# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e4067b89-e22f-4d02-a269-a86ef302cddf/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 CsHSO4 / P2_1/m (11) / materials id 557752](https://mdr.nims.go.jp/datasets/78889463-caba-4e5c-b096-2e65f6ed666d) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/m" number: 11 Hall_symbol: "-P 2yb"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.500982810000000, 0.000000000000000, -0.052240220000000 ] # a - [ 0.000000000000000, 5.789890550000000, 0.000000000000000 ] # b - [ -1.330406260000000, 0.000000000000000, 7.073211700000000 ] # c points: - symbol: Cs # 1 coordinates: [ 0.013527410000000, 0.750000000000000, 0.714235450000000 ] mass: 132.905452 - symbol: Cs # 2 coordinates: [ 0.986472590000000, 0.250000000000000, 0.285764550000000 ] mass: 132.905452 - symbol: H # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 1.007940 - symbol: H # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 1.007940 - symbol: S # 5 coordinates: [ 0.553561820000000, 0.250000000000000, 0.759933340000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.446438180000000, 0.750000000000000, 0.240066660000000 ] mass: 32.065000 - symbol: O # 7 coordinates: [ 0.369816000000000, 0.539049400000000, 0.113526440000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.630184000000000, 0.460950600000000, 0.886473560000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.699453200000000, 0.250000000000000, 0.612614500000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.369816000000000, 0.960950600000000, 0.113526440000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.630184000000000, 0.039049400000000, 0.886473560000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.714949680000000, 0.750000000000000, 0.303136120000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.300546800000000, 0.750000000000000, 0.387385500000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.285050320000000, 0.250000000000000, 0.696863880000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.182110986363203, 0.000000000000000, 0.034253406592140 ] # a* - [ 0.000000000000000, 0.172714836552480, 0.000000000000000 ] # b* - [ 0.001345006822294, 0.000000000000000, 0.141631474920526 ] # c*unit_cell: lattice: - [ 5.500982810000000, 0.000000000000000, -0.052240220000000 ] # a - [ 0.000000000000000, 5.789890550000000, 0.000000000000000 ] # b - [ -1.330406260000000, 0.000000000000000, 7.073211700000000 ] # c points: - symbol: Cs # 1 coordinates: [ 0.013527410000000, 0.750000000000000, 0.714235450000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.986472590000000, 0.250000000000000, 0.285764550000000 ] mass: 132.905452 reduced_to: 2 - symbol: H # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.553561820000000, 0.250000000000000, 0.759933340000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.446438180000000, 0.750000000000000, 0.240066660000000 ] mass: 32.065000 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.369816000000000, 0.539049400000000, 0.113526440000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.630184000000000, 0.460950600000000, 0.886473560000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.699453200000000, 0.250000000000000, 0.612614500000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.369816000000000, 0.960950600000000, 0.113526440000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.630184000000000, 0.039049400000000, 0.886473560000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.714949680000000, 0.750000000000000, 0.303136120000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.300546800000000, 0.750000000000000, 0.387385500000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.285050320000000, 0.250000000000000, 0.696863880000000 ] mass: 15.999400 reduced_to: 14supercell: lattice: - [ 11.001965620000000, 0.000000000000000, -0.104480440000000 ] # a - [ 0.000000000000000, 11.579781100000000, 0.000000000000000 ] # b - [ -2.660812520000000, 0.000000000000000, 14.146423400000000 ] # c points: - symbol: Cs # 1 coordinates: [ 0.006763705000000, 0.375000000000000, 0.357117725000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.506763705000000, 0.375000000000000, 0.357117725000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 3 coordinates: [ 0.006763705000000, 0.875000000000000, 0.357117725000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 4 coordinates: [ 0.506763705000000, 0.875000000000000, 0.357117725000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 5 coordinates: [ 0.006763705000000, 0.375000000000000, 0.857117725000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 6 coordinates: [ 0.506763705000000, 0.375000000000000, 0.857117725000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 7 coordinates: [ 0.006763705000000, 0.875000000000000, 0.857117725000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 8 coordinates: [ 0.506763705000000, 0.875000000000000, 0.857117725000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 9 coordinates: [ 0.493236295000000, 0.125000000000000, 0.142882275000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 10 coordinates: [ 0.993236295000000, 0.125000000000000, 0.142882275000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 11 coordinates: [ 0.493236295000000, 0.625000000000000, 0.142882275000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 12 coordinates: [ 0.993236295000000, 0.625000000000000, 0.142882275000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 13 coordinates: [ 0.493236295000000, 0.125000000000000, 0.642882275000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 14 coordinates: [ 0.993236295000000, 0.125000000000000, 0.642882275000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 15 coordinates: [ 0.493236295000000, 0.625000000000000, 0.642882275000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 16 coordinates: [ 0.993236295000000, 0.625000000000000, 0.642882275000000 ] mass: 132.905452 reduced_to: 9 - symbol: H # 17 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 19 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 20 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 21 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 22 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 23 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 24 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 25 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 