000, -0.0001813300000000 ] - [ 0.0006853500000000, 0.0019387800000000, -0.0000968300000000 ] - [ 0.0000000000000000, 0.0898042300000000, -0.0059989200000000 ] - [ 0.0020886800000000, 0.0048880800000000, -0.0015282400000000 ] - [ 0.0000000000000000, -0.0004523700000000, -0.0025293200000000 ] - [ -0.0020886800000000, 0.0048880800000000, -0.0015282400000000 ] - [ 0.0000000000000000, 0.0021869200000000, 0.0019018500000000 ] - [ -0.0008857600000000, 0.0009727900000000, 0.0018273200000000 ] - [ 0.0000000000000000, -0.0011049900000000, 0.0027654600000000 ] - [ 0.0008857600000000, 0.0009727900000000, 0.0018273200000000 ] - [ -0.0035578500000000, -0.0052421400000000, 0.0083653400000000 ] - [ 0.0035578500000000, -0.0052421400000000, 0.0083653400000000 ] - [ 0.0005258600000000, -0.0012890000000000, 0.0007424000000000 ] - [ -0.0005258600000000, -0.0012890000000000, 0.0007424000000000 ] - [ 0.0006868900000000, 0.0096406300000000, -0.0000146000000000 ] - [ -0.0006868900000000, 0.0096406300000000, -0.0000146000000000 ] - [ -0.0001796500000000, 0.0022272000000000, 0.0023927500000000 ] - [ 0.0001796500000000, 0.0022272000000000, 0.0023927500000000 ] - [ 0.0005347000000000, 0.0029527900000000, -0.0025243700000000 ] - [ -0.0005347000000000, 0.0029527900000000, -0.0025243700000000 ] - [ -0.0002534800000000, 0.0018676200000000, -0.0029177100000000 ] - [ 0.0002534800000000, 0.0018676200000000, -0.0029177100000000 ] - [ 0.0005936300000000, -0.0004722400000000, -0.0007678400000000 ] - [ -0.0005936300000000, -0.0004722400000000, -0.0007678400000000 ] - [ -0.0003827400000000, -0.0000383000000000, -0.0000951100000000 ] - [ 0.0003827400000000, -0.0000383000000000, -0.0000951100000000 ] - [ 0.0059347300000000, -0.0051543700000000, 0.0026816300000000 ] - [ -0.0059347300000000, -0.0051543700000000, 0.0026816300000000 ] - [ -0.0005845600000000, 0.0001968500000000, 0.0000854000000000 ] - [ 0.0005845600000000, 0.0001968500000000, 0.0000854000000000 ] - [ -0.0001450100000000, 0.0011678700000000, -0.0012709200000000 ] - [ 0.0001450100000000, 0.0011678700000000, -0.0012709200000000 ] - [ 0.0001506600000000, 0.0014164300000000, -0.0006298200000000 ] - [ -0.0001506600000000, 0.0014164300000000, -0.0006298200000000 ] - [ 0.0002230500000000, -0.0043017400000000, -0.0026914700000000 ] - [ -0.0002230500000000, -0.0043017400000000, -0.0026914700000000 ] - [ -0.0003954600000000, -0.0027042300000000, -0.0026356800000000 ] - [ 0.0003954600000000, -0.0027042300000000, -0.0026356800000000 ] - [ 0.0001770900000000, -0.0029658200000000, 0.0030618300000000 ] - [ -0.0001770900000000, -0.0029658200000000, 0.0030618300000000 ] - [ -0.0001411200000000, -0.0021189300000000, 0.0029375800000000 ] - [ 0.0001411200000000, -0.0021189300000000, 0.0029375800000000 ] - [ 0.0000000000000000, -0.0056177400000000, -0.0018452700000000 ] - [ -0.0020588500000000, -0.0041845800000000, 0.0001897900000000 ] - [ 0.0000000000000000, -0.0017090500000000, 0.0001120600000000 ] - [ 0.0020588500000000, -0.0041845800000000, 0.0001897900000000 ] - [ 0.0000000000000000, -0.0022671100000000, 0.0024760300000000 ] - [ 0.0001126900000000, -0.0010905000000000, 0.0025703700000000 ] - [ 0.0000000000000000, 0.0003142700000000, 0.0026515000000000 ] - [ -0.0001126900000000, -0.0010905000000000, 0.0025703700000000 ] - [ 0.0000000000000000, -0.0000484100000000, -0.0028530400000000 ] - [ -0.0002762300000000, 0.0006500900000000, -0.0027585900000000 ] - [ 0.0000000000000000, 0.0011459500000000, -0.0027992100000000 ] - [ 0.0002762300000000, 0.0006500900000000, -0.0027585900000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0048951700000000, -0.0033036500000000 ] - [ 0.0012958000000000, -0.0034812200000000, -0.0013483500000000 ] - [ 0.0000000000000000, -0.0024141200000000, -0.0003416700000000 ] - [ -0.0012958000000000, -0.0034812200000000, -0.0013483500000000 ] - [ -0.0010398900000000, 0.0015539000000000, 0.0068563800000000 ] - [ 0.0010398900000000, 0.0015539000000000, 0.0068563800000000 ] - [ -0.0014363400000000, 0.0026431300000000, 0.0005295400000000 ] - [ 0.0014363400000000, 0.0026431300000000, 0.0005295400000000 ] - [ -0.0010880800000000, -0.0007675000000000, -0.0007340700000000 ] - [ 0.0010880800000000, -0.0007675000000000, -0.0007340700000000 ] - [ 0.0002879500000000, -0.0021552400000000, -0.0003141700000000 ] - [ -0.0002879500000000, -0.0021552400000000, -0.0003141700000000 ] - [ 0.0000000000000000, 0.0037373700000000, 0.0007361500000000 ] - [ -0.0004084600000000, 0.0025309500000000, 0.0004542900000000 ] - [ 0.0000000000000000, 0.0022941200000000, 0.0002275500000000 ] - [ 0.0004084600000000, 0.0025309500000000, 0.0004542900000000 ] - [ 0.0000000000000000, -0.0063594300000000, 0.0173794600000000 ] - [ 0.0047348400000000, 0.0021167300000000, 0.0008631900000000 ] - [ 0.0000000000000000, -0.0001016400000000, -0.0005082900000000 ] - [ -0.0047348400000000, 0.0021167300000000, 0.0008631900000000 ] - [ 0.0000000000000000, -0.0024442600000000, -0.0064294100000000 ] - [ 0.0000097300000000, -0.0005146900000000, -0.0017336300000000 ] - [ 0.0000000000000000, -0.0002606000000000, 0.0000289200000000 ] - [ -0.0000097300000000, -0.0005146900000000, -0.0017336300000000 ] - [ 0.0037331600000000, 0.0023027100000000, 0.0181805900000000 ] - [ -0.0037331600000000, 0.0023027100000000, 0.0181805900000000 ] - [ 0.0002429700000000, 0.0002554800000000, 0.0020019300000000 ] - [ -0.0002429700000000, 0.0002554800000000, 0.0020019300000000 ] - [ 0.0019507900000000, 0.0019566300000000, -0.0047248800000000 ] - [ -0.0019507900000000, 0.0019566300000000, -0.0047248800000000 ] - [ -0.0007911400000000, 0.0007228800000000, -0.0013246700000000 ] - [ 0.0007911400000000, 0.0007228800000000, -0.0013246700000000 ] - [ -0.0008790800000000, -0.0014505500000000, -0.0004342700000000 ] - [ 0.0008790800000000, -0.0014505500000000, -0.0004342700000000 ] - [ 0.0004113000000000, -0.0005308700000000, -0.0003765700000000 ] - [ -0.0004113000000000, -0.0005308700000000, -0.0003765700000000 ] - [ 0.0000241600000000, -0.0002878400000000, -0.0007615300000000 ] - [ -0.0000241600000000, -0.0002878400000000, -0.0007615300000000 ] - [ -0.0000466100000000, -0.0003329800000000, -0.0000781800000000 ] - [ 0.0000466100000000, -0.0003329800000000, -0.0000781800000000 ] - [ 0.0000000000000000, 0.0004275000000000, 0.0046496300000000 ] - [ 0.0006500700000000, 0.0003892000000000, 0.0034973800000000 ] - [ 0.0000000000000000, 0.0004874100000000, 0.0016752100000000 ] - [ -0.0006500700000000, 0.0003892000000000, 0.0034973800000000 ] - [ 0.0000000000000000, -0.0008148600000000, -0.0030091600000000 ] - [ -0.0004520600000000, -0.0004610500000000, -0.0025412300000000 ] - [ 0.0000000000000000, 0.0002855700000000, -0.0012337400000000 ] - [ 0.0004520600000000, -0.0004610500000000, -0.0025412300000000 ] - [ 0.0000000000000000, -0.0007352400000000, 0.0012620300000000 ] - [ 0.0004716600000000, -0.0004678000000000, 0.0009219200000000 ] - [ 0.0000000000000000, -0.0002404600000000, 0.0003877500000000 ] - [ -0.0004716600000000, -0.0004678000000000, 0.0009219200000000 ] - [ 0.0000000000000000, 0.0048197000000000, -0.0009335900000000 ] - [ -0.0006909100000000, 0.0005821800000000, -0.0001694500000000 ] - [ 0.0000000000000000, -0.0000606200000000, -0.0003457000000000 ] - [ 0.0006909100000000, 0.0005821800000000, -0.0001694500000000 ] - [ 0.0000000000000000, -0.0034237300000000, 0.0168937000000000 ] - [ -0.0008363400000000, 0.0009416900000000, 0.0014191000000000 ] - [ 0.0000000000000000, 0.0015355700000000, 0.0003874900000000 ] - [ 0.0008363400000000, 0.0009416900000000, 0.0014191000000000 ] - [ 0.0000000000000000, 0.0015699200000000, -0.0967352900000000 ] - [ -0.0001066400000000, -0.0025975900000000, -0.0057976000000000 ] - [ 0.0000000000000000, -0.0015883200000000, -0.0034123000000000 ] - [ 0.0001066400000000, -0.0025975900000000, -0.0057976000000000 ] - [ 0.0000000000000000, -0.0022032900000000, 0.0103427900000000 ] - [ 0.0015914000000000, -0.0022906300000000, 0.0045455200000000 ] - [ 0.0000000000000000, -0.0013460900000000, 0.0030563000000000 ] - [ -0.0015914000000000, -0.0022906300000000, 0.0045455200000000 ] - [ -0.0033865000000000, -0.0057651400000000, -0.0002306100000000 ] - [ 0.0033865000000000, -0.0057651400000000, -0.0002306100000000 ] - [ 0.0003027400000000, -0.0014349900000000, -0.0004888600000000 ] - [ -0.0003027400000000, -0.0014349900000000, -0.0004888600000000 ] - [ 0.0147608300000000, 0.0041411000000000, 0.0129220000000000 ] - [ -0.0147608300000000, 0.0041411000000000, 0.0129220000000000 ] - [ -0.0009178100000000, 0.0017158800000000, 0.0023462900000000 ] - [ 0.0009178100000000, 0.0017158800000000, 0.0023462900000000 ] - [ 0.0000475500000000, 0.0015811900000000, -0.0002164100000000 ] - [ -0.0000475500000000, 0.0015811900000000, -0.0002164100000000 ] - [ -0.0000225600000000, 0.0011921800000000, -0.0019109900000000 ] - [ 0.0000225600000000, 0.0011921800000000, -0.0019109900000000 ] - [ 0.0002226100000000, 0.0002395100000000, 0.0022370900000000 ] - [ -0.0002226100000000, 0.0002395100000000, 0.0022370900000000 ] - [ 0.0001790300000000, -0.0001271300000000, 0.0005202900000000 ] - [ -0.0001790300000000, -0.0001271300000000, 0.0005202900000000 ] - [ 0.0028639900000000, -0.0034794800000000, -0.0029650800000000 ] - [ -0.0028639900000000, -0.0034794800000000, -0.0029650800000000 ] - [ -0.0006956500000000, -0.0006709500000000, -0.0007471800000000 ] - [ 0.0006956500000000, -0.0006709500000000, -0.0007471800000000 ] - [ 0.0002932600000000, 0.0024047600000000, 0.0007128700000000 ] - [ -0.0002932600000000, 0.0024047600000000, 0.0007128700000000 ] - [ -0.0003754700000000, 0.0020629500000000, 0.0002654900000000 ] - [ 0.0003754700000000, 0.0020629500000000, 0.0002654900000000 ] - [ 0.0001395100000000, -0.0014125100000000, -0.0038466900000000 ] - [ -0.0001395100000000, -0.0014125100000000, -0.0038466900000000 ] - [ 0.0000911100000000, -0.0014718500000000, -0.0034553200000000 ] - [ -0.0000911100000000, -0.0014718500000000, -0.0034553200000000 ] - [ -0.0001482500000000, -0.0010472300000000, 0.0033629400000000 ] - [ 0.0001482500000000, -0.0010472300000000, 0.0033629400000000 ] - [ 0.0003227000000000, -0.0011717000000000, 0.0031811000000000 ] - [ -0.0003227000000000, -0.0011717000000000, 0.0031811000000000 ] - [ 0.0000000000000000, 0.0021737100000000, -0.0006599600000000 ] - [ 0.0026730800000000, 0.0022555200000000, -0.0012750200000000 ] - [ 0.0000000000000000, -0.0012642400000000, -0.0002734000000000 ] - [ -0.0026730800000000, 0.0022555200000000, -0.0012750200000000 ] - [ 0.0000000000000000, 0.0016417600000000, 0.0022408500000000 ] - [ -0.0005009100000000, 0.0015457400000000, 0.0022195000000000 ] - [ 0.0000000000000000, 0.0014645900000000, 0.0024510600000000 ] - [ 0.0005009100000000, 0.0015457400000000, 0.0022195000000000 ] - [ 0.0000000000000000, 0.0012614200000000, -0.0016379000000000 ] - [ -0.0001332200000000, 0.0013545400000000, -0.0018798200000000 ] - [ 0.0000000000000000, 0.0013135900000000, -0.0022605300000000 ] - [ 0.0001332200000000, 0.0013545400000000, -0.0018798200000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0002210500000000, 0.0033018600000000 ] - [ -0.0013034600000000, -0.0012070900000000, 0.0013456900000000 ] - [ 0.0000000000000000, -0.0022855800000000, 0.0003405900000000 ] - [ 0.0013034600000000, -0.0012070900000000, 0.0013456900000000 ] - [ 0.0008605600000000, 0.0032850700000000, -0.0066822300000000 ] - [ -0.0008605600000000, 0.0032850700000000, -0.0066822300000000 ] - [ 0.0014293100000000, 0.0020654300000000, -0.0005218500000000 ] - [ -0.0014293100000000, 0.0020654300000000, -0.0005218500000000 ] - [ 0.0010995900000000, -0.0039533800000000, 0.0007320000000000 ] - [ -0.0010995900000000, -0.0039533800000000, 0.0007320000000000 ] - [ -0.0002917600000000, -0.0025509400000000, 0.0003112800000000 ] - [ 0.0002917600000000, -0.0025509400000000, 0.0003112800000000 ] - [ 0.0000000000000000, 0.0009454900000000, -0.0007277700000000 ] - [ 0.0004124200000000, 0.0021599900000000, -0.0004465100000000 ] - [ 0.0000000000000000, 0.0024060700000000, -0.0002243700000000 ] - [ -0.0004124200000000, 0.0021599900000000, -0.0004465100000000 ] - [ 0.0000000000000000, 0.0070308600000000, -0.0205657500000000 ] - [ -0.0047571800000000, -0.0026991200000000, -0.0024943300000000 ] - [ 0.0000000000000000, -0.0004804000000000, -0.0010973300000000 ] - [ 