27 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 28 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 29 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 30 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 31 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 32 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 1.007940 reduced_to: 25 - symbol: S # 33 coordinates: [ 0.276780910000000, 0.125000000000000, 0.379966670000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.776780910000000, 0.125000000000000, 0.379966670000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 35 coordinates: [ 0.276780910000000, 0.625000000000000, 0.379966670000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 36 coordinates: [ 0.776780910000000, 0.625000000000000, 0.379966670000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 37 coordinates: [ 0.276780910000000, 0.125000000000000, 0.879966670000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 38 coordinates: [ 0.776780910000000, 0.125000000000000, 0.879966670000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 39 coordinates: [ 0.276780910000000, 0.625000000000000, 0.879966670000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 40 coordinates: [ 0.776780910000000, 0.625000000000000, 0.879966670000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 41 coordinates: [ 0.223219090000000, 0.375000000000000, 0.120033330000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.723219090000000, 0.375000000000000, 0.120033330000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 43 coordinates: [ 0.223219090000000, 0.875000000000000, 0.120033330000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 44 coordinates: [ 0.723219090000000, 0.875000000000000, 0.120033330000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 45 coordinates: [ 0.223219090000000, 0.375000000000000, 0.620033330000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 46 coordinates: [ 0.723219090000000, 0.375000000000000, 0.620033330000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 47 coordinates: [ 0.223219090000000, 0.875000000000000, 0.620033330000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 48 coordinates: [ 0.723219090000000, 0.875000000000000, 0.620033330000000 ] mass: 32.065000 reduced_to: 41 - symbol: O # 49 coordinates: [ 0.184908000000000, 0.269524700000000, 0.056763220000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.684908000000000, 0.269524700000000, 0.056763220000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.184908000000000, 0.769524700000000, 0.056763220000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.684908000000000, 0.769524700000000, 0.056763220000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.184908000000000, 0.269524700000000, 0.556763220000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.684908000000000, 0.269524700000000, 0.556763220000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.184908000000000, 0.769524700000000, 0.556763220000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 56 coordinates: [ 0.684908000000000, 0.769524700000000, 0.556763220000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 57 coordinates: [ 0.315092000000000, 0.230475300000000, 0.443236780000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.815092000000000, 0.230475300000000, 0.443236780000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.315092000000000, 0.730475300000000, 0.443236780000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.815092000000000, 0.730475300000000, 0.443236780000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.315092000000000, 0.230475300000000, 0.943236780000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 62 coordinates: [ 0.815092000000000, 0.230475300000000, 0.943236780000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 63 coordinates: [ 0.315092000000000, 0.730475300000000, 0.943236780000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 64 coordinates: [ 0.815092000000000, 0.730475300000000, 0.943236780000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 65 coordinates: [ 0.349726600000000, 0.125000000000000, 0.306307250000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.849726600000000, 0.125000000000000, 0.306307250000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.349726600000000, 0.625000000000000, 0.306307250000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.849726600000000, 0.625000000000000, 0.306307250000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.349726600000000, 0.125000000000000, 0.806307250000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 70 coordinates: [ 0.849726600000000, 0.125000000000000, 0.806307250000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 71 coordinates: [ 0.349726600000000, 0.625000000000000, 0.806307250000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 72 coordinates: [ 0.849726600000000, 0.625000000000000, 0.806307250000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 73 coordinates: [ 0.184908000000000, 0.480475300000000, 0.056763220000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.684908000000000, 0.480475300000000, 0.056763220000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.184908000000000, 0.980475300000000, 0.056763220000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.684908000000000, 0.980475300000000, 0.056763220000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.184908000000000, 0.480475300000000, 0.556763220000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.684908000000000, 0.480475300000000, 0.556763220000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.184908000000000, 0.980475300000000, 0.556763220000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 80 coordinates: [ 0.684908000000000, 0.980475300000000, 0.556763220000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 81 coordinates: [ 0.315092000000000, 0.019524700000000, 0.443236780000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.815092000000000, 0.019524700000000, 0.443236780000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.315092000000000, 0.519524700000000, 0.443236780000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.815092000000000, 0.519524700000000, 0.443236780000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.315092000000000, 0.019524700000000, 0.943236780000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 86 coordinates: [ 0.815092000000000, 0.019524700000000, 0.943236780000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 87 coordinates: [ 0.315092000000000, 0.519524700000000, 0.943236780000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 88 coordinates: [ 0.815092000000000, 0.519524700000000, 0.943236780000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 89 coordinates: [ 0.357474840000000, 0.375000000000000, 0.151568060000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.857474840000000, 0.375000000000000, 0.151568060000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.357474840000000, 0.875000000000000, 0.151568060000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.857474840000000, 0.875000000000000, 0.151568060000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.357474840000000, 0.375000000000000, 0.651568060000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 94 coordinates: [ 0.857474840000000, 0.375000000000000, 0.651568060000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 95 coordinates: [ 0.357474840000000, 0.875000000000000, 0.651568060000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 96 coordinates: [ 0.857474840000000, 0.875000000000000, 0.651568060000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 97 coordinates: [ 0.150273400000000, 0.375000000000000, 0.193692750000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.650273400000000, 0.375000000000000, 0.193692750000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.150273400000000, 0.875000000000000, 0.193692750000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.650273400000000, 0.875000000000000, 0.193692750000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.150273400000000, 0.375000000000000, 0.693692750000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 102 coordinates: [ 0.650273400000000, 0.375000000000000, 0.693692750000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 103 coordinates: [ 0.150273400000000, 0.875000000000000, 0.693692750000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 104 coordinates: [ 0.650273400000000, 0.875000000000000, 0.693692750000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 105 coordinates: [ 0.142525160000000, 0.125000000000000, 0.348431940000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.642525160000000, 0.125000000000000, 0.348431940000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.142525160000000, 0.625000000000000, 0.348431940000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.642525160000000, 0.625000000000000, 0.348431940000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.142525160000000, 0.125000000000000, 0.848431940000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 110 coordinates: [ 0.642525160000000, 0.125000000000000, 0.848431940000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 111 coordinates: [ 0.142525160000000, 0.625000000000000, 0.848431940000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 112 coordinates: [ 0.642525160000000, 0.625000000000000, 0.848431940000000 ] mass: 15.999400 reduced_to: 105born_effective_charge:- # 1 (Cs) - [ 1.440701880000000, 0.000000000000000, -0.013991590000000 ] - [ 0.000000000000000, 1.352874300000000, 0.000000000000000 ] - [ -0.046739740000000, 0.000000000000000, 1.360368060000000 ]- # 2 (Cs) - [ 1.440701880000000, 0.000000000000000, -0.013991590000000 ] - [ 0.000000000000000, 1.352874300000000, 0.000000000000000 ] - [ -0.046739740000000, 0.000000000000000, 1.360368060000000 ]- # 3 (H) - [ 1.010312690000000, -0.355742780000000, -0.736860350000000 ] - [ -0.916277980000000, 0.594570060000000, 0.842683220000000 ] - [ -1.180770070000000, 0.428773140000000, 1.528332410000000 ]- # 4 (H) - [ 1.010312690000000, 0.355742780000000, -0.736860350000000 ] - [ 0.916277980000000, 0.594570060000000, -0.842683220000000 ] - [ -1.180770070000000, -0.428773140000000, 1.528332410000000 ]- # 5 (S) - [ 3.115628960000000, 0.000000000000000, -0.218807040000000 ] - [ 0.000000000000000, 3.537542960000000, 0.000000000000000 ] - [ 0.309757830000000, 0.000000000000000, 3.411114340000000 ]- # 6 (S) - [ 3.115628960000001, 0.000000000000000, -0.218807040000000 ] - [ 0.000000000000000, 3.537542960000000, 0.000000000000000 ] - [ 0.309757830000000, 0.000000000000000, 3.411114340000000 ]- # 7 (O) - [ -1.178559860000000, 0.046450460000000, 0.315703310000000 ] - [ 0.216268280000000, -1.748304360000000, -0.959110600000000 ] - [ 0.409213610000000, -0.729937060000000, -1.824102410000000 ]- # 8 (O) - [ -1.178559860000000, 0.046450460000000, 0.315703310000000 ] - [ 0.216268280000000, -1.748304360000000, -0.959110600000000 ] - [ 0.409213610000000, -0.729937060000000, -1.824102410000000 ]- # 9 (O) - [ -1.447622830000000, 0.000000000000000, 0.653851860000000 ] - [ 0.000000000000000, -0.983322920000000, 0.000000000000000 ] - [ 0.587846960000000, 0.000000000000000, -1.535433060000000 ]- # 10 (O) - [ -1.178559860000000, -0.046450460000000, 0.315703310000000 ] - [ -0.216268280000000, -1.748304360000000, 0.959110600000000 ] - [ 0.409213610000000, 0.729937060000000, -1.824102410000000 ]- # 11 (O) - [ -1.178559860000000, -0.046450460000000, 0.315703310000000 ] - [ -0.216268280000000, -1.748304360000000, 0.959110600000000 ] - [ 0.409213610000000, 0.729937060000000, -1.824102410000000 ]- # 12 (O) - [ -1.761900990000000, 0.000000000000000, -0.315599490000000 ] - [ 0.000000000000000, -1.005055680000000, 0.000000000000000 ] - [ -0.488522210000000, 0.000000000000000, -1.116176940000000 ]- # 13 (O) - [ -1.447622830000000, 0.000000000000000, 0.653851860000000 ] - [ 0.000000000000000, -0.983322920000000, 0.000000000000000 ] - [ 0.587846960000000, 0.000000000000000, -1.535433060000000 ]- # 14 (O) - [ -1.761900990000000, 0.000000000000000, -0.315599490000000 ] - [ 0.000000000000000, -1.005055680000000, 0.000000000000000 ] - [ -0.488522210000000, 0.000000000000000, -1.116176940000000 ]dielectric_constant: - [ 2.409815180000000, 0.000000000000000, -0.077605300000000 ] - [ 0.000000000000000, 2.369191560000000, 0.000000000000000 ] - [ -0.077604160000000, 0.000000000000000, 2.444551960000000 ]displacements:- atom: 1 displacement: [ 0.0099995491105751, 0.0000000000000000, -0.0000949609666999 ] forces: - [ -0.0145944700000000, 0.0000000000000000, 0.0073231600000000 ] - [ 0.0062096600000000, 0.0000000000000000, 0.0048545900000000 ] - [ 0.0024818600000000, 0.0000000000000000, 0.0048962400000000 ] - [ 