0.0047571800000000, -0.0026991200000000, -0.0024943300000000 ] - [ 0.0000000000000000, 0.0018668900000000, 0.0080426700000000 ] - [ -0.0000207100000000, -0.0000731100000000, 0.0033342600000000 ] - [ 0.0000000000000000, -0.0003252600000000, 0.0015771000000000 ] - [ 0.0000207100000000, -0.0000731100000000, 0.0033342600000000 ] - [ -0.0037995300000000, -0.0017225500000000, -0.0165390300000000 ] - [ 0.0037995300000000, -0.0017225500000000, -0.0165390300000000 ] - [ -0.0002203300000000, 0.0003351300000000, -0.0003984000000000 ] - [ 0.0002203300000000, 0.0003351300000000, -0.0003984000000000 ] - [ -0.0019396000000000, -0.0013408100000000, 0.0031346300000000 ] - [ 0.0019396000000000, -0.0013408100000000, 0.0031346300000000 ] - [ 0.0007822000000000, -0.0001304400000000, -0.0002687400000000 ] - [ -0.0007822000000000, -0.0001304400000000, -0.0002687400000000 ] - [ 0.0008794600000000, 0.0008371900000000, -0.0011850800000000 ] - [ -0.0008794600000000, 0.0008371900000000, -0.0011850800000000 ] - [ -0.0004003500000000, -0.0000701400000000, -0.0012295700000000 ] - [ 0.0004003500000000, -0.0000701400000000, -0.0012295700000000 ] - [ -0.0000202200000000, -0.0002985200000000, 0.0023619100000000 ] - [ 0.0000202200000000, -0.0002985200000000, 0.0023619100000000 ] - [ 0.0000479900000000, -0.0002500200000000, 0.0016810400000000 ] - [ -0.0000479900000000, -0.0002500200000000, 0.0016810400000000 ] - [ 0.0000000000000000, 0.0001434900000000, -0.0030510300000000 ] - [ -0.0006504900000000, 0.0001863800000000, -0.0018854800000000 ] - [ 0.0000000000000000, 0.0000982800000000, -0.0000700500000000 ] - [ 0.0006504900000000, 0.0001863800000000, -0.0018854800000000 ] - [ 0.0000000000000000, 0.0013893700000000, 0.0014100900000000 ] - [ 0.0004411100000000, 0.0010335900000000, 0.0009330900000000 ] - [ 0.0000000000000000, 0.0002922400000000, -0.0003649500000000 ] - [ -0.0004411100000000, 0.0010335900000000, 0.0009330900000000 ] - [ 0.0000000000000000, 0.0007320300000000, -0.0012659600000000 ] - [ -0.0004691300000000, 0.0004639700000000, -0.0009242100000000 ] - [ 0.0000000000000000, 0.0002402600000000, -0.0003894000000000 ] - [ 0.0004691300000000, 0.0004639700000000, -0.0009242100000000 ] - [ 0.0000000000000000, -0.0047804800000000, 0.0009757700000000 ] - [ 0.0006340100000000, -0.0005303500000000, 0.0002042100000000 ] - [ 0.0000000000000000, 0.0000668400000000, 0.0003495800000000 ] - [ -0.0006340100000000, -0.0005303500000000, 0.0002042100000000 ] - [ 0.0000000000000000, 0.0064810000000000, -0.0170718100000000 ] - [ 0.0008438200000000, 0.0020853400000000, -0.0014159500000000 ] - [ 0.0000000000000000, 0.0014899000000000, -0.0003843300000000 ] - [ -0.0008438200000000, 0.0020853400000000, -0.0014159500000000 ] - [ 0.0000000000000000, -0.0058797100000000, 0.0927168000000000 ] - [ 0.0000618600000000, -0.0002030100000000, 0.0003389600000000 ] - [ 0.0000000000000000, -0.0011881900000000, -0.0020463000000000 ] - [ -0.0000618600000000, -0.0002030100000000, 0.0003389600000000 ] - [ 0.0000000000000000, -0.0005813900000000, -0.0048245100000000 ] - [ -0.0015846600000000, -0.0004856900000000, 