0.0045414900000000, 0.0000000000000000, 0.0048380700000000 ] - [ 0.0031941300000000, 0.0000000000000000, 0.0045810000000000 ] - [ 0.0040189200000000, 0.0000000000000000, 0.0050550000000000 ] - [ 0.0034341500000000, 0.0000000000000000, 0.0047271900000000 ] - [ 0.0038043500000000, 0.0000000000000000, 0.0048985400000000 ] - [ -0.0027414700000000, 0.0000553000000000, -0.0046809200000000 ] - [ -0.0049331400000000, -0.0004155800000000, -0.0051983500000000 ] - [ -0.0027414700000000, -0.0000553000000000, -0.0046809200000000 ] - [ -0.0049331400000000, 0.0004155800000000, -0.0051983500000000 ] - [ -0.0029334200000000, -0.0000753900000000, -0.0046189400000000 ] - [ -0.0043288900000000, 0.0001135700000000, -0.0053234700000000 ] - [ -0.0029334200000000, 0.0000753900000000, -0.0046189400000000 ] - [ -0.0043288900000000, -0.0001135700000000, -0.0053234700000000 ] - [ 0.0010325300000000, -0.0003187000000000, -0.0009481200000000 ] - [ -0.0006770700000000, 0.0002970600000000, 0.0007683900000000 ] - [ 0.0000906200000000, 0.0000052100000000, -0.0000724700000000 ] - [ -0.0001002800000000, 0.0000199700000000, 0.0001054100000000 ] - [ 0.0004411400000000, -0.0007377100000000, 0.0018387800000000 ] - [ 0.0023773200000000, -0.0005833400000000, -0.0024669700000000 ] - [ -0.0007053000000000, 0.0003848200000000, 0.0008292000000000 ] - [ 0.0010895800000000, -0.0004392100000000, -0.0010621100000000 ] - [ 0.0000906200000000, -0.0000052100000000, -0.0000724700000000 ] - [ -0.0001002800000000, -0.0000199700000000, 0.0001054100000000 ] - [ 0.0010325300000000, 0.0003187000000000, -0.0009481200000000 ] - [ -0.0006770700000000, -0.0002970600000000, 0.0007683900000000 ] - [ -0.0007053000000000, -0.0003848200000000, 0.0008292000000000 ] - [ 0.0010895800000000, 0.0004392100000000, -0.0010621100000000 ] - [ 0.0004411400000000, 0.0007377100000000, 0.0018387800000000 ] - [ 0.0023773200000000, 0.0005833400000000, -0.0024669700000000 ] - [ 0.0045762800000000, -0.0049154400000000, -0.0001585200000000 ] - [ 0.0047847800000000, 0.0074496300000000, 0.0010647400000000 ] - [ 0.0045762800000000, 0.0049154400000000, -0.0001585200000000 ] - [ 0.0047847800000000, -0.0074496300000000, 0.0010647400000000 ] - [ 0.0005232200000000, -0.0005670500000000, -0.0000077600000000 ] - [ 0.0009322000000000, 0.0003835100000000, 0.0003118100000000 ] - [ 0.0005232200000000, 0.0005670500000000, -0.0000077600000000 ] - [ 0.0009322000000000, -0.0003835100000000, 0.0003118100000000 ] - [ 0.0046977500000000, 0.0000000000000000, -0.0066193500000000 ] - [ 0.0009053200000000, 0.0000000000000000, 0.0049099000000000 ] - [ -0.0003334200000000, 0.0000000000000000, -0.0004920200000000 ] - [ -0.0010333300000000, 0.0000000000000000, 0.0002679000000000 ] - [ -0.0002860400000000, 0.0000000000000000, 0.0041903500000000 ] - [ -0.0000888400000000, 0.0000000000000000, -0.0023184700000000 ] - [ -0.0008002500000000, 0.0000000000000000, 0.0006560200000000 ] - [ -0.0006789400000000, 0.0000000000000000, -0.0012920900000000 ] - [ -0.0007912400000000, 0.0005402300000000, 0.0020740900000000 ] - [ 0.0002232100000000, -0.0014673600000000, -0.0013590900000000 ] - [ 0.0001878000000000, -0.0006060500000000, 0.0001018500000000 ] - [ 0.0002939100000000, -0.0006300800000000, -0.0001626600000000 ] - [ 0.0007429000000000, -0.0009990600000000, -0.0012687100000000 ] - [ -0.0009890400000000, 0.0000377800000000, 0.0016078400000000 ] - [ 0.0006801800000000, -0.0008950100000000, -0.0005835900000000 ] - [ -0.0003386500000000, -0.0002361700000000, 0.0007904900000000 ] - [ -0.0012883800000000, 0.0024511900000000, -0.0002697400000000 ] - [ 0.0010376400000000, 0.0002968300000000, -0.0011301900000000 ] - [ -0.0005805100000000, -0.0010769100000000, -0.0009948900000000 ] - [ -0.0007100800000000, 0.0029149000000000, 0.0011506400000000 ] - [ -0.0007102000000000, 0.0010322100000000, 0.0006346900000000 ] - [ 0.0001584700000000, 0.0002933500000000, -0.0004389100000000 ] - [ -0.0002469500000000, 0.0004667600000000, -0.0000276500000000 ] - [ -0.0001343800000000, 0.0006719800000000, 0.0000123600000000 ] - [ -0.0012096900000000, 0.0006457200000000, 0.0002484400000000 ] - [ 0.0001153300000000, -0.0015256000000000, -0.0005664000000000 ] - [ -0.0012096900000000, -0.0006457200000000, 0.0002484400000000 ] - [ 0.0001153300000000, 0.0015256000000000, -0.0005664000000000 ] - [ 0.0000318200000000, 0.0001375100000000, -0.0002813400000000 ] - [ 0.0001189200000000, -0.0000844300000000, -0.0003606200000000 ] - [ 0.0000318200000000, -0.0001375100000000, -0.0002813400000000 ] - [ 0.0001189200000000, 0.0000844300000000, -0.0003606200000000 ] - [ -0.0007912400000000, -0.0005402300000000, 0.0020740900000000 ] - [ 0.0002232100000000, 0.0014673600000000, -0.0013590900000000 ] - [ 0.0001878000000000, 0.0006060500000000, 0.0001018500000000 ] - [ 0.0002939100000000, 0.0006300800000000, -0.0001626600000000 ] - [ 0.0007429000000000, 0.0009990600000000, -0.0012687100000000 ] - [ -0.0009890400000000, -0.0000377800000000, 0.0016078400000000 ] - [ 0.0006801800000000, 0.0008950100000000, -0.0005835900000000 ] - [ -0.0003386500000000, 0.0002361700000000, 0.0007904900000000 ] - [ -0.0005805100000000, 0.0010769100000000, -0.0009948900000000 ] - [ -0.0007100800000000, -0.0029149000000000, 0.0011506400000000 ] - [ -0.0012883800000000, -0.0024511900000000, -0.0002697400000000 ] - [ 0.0010376400000000, -0.0002968300000000, -0.0011301900000000 ] - [ -0.0002469500000000, -0.0004667600000000, -0.0000276500000000 ] - [ -0.0001343800000000, -0.0006719800000000, 0.0000123600000000 ] - [ -0.0007102000000000, -0.0010322100000000, 0.0006346900000000 ] - [ 0.0001584700000000, -0.0002933500000000, -0.0004389100000000 ] - [ -0.0029286800000000, 0.0000000000000000, 0.0005988400000000 ] - [ -0.0005845000000000, 0.0000000000000000, 0.0003940200000000 ] - [ -0.0012318400000000, 0.0000000000000000, -0.0000240200000000 ] - [ -0.0007859900000000, 0.0000000000000000, -0.0001727700000000 ] - [ -0.0018447900000000, 0.0000000000000000, -0.0009410900000000 ] - [ -0.0010889400000000, 0.0000000000000000, 0.0007222900000000 ] - [ -0.0010990100000000, 0.0000000000000000, -0.0002647500000000 ] - [ -0.0009021100000000, 0.0000000000000000, 0.0002362000000000 ] - [ -0.0000571500000000, 0.0000000000000000, 0.0008325900000000 ] - [ -0.0007104900000000, 0.0000000000000000, -0.0015556700000000 ] - [ -0.0001160500000000, 0.0000000000000000, 0.0005464600000000 ] - [ -0.0000057900000000, 0.0000000000000000, 0.0000610400000000 ] - [ 0.0008327200000000, 0.0000000000000000, -0.0008748400000000 ] - [ -0.0008187800000000, 0.0000000000000000, 0.0013123100000000 ] - [ 0.0002485800000000, 0.0000000000000000, -0.0000192600000000 ] - [ -0.0003826900000000, 0.0000000000000000, 0.0008272100000000 ] - [ 0.0008155800000000, 0.0006611600000000, -0.0000695100000000 ] - [ -0.0009465200000000, -0.0009690300000000, -0.0006952800000000 ] - [ 0.0008155800000000, -0.0006611600000000, -0.0000695100000000 ] - [ -0.0009465200000000, 0.0009690300000000, -0.0006952800000000 ] - [ 0.0011968100000000, 0.0001082300000000, 0.0001731700000000 ] - [ 0.0009165500000000, -0.0000690600000000, -0.0000429500000000 ] - [ 0.0011968100000000, -0.0001082300000000, 0.0001731700000000 ] - [ 0.0009165500000000, 0.0000690600000000, -0.0000429500000000 ]- atom: 1 displacement: [ -0.0099995491105751, 0.0000000000000000, 0.0000949609666999 ] forces: - [ 0.0174048200000000, 0.0000000000000000, -0.0010378100000000 ] - [ 0.0010322000000000, 0.0000000000000000, 0.0048571700000000 ] - [ 0.0047486100000000, 0.0000000000000000, 0.0048168500000000 ] - [ 0.0026953900000000, 0.0000000000000000, 0.0048754900000000 ] - [ 0.0040372100000000, 0.0000000000000000, 0.0051363400000000 ] - [ 0.0032166900000000, 0.0000000000000000, 0.0046634000000000 ] - [ 0.0037983900000000, 0.0000000000000000, 0.0049890400000000 ] - [ 0.0034302200000000, 0.0000000000000000, 0.0048176600000000 ] - [ -0.0044067200000000, -0.0000554100000000, -0.0049755700000000 ] - [ -0.0022286300000000, 0.0004284300000000, -0.0044463100000000 ] - [ -0.0044067200000000, 0.0000554100000000, -0.0049755700000000 ] - [ -0.0022286300000000, -0.0004284300000000, -0.0044463100000000 ] - [ -0.0042167200000000, 0.0000737300000000, -0.0050319100000000 ] - [ -0.0028238600000000, -0.0001135400000000, -0.0043321800000000 ] - [ -0.0042167200000000, -0.0000737300000000, -0.0050319100000000 ] - [ -0.0028238600000000, 0.0001135400000000, -0.0043321800000000 ] - [ -0.0009899000000000, 0.0003179500000000, 0.0009765900000000 ] - [ 0.0007139300000000, -0.0002940500000000, -0.0007310400000000 ] - [ -0.0000514900000000, -0.0000043400000000, 0.0001045100000000 ] - [ 0.0001409200000000, -0.0000201500000000, -0.0000739800000000 ] - [ -0.0004021000000000, 0.0007291300000000, -0.0017852900000000 ] - [ -0.0023385900000000, 0.0005743100000000, 0.0024992500000000 ] - [ 0.0007417200000000, -0.0003828600000000, -0.0007950600000000 ] - [ -0.0010458200000000, 0.0004384500000000, 0.0010898800000000 ] - [ -0.0000514900000000, 0.0000043400000000, 0.0001045100000000 ] - [ 0.0001409200000000, 0.0000201500000000, -0.0000739800000000 ] - [ -0.0009899000000000, -0.0003179500000000, 0.0009765900000000 ] - [ 0.0007139300000000, 0.0002940500000000, -0.0007310400000000 ] - [ 0.0007417200000000, 0.0003828600000000, -0.0007950600000000 ] - [ -0.0010458200000000, -0.0004384500000000, 0.0010898800000000 ] - [ -0.0004021000000000, -0.0007291300000000, -0.0017852900000000 ] - [ -0.0023385900000000, -0.0005743100000000, 0.0024992500000000 ] - [ -0.0030705600000000, 0.0048530900000000, 0.0006128500000000 ] - [ -0.0032566500000000, -0.0074863900000000, -0.0006097900000000 ] - [ -0.0030705600000000, -0.0048530900000000, 0.0006128500000000 ] - [ -0.0032566500000000, 0.0074863900000000, -0.0006097900000000 ] - [ 0.0009898100000000, 0.0005642900000000, 0.0004841100000000 ] - [ 0.0005830600000000, -0.0003807900000000, 0.0001691200000000 ] - [ 0.0009898100000000, -0.0005642900000000, 0.0004841100000000 ] - [ 0.0005830600000000, 0.0003807900000000, 0.0001691200000000 ] - [ -0.0061035800000000, 0.0000000000000000, 0.0061593300000000 ] - [ -0.0022498700000000, 0.0000000000000000, -0.0053276100000000 ] - [ -0.0011022300000000, 0.0000000000000000, 0.0000777700000000 ] - [ -0.0003943000000000, 0.0000000000000000, -0.0006812900000000 ] - [ -0.0011540000000000, 0.0000000000000000, -0.0045797800000000 ] - [ -0.0013440800000000, 0.0000000000000000, 0.0019132600000000 ] - [ -0.0006321700000000, 0.0000000000000000, -0.0010647700000000 ] - [ -0.0007516100000000, 0.0000000000000000, 0.0008793800000000 ] - [ 0.0012780800000000, -0.0017243700000000, -0.0020205300000000 ] - [ 0.0002488000000000, 0.0002707300000000, 0.0013985600000000 ] - [ 0.0003018900000000, -0.0005818400000000, -0.0000548900000000 ] - [ 0.0001927400000000, -0.0005574400000000, 0.0002097200000000 ] - [ -0.0002491200000000, -0.0001946600000000, 0.0013136400000000 ] - [ 0.0014733400000000, -0.0012251600000000, -0.0015615900000000 ] - [ -0.0001908100000000, -0.0002950700000000, 0.0006287200000000 ] - [ 0.0008236200000000, -0.0009515600000000, -0.0007416400000000 ] - [ 0.0008890600000000, -0.0012411700000000, 0.0002855300000000 ] - [ -0.0015588200000000, 0.0008040800000000, 0.0012154300000000 ] - [ 0.0001790900000000, 0.0022526200000000, 0.0010064300000000 ] - [ 0.0003016300000000, -0.0017278800000000, -0.0011327500000000 ] - [ 0.0003039800000000, 0.0001570400000000, -0.0006210300000000 ] - [ -0.0005619800000000, 0.0008927300000000, 0.0004462400000000 ] - [ -0.0001575700000000, 0.0007196300000000, 0.0000382900000000 ] - [ -0.0002720100000000, 0.0005164700000000, -0.0000020400000000 ] - [ 0.0013913400000000, -0.0006371900000000, -0.0009155300000000 ] - [ 0.0000339500000000, 0.0015057200000000, -0.0000894900000000 ] - [ 0.0013913400000000, 0.0006371900000000, -0.0009155300000000 ] - [ 0.0000339500000000, -0.0015057200000000, -0.0000894900000000 ] - [ 0.0001509100000000, -0.0001369700000000, -0.0003928000000000 ] - [ 0.0000628300000000, 0.0000839100000000, -0.0003140400000000 ] - [ 0.0001509100000000, 0.0001369700000000, -0.0003928000000000 ] - [ 0.0000628300000000, -0.0000839100000000, -0.0003140400000000 ] - [ 0.0012780800000000, 0.0017243700000000, -0.0020205300000000 ] - [ 0.0002488000000000, -0.0002707300000000, 0.0013985600000000 ] - [ 0.0003018900000000, 0.0005818400000000, -0.0000548900000000 ] - [ 0.0001927400000000, 0.0005574400000000, 0.0002097200000000 ] - [ -0.0002491200000000, 0.0001946600000000, 0.0013136400000000 ] - [ 0.0014733400000000, 0.0012251600000000, -0.0015615900000000 ] - [ -0.0001908100000000, 0.0002950700000000, 0.0006287200000000 ] - [ 0.0008236200000000, 0.0009515600000000, -0.0007416400000000 ] - [ 0.0001790900000000, -0.0022526200000000, 0.0010064300000000 ] - [ 0.0003016300000000, 0.0017278800000000, -0.0011327500000000 ] - [ 0.0008890600000000, 0.0012411700000000, 0.0002855300000000 ] - [ -0.0015588200000000, -0.0008040800000000, 0.0012154300000000 ] - [ -0.0001575700000000, -0.0007196300000000, 0.0000382900000000 ] - [ -0.0002720100000000, -0.0005164700000000, -0.0000020400000000 ] - [ 0.0003039800000000, -0.0001570400000000, -0.0006210300000000 ] - [ -0.0005619800000000, -0.0008927300000000, 0.0004462400000000 ] - [ 0.0009243200000000, 0.0000000000000000, -0.0006437800000000 ] - [ -0.0014638100000000, 0.0000000000000000, -0.0005125600000000 ] - [ -0.0007727800000000, 0.0000000000000000, -0.0000258200000000 ] - [ -0.0012196600000000, 0.0000000000000000, 0.0001203200000000 ] - [ -0.0001621700000000, 0.0000000000000000, 0.0008866700000000 ] - [ -0.0009191600000000, 0.0000000000000000, -0.0007761800000000 ] - [ -0.0009074300000000, 0.0000000000000000, 0.0002127500000000 ] - [ -0.0011040300000000, 0.0000000000000000, -0.0002877900000000 ] - [ 0.0000193600000000, 0.0000000000000000, -0.0001758400000000 ] - [ 0.0005913000000000, 0.0000000000000000, 0.0023046000000000 ] - [ 0.0000197700000000, 0.0000000000000000, 0.0001858600000000 ] - [ -0.0000970000000000, 0.0000000000000000, 0.0006724900000000 ] - [ -0.0009244700000000, 0.0000000000000000, 0.0015980600000000 ] - [ 0.0007204800000000, 0.0000000000000000, -0.0005822100000000 ] - [ -0.0003457800000000, 0.0000000000000000, 0.0007493800000000 ] - [ 0.0002819900000000, 0.0000000000000000, -0.0000945600000000 ] - [ 0.0013015500000000, -0.0006780200000000, 0.0001883800000000 ] - [ 0.0030249300000000, 0.0009736500000000, 0.0008082400000000 ] - [ 0.0013015500000000, 0.0006780200000000, 0.0001883800000000 ] - [ 0.0030249300000000, -0.0009736500000000, 0.0008082400000000 ] - [ 0.0008895600000000, -0.0001077500000000, -0.0000624500000000 ] - [ 0.0011683000000000, 0.0000685700000000, 0.0001515000000000 ] - [ 0.0008895600000000, 0.0001077500000000, -0.0000624500000000 ] - [ 0.0011683000000000, -0.0000685700000000, 0.0001515000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016690800000000, -0.0152031600000000, 0.0028590800000000 ] - [ 0.0036172400000000, -0.0012665300000000, 0.0048604300000000 ] - [ 0.0036116400000000, 0.0022720900000000, 0.0048621800000000 ] - [ 0.0036151000000000, 0.0011029100000000, 0.0048626600000000 ] - [ 0.0036124900000000, -0.0002470500000000, 0.0048659000000000 ] - [ 0.0036144000000000, -0.0001652800000000, 0.0048663200000000 ] - [ 0.0036128700000000, 0.0002670900000000, 0.0048644800000000 ] - [ 0.0036137500000000, 0.0001808300000000, 0.0048646100000000 ] - [ -0.0035159200000000, 0.0000181800000000, -0.0043640100000000 ] - [ -0.0039758000000000, 0.0011596300000000, -0.0024839800000000 ] - [ -0.0036367400000000, 0.0000124900000000, -0.0052951700000000 ] - [ -0.0031824600000000, 0.0011514300000000, -0.0071901300000000 ] - [ -0.0036551400000000, 0.0000423300000000, -0.0051803300000000 ] - [ -0.0034768400000000, 0.0003008900000000, -0.0058292800000000 ] - [ -0.0034983100000000, 0.0000416100000000, -0.0044728000000000 ] - [ -0.0036829700000000, 0.0003000400000000, -0.0038216000000000 ] - [ 0.0000658000000000, -0.0000196900000000, 0.0000322500000000 ] - [ 0.0001801500000000, -0.0000984500000000, -0.0000198400000000 ] - [ -0.0000048200000000, 0.0000291600000000, -0.0000078400000000 ] - [ -0.0001504500000000, 0.0001131800000000, 0.0000607100000000 ] - [ -0.0001104000000000, -0.0003279800000000, -0.0016523000000000 ] - [ 0.0023646600000000, -0.0011441400000000, -0.0024841600000000 ] - [ -0.0008139200000000, 0.0006205900000000, 0.0011137500000000 ] - [ -0.0014088800000000, 0.0006484900000000, 0.0014056100000000 ] - [ 0.0000414600000000, 0.0000298800000000, 0.0000423800000000 ] - [ 0.0001862400000000, 0.0001138600000000, -0.0000255400000000 ] - [ -0.0000374800000000, -0.0000221000000000, 0.0000102900000000 ] - [ -0.0001556900000000, -0.0001044700000000, 0.0000691500000000 ] - [ 0.0008483100000000, 0.0006184200000000, -0.0010744200000000 ] - [ 0.0014431700000000, 0.0006487600000000, -0.0013687400000000 ] - [ 0.0001489700000000, -0.0003323200000000, 0.0016960300000000 ] - [ -0.0023291200000000, -0.0011423900000000, 0.0025171600000000 ] - [ -0.0067680200000000, 0.0022335000000000, -0.0021507200000000 ] - [ 0.0076908900000000, 0.0048242800000000, -0.0033372900000000 ] - [ 0.0083392600000000, 0.0022551400000000, 0.0026402700000000 ] - [ -0.0062278400000000, 0.0048176200000000, 0.0038441300000000 ] - [ 0.0006261500000000, -0.0000018700000000, 0.0001461300000000 ] - [ 0.0008901700000000, -0.0000094800000000, 0.0003957500000000 ] - [ 0.0008863400000000, -0.0000080400000000, 0.0003471700000000 ] - [ 0.0006216000000000, -0.0000195000000000, 0.0000979200000000 ] - [ -0.0007340200000000, -0.0011488600000000, -0.0001887500000000 ] - [ -0.0006806500000000, -0.0015136600000000, -0.0001821600000000 ] - [ -0.0007184200000000, 0.0012964900000000, -0.0002113700000000 ] - [ -0.0007219500000000, 0.0012390000000000, -0.0002107000000000 ] - [ -0.0007214100000000, -0.0063523800000000, -0.0001995400000000 ] - [ -0.0007190100000000, -0.0032258800000000, -0.0002077200000000 ] - [ -0.0007192600000000, 0.0025482200000000, -0.0002010600000000 ] - [ -0.0007203000000000, 0.0022757500000000, -0.0002061200000000 ] - [ 0.0003421900000000, 0.0000177600000000, 0.0002595100000000 ] - [ 0.0002979900000000, 0.0000057600000000, 0.0002647900000000 ] - [ 0.0000771600000000, -0.0011656600000000, -0.0000959000000000 ] - [ 0.0002722300000000, -0.0010984800000000, -0.0001385500000000 ] - [ 0.0001220200000000, 0.0021760800000000, 0.0014416100000000 ] - [ -0.0007970600000000, 0.0010840000000000, 0.0018189700000000 ] - [ 0.0005189700000000, -0.0018603600000000, -0.0009494400000000 ] - [ 0.0008448500000000, -0.0017236400000000, -0.0010772200000000 ] - [ 0.0010446200000000, 0.0010305500000000, 0.0013050000000000 ] - [ -0.0004411200000000, 0.0021089100000000, 0.0007539100000000 ] - [ -0.0011215900000000, -0.0011282100000000, -0.0016990500000000 ] - [ 0.0008654800000000, -0.0015580900000000, -0.0020346500000000 ] - [ -0.0002097300000000, 0.0006799400000000, 0.0000191000000000 ] - [ -0.0003399000000000, 0.0006901000000000, -0.0000924200000000 ] - [ -0.0002187800000000, 0.0005321200000000, 0.0000087800000000 ] - [ -0.0000643200000000, 0.0005168700000000, 0.0001262300000000 ] - [ 0.0020450200000000, -0.0001635100000000, -0.0007341000000000 ] - [ -0.0021254300000000, -0.0010097800000000, 0.0007978300000000 ] - [ -0.0018873400000000, -0.0001646100000000, 0.0000694400000000 ] - [ 0.0022729000000000, -0.0009464800000000, -0.0014732600000000 ] - [ 0.0001123300000000, 0.0000061900000000, -0.0002779300000000 ] - [ 0.0000459500000000, 0.0000080500000000, -0.0002889000000000 ] - [ 0.0000636800000000, 0.0000074100000000, -0.0003981200000000 ] - [ 0.0001310900000000, 0.0000099900000000, -0.0003879500000000 ] - [ 0.0001521600000000, 0.0012158900000000, -0.0002184800000000 ] - [ 0.0001786500000000, 0.0012137800000000, -0.0002308200000000 ] - [ 0.0004100400000000, 0.0000218200000000, 0.0001537800000000 ] - [ 0.0002160000000000, 0.0000894800000000, 0.0001959700000000 ] - [ 0.0003701200000000, 0.0033696300000000, -0.0013876400000000 ] - [ 0.0012846300000000, 0.0022724300000000, -0.0017620000000000 ] - [ -0.0000307100000000, -0.0006687600000000, 0.0009995100000000 ] - [ -0.0003563100000000, -0.0005340000000000, 0.0011313100000000 ] - [ 0.0006994200000000, -0.0023117000000000, 0.0017117600000000 ] - [ -0.0012757100000000, -0.0027534400000000, 0.0020489600000000 ] - [ -0.0014741600000000, -0.0001514900000000, -0.0012971300000000 ] - [ -0.0000313700000000, 0.0009716700000000, -0.0007188600000000 ] - [ -0.0001984100000000, -0.0006586200000000, 0.0000057500000000 ] - [ -0.0003527800000000, -0.0006744800000000, -0.0001111300000000 ] - [ -0.0002038300000000, -0.0005050900000000, -0.0000107500000000 ] - [ -0.0000726500000000, -0.0004909600000000, 0.0000975100000000 ] - [ -0.0009872700000000, 0.0003170000000000, -0.0000139400000000 ] - [ -0.0010123200000000, 0.0009464300000000, -0.0000276700000000 ] - [ -0.0009942800000000, -0.0003402700000000, -0.0000107000000000 ] - [ -0.0009936900000000, -0.0006297700000000, -0.0000109600000000 ] - [ -0.0009965300000000, 0.0012288700000000, -0.0000148100000000 ] - [ -0.0009950100000000, 0.0007056400000000, -0.0000116900000000 ] - [ -0.0009950400000000, -0.0005088700000000, -0.0000136400000000 ] - [ -0.0009935000000000, -0.0005073400000000, -0.0000123700000000 ] - [ -0.0000462100000000, 0.0008489700000000, 0.0003684800000000 ] - [ -0.0000615600000000, 0.0006319100000000, 0.0003672000000000 ] - [ -0.0000533600000000, -0.0006079900000000, 0.0003741300000000 ] - [ -0.0000511300000000, -0.0004345700000000, 0.0003720400000000 ] - [ -0.0000513000000000, 0.0011008400000000, 0.0003694600000000 ] - [ -0.0000525200000000, 0.0006766900000000, 0.0003716900000000 ] - [ -0.0000512400000000, -0.0005425600000000, 0.0003694500000000 ] - [ -0.0000516300000000, -0.0004732900000000, 0.0003707900000000 ] - [ 0.0032811700000000, 0.0005696800000000, 0.0007991500000000 ] - [ -0.0013662000000000, -0.0004785300000000, 0.0000683300000000 ] - [ -0.0011775800000000, 0.0006620900000000, -0.0007062000000000 ] - [ 0.0034337300000000, -0.0004749700000000, 0.0000235000000000 ] - [ 0.0011214700000000, 0.0000084500000000, 0.0001557500000000 ] - [ 0.0009339700000000, 0.0000102400000000, 0.0000489700000000 ] - [ 0.0009364900000000, 0.0000096200000000, -0.0000637500000000 ] - [ 0.0011233400000000, 0.0000120600000000, 0.0000426200000000 ]- atom: 1 displacement: [ -0.0018484943313082, 0.0000000000000000, 0.0098276685285535 ] forces: - [ 0.0092521600000000, 0.0000000000000000, -0.0156376000000000 ] - [ 0.0031146600000000, 0.0000000000000000, 0.0037329100000000 ] - [ 0.0038481800000000, 0.0000000000000000, 0.0041801100000000 ] - [ 0.0034133100000000, 0.0000000000000000, 0.0044672700000000 ] - [ 0.0034241800000000, 0.0000000000000000, 0.0060658800000000 ] - [ 0.0037358000000000, 0.0000000000000000, 0.0058168200000000 ] - [ 0.0035175000000000, 0.0000000000000000, 0.0054047000000000 ] - [ 0.0036161800000000, 0.0000000000000000, 0.0052454700000000 ] - [ -0.0035967500000000, 0.0004461800000000, -0.0051392000000000 ] - [ -0.0036935100000000, 0.0023786800000000, -0.0038213600000000 ] - [ -0.0035967500000000, -0.0004461800000000, -0.0051392000000000 ] - [ -0.0036935100000000, -0.0023786800000000, -0.0038213600000000 ] - [ -0.0034969700000000, -0.0003343300000000, -0.0045326100000000 ] - [ -0.0039217200000000, -0.0010105500000000, -0.0036621300000000 ] - [ -0.0034969700000000, 0.0003343300000000, -0.0045326100000000 ] - [ -0.0039217200000000, 0.0010105500000000, -0.0036621300000000 ] - [ -0.0015086600000000, 0.0005230700000000, 0.0015736300000000 ] - [ -0.0008785000000000, 0.0004781100000000, 0.0013281300000000 ] - [ -0.0003460600000000, 0.0000940500000000, 0.0004437400000000 ] - [ -0.0000534000000000, -0.0000338200000000, 0.0002395900000000 ] - [ 0.0030690600000000, -0.0014661100000000, -0.0019822700000000 ] - [ -0.0011825400000000, 0.0001094000000000, 0.0010039000000000 ] - [ 0.0003859700000000, -0.0000461700000000, -0.0004478800000000 ] - [ -0.0002223800000000, 0.0001664600000000, 0.0001954200000000 ] - [ -0.0003460600000000, -0.0000940500000000, 0.0004437400000000 ] - [ -0.0000534000000000, 0.0000338200000000, 0.0002395900000000 ] - [ -0.0015086600000000, -0.0005230700000000, 0.0015736300000000 ] - [ -0.0008785000000000, -0.0004781100000000, 0.0013281300000000 ] - [ 0.0003859700000000, 0.0000461700000000, -0.0004478800000000 ] - [ -0.0002223800000000, -0.0001664600000000, 0.0001954200000000 ] - [ 0.0030690600000000, 0.0014661100000000, -0.0019822700000000 ] - [ -0.0011825400000000, -0.0001094000000000, 0.0010039000000000 ] - [ -0.0004672400000000, -0.0009279500000000, -0.0028423800000000 ] - [ 0.0002068700000000, -0.0047654600000000, -0.0054489900000000 ] - [ -0.0004672400000000, 0.0009279500000000, -0.0028423800000000 ] - [ 0.0002068700000000, 0.0047654600000000, -0.0054489900000000 ] - [ 0.0009918500000000, 0.0006181700000000, 0.0020211600000000 ] - [ 0.0008214500000000, 0.0007036000000000, 0.0021839400000000 ] - [ 0.0009918500000000, -0.0006181700000000, 0.0020211600000000 ] - [ 0.0008214500000000, -0.0007036000000000, 0.0021839400000000 ] - [ -0.0071524000000000, 0.0000000000000000, 0.0072758400000000 ] - [ 0.0074756100000000, 0.0000000000000000, 0.0039160700000000 ] - [ -0.0012207600000000, 0.0000000000000000, -0.0003899500000000 ] - [ -0.0000236300000000, 0.0000000000000000, -0.0005971400000000 ] - [ 0.0023880900000000, 0.0000000000000000, 0.0063321700000000 ] - [ -0.0025038100000000, 0.0000000000000000, 0.0006681900000000 ] - [ -0.0004971300000000, 0.0000000000000000, 0.0002480000000000 ] - [ -0.0010963600000000, 0.0000000000000000, 0.0003598300000000 ] - [ 0.0016367600000000, -0.0018838200000000, -0.0025814300000000 ] - [ -0.0008840400000000, -0.0019003700000000, -0.0018547900000000 ] - [ 0.0005508500000000, -0.0004729300000000, -0.0001957100000000 ] - [ 