0.0009117000000000 ] - [ 0.0000000000000000, -0.0014205400000000, 0.0023978900000000 ] - [ 0.0015846600000000, -0.0004856900000000, 0.0009117000000000 ] - [ 0.0033763700000000, 0.0027313000000000, 0.0001809800000000 ] - [ -0.0033763700000000, 0.0027313000000000, 0.0001809800000000 ] - [ -0.0003050900000000, -0.0015879000000000, 0.0004787000000000 ] - [ 0.0003050900000000, -0.0015879000000000, 0.0004787000000000 ] - [ -0.0149686400000000, -0.0014299900000000, -0.0075702800000000 ] - [ 0.0149686400000000, -0.0014299900000000, -0.0075702800000000 ] - [ 0.0009202800000000, 0.0010453900000000, 0.0031190000000000 ] - [ -0.0009202800000000, 0.0010453900000000, 0.0031190000000000 ] - [ -0.0000565800000000, 0.0011765300000000, -0.0052424300000000 ] - [ 0.0000565800000000, 0.0011765300000000, -0.0052424300000000 ] - [ 0.0000266200000000, 0.0015729700000000, -0.0035467700000000 ] - [ -0.0000266200000000, 0.0015729700000000, -0.0035467700000000 ] - [ -0.0002280800000000, -0.0002342000000000, -0.0022404300000000 ] - [ 0.0002280800000000, -0.0002342000000000, -0.0022404300000000 ] - [ -0.0001750900000000, 0.0001287600000000, -0.0005213100000000 ] - [ 0.0001750900000000, 0.0001287600000000, -0.0005213100000000 ] - [ -0.0028808300000000, 0.0034869300000000, 0.0029931200000000 ] - [ 0.0028808300000000, 0.0034869300000000, 0.0029931200000000 ] - [ 0.0007008500000000, 0.0006716100000000, 0.0007490600000000 ] - [ -0.0007008500000000, 0.0006716100000000, 0.0007490600000000 ] - [ -0.0002940900000000, 0.0006158800000000, -0.0007039700000000 ] - [ 0.0002940900000000, 0.0006158800000000, -0.0007039700000000 ] - [ 0.0003769800000000, 0.0009582600000000, -0.0002578800000000 ] - [ -0.0003769800000000, 0.0009582600000000, -0.0002578800000000 ] - [ -0.0001385500000000, -0.0013429300000000, -0.0016105000000000 ] - [ 0.0001385500000000, -0.0013429300000000, -0.0016105000000000 ] - [ -0.0000898800000000, -0.0012883700000000, -0.0020034300000000 ] - [ 0.0000898800000000, -0.0012883700000000, -0.0020034300000000 ] - [ 0.0001478400000000, -0.0017134600000000, 0.0020906500000000 ] - [ -0.0001478400000000, -0.0017134600000000, 0.0020906500000000 ] - [ -0.0003214100000000, -0.0015913600000000, 0.0022737700000000 ] - [ 0.0003214100000000, -0.0015913600000000, 0.0022737700000000 ] - [ 0.0000000000000000, -0.0051906200000000, 0.0006510700000000 ] - [ -0.0026559700000000, -0.0052535500000000, 0.0012678300000000 ] - [ 0.0000000000000000, -0.0017600300000000, 0.0002724800000000 ] - [ 0.0026559700000000, -0.0052535500000000, 0.0012678300000000 ] - [ 0.0000000000000000, 0.0011432300000000, 0.0032230600000000 ] - [ 0.0004997100000000, 0.0012339300000000, 0.0032414400000000 ] - [ 0.0000000000000000, 0.0013125500000000, 0.0030088300000000 ] - [ -0.0004997100000000, 0.0012339300000000, 0.0032414400000000 ] - [ 0.0000000000000000, 0.0015123100000000, -0.0038207800000000 ] - [ 0.0001360600000000, 0.0014159200000000, -0.0035778800000000 ] - [ 0.0000000000000000, 0.0014550600000000, -0.0031975700000000 ] - [ -0.0001360600000000, 0.0014159200000000, -0.0035778800000000 ]