0.0001304800000000, -0.0004948300000000, -0.0000299300000000 ] - [ -0.0014191300000000, -0.0005264200000000, -0.0000315700000000 ] - [ 0.0009251100000000, -0.0007697400000000, -0.0005117300000000 ] - [ -0.0000356000000000, -0.0007451800000000, 0.0001337000000000 ] - [ 0.0003639900000000, -0.0007548700000000, -0.0001365200000000 ] - [ -0.0011021200000000, 0.0019749700000000, 0.0023367700000000 ] - [ -0.0012837100000000, 0.0016062400000000, 0.0028670200000000 ] - [ -0.0000665700000000, 0.0007704600000000, 0.0008441700000000 ] - [ -0.0002437700000000, -0.0003925700000000, 0.0007270500000000 ] - [ 0.0004004900000000, -0.0001993500000000, -0.0014300000000000 ] - [ 0.0000938100000000, -0.0001482700000000, -0.0013533100000000 ] - [ -0.0001327600000000, 0.0004734200000000, -0.0005729700000000 ] - [ -0.0002745100000000, 0.0005782500000000, -0.0006089500000000 ] - [ -0.0000840300000000, 0.0000374100000000, 0.0007747700000000 ] - [ -0.0008581000000000, 0.0005979900000000, 0.0020795200000000 ] - [ -0.0000840300000000, -0.0000374100000000, 0.0007747700000000 ] - [ -0.0008581000000000, -0.0005979900000000, 0.0020795200000000 ] - [ 0.0003054100000000, -0.0000623300000000, -0.0011547200000000 ] - [ 0.0004591500000000, -0.0001027400000000, -0.0012024600000000 ] - [ 0.0003054100000000, 0.0000623300000000, -0.0011547200000000 ] - [ 0.0004591500000000, 0.0001027400000000, -0.0012024600000000 ] - [ 0.0016367600000000, 0.0018838200000000, -0.0025814300000000 ] - [ -0.0008840400000000, 0.0019003700000000, -0.0018547900000000 ] - [ 0.0005508500000000, 0.0004729300000000, -0.0001957100000000 ] - [ 0.0001304800000000, 0.0004948300000000, -0.0000299300000000 ] - [ -0.0014191300000000, 0.0005264200000000, -0.0000315700000000 ] - [ 0.0009251100000000, 0.0007697400000000, -0.0005117300000000 ] - [ -0.0000356000000000, 0.0007451800000000, 0.0001337000000000 ] - [ 0.0003639900000000, 0.0007548700000000, -0.0001365200000000 ] - [ -0.0000665700000000, -0.0007704600000000, 0.0008441700000000 ] - [ -0.0002437700000000, 0.0003925700000000, 0.0007270500000000 ] - [ -0.0011021200000000, -0.0019749700000000, 0.0023367700000000 ] - [ -0.0012837100000000, -0.0016062400000000, 0.0028670200000000 ] - [ -0.0001327600000000, -0.0004734200000000, -0.0005729700000000 ] - [ -0.0002745100000000, -0.0005782500000000, -0.0006089500000000 ] - [ 0.0004004900000000, 0.0001993500000000, -0.0014300000000000 ] - [ 0.0000938100000000, 0.0001482700000000, -0.0013533100000000 ] - [ 0.0013048200000000, 0.0000000000000000, -0.0006376100000000 ] - [ -0.0026256700000000, 0.0000000000000000, 0.0026269100000000 ] - [ -0.0007707100000000, 0.0000000000000000, 0.0001874700000000 ] - [ -0.0014218000000000, 0.0000000000000000, 0.0001513700000000 ] - [ -0.0030274600000000, 0.0000000000000000, -0.0014936200000000 ] - [ -0.0000560600000000, 0.0000000000000000, -0.0007397300000000 ] - [ -0.0012155900000000, 0.0000000000000000, -0.0002285600000000 ] - [ -0.0008536600000000, 0.0000000000000000, -0.0002207600000000 ] - [ 0.0002194200000000, 0.0000000000000000, 0.0007219600000000 ] - [ -0.0023022200000000, 0.0000000000000000, 0.0006857400000000 ] - [ 0.0001553900000000, 0.0000000000000000, 0.0004671700000000 ] - [ -0.0003212700000000, 0.0000000000000000, 0.0007180600000000 ] - [ 0.0001490500000000, 0.0000000000000000, -0.0012388800000000 ] - [ 0.0006660000000000, 0.0000000000000000, -0.0004015000000000 ] - [ -0.0001570800000000, 0.0000000000000000, 0.0001922200000000 ] - [ 0.0001206500000000, 0.0000000000000000, 0.0000197400000000 ] - [ 0.0014234200000000, 0.0001702600000000, 0.0014890600000000 ] - [ 0.0019447300000000, 0.0007387600000000, 0.0014689600000000 ] - [ 0.0014234200000000, -0.0001702600000000, 0.0014890600000000 ] - [ 0.0019447300000000, -0.0007387600000000, 0.0014689600000000 ] - [ 0.0007281400000000, -0.0000670400000000, -0.0005983300000000 ] - [ 0.0007368400000000, -0.0001104400000000, -0.0005205300000000 ] - [ 0.0007281400000000, 0.0000670400000000, -0.0005983300000000 ] - [ 0.0007368400000000, 0.0001104400000000, -0.0005205300000000 ]- atom: 1 displacement: [ 0.0018484943313082, 0.0000000000000000, -0.0098276685285535 ] forces: - [ -0.0044399600000000, 0.0000000000000000, 0.0199649200000000 ] - [ 0.0041034400000000, 0.0000000000000000, 0.0060052700000000 ] - [ 0.0033628900000000, 0.0000000000000000, 0.0055583700000000 ] - [ 0.0038017600000000, 0.0000000000000000, 0.0052719100000000 ] - [ 0.0037867000000000, 0.0000000000000000, 0.0036763800000000 ] - [ 0.0034798700000000, 0.0000000000000000, 0.0039258500000000 ] - [ 0.0036951100000000, 0.0000000000000000, 0.0043356600000000 ] - [ 0.0035981400000000, 0.0000000000000000, 0.0044944900000000 ] - [ -0.0035708100000000, -0.0004462400000000, -0.0044953300000000 ] - [ -0.0034812100000000, -0.0023911000000000, -0.0058137500000000 ] - [ -0.0035708100000000, 0.0004462400000000, -0.0044953300000000 ] - [ -0.0034812100000000, 0.0023911000000000, -0.0058137500000000 ] - [ -0.0036713300000000, 0.0003316300000000, -0.0051062200000000 ] - [ -0.0032536500000000, 0.0010003000000000, -0.0059716000000000 ] - [ -0.0036713300000000, -0.0003316300000000, -0.0051062200000000 ] - [ -0.0032536500000000, -0.0010003000000000, -0.0059716000000000 ] - [ 0.0015332000000000, -0.0005244500000000, -0.0015251500000000 ] - [ 0.0008948000000000, -0.0004760400000000, -0.0012715100000000 ] - [ 0.0003651500000000, -0.0000929800000000, -0.0003899600000000 ] - [ 0.0000718700000000, 0.0000348700000000, -0.0001853200000000 ] - [ -0.0030182800000000, 0.0014524600000000, 0.0020030000000000 ] - [ 0.0012092500000000, -0.0001182200000000, -0.0009655600000000 ] - [ -0.0003601800000000, 0.0000449600000000, 0.0004923500000000 ] - [ 0.0002505800000000, -0.0001686500000000, -0.0001523000000000 ] - [ 0.0003651500000000, 0.0000929800000000, -0.0003899600000000 ] - [ 0.0000718700000000, -0.0000348700000000, -0.0001853200000000 ] - [ 0.0015332000000000, 0.0005244500000000, -0.0015251500000000 ] - [ 0.0008948000000000, 0.0004760400000000, -0.0012715100000000 ] - [ -0.0003601800000000, -0.0000449600000000, 0.0004923500000000 ] - [ 0.0002505800000000, 0.0001686500000000, -0.0001523000000000 ] - [ -0.0030182800000000, -0.0014524600000000, 0.0020030000000000 ] - [ 0.0012092500000000, 0.0001182200000000, -0.0009655600000000 ] - [ 0.0019311300000000, 0.0009240800000000, 0.0033246800000000 ] - [ 0.0013220600000000, 0.0047738100000000, 0.0059006900000000 ] - [ 0.0019311300000000, -0.0009240800000000, 0.0033246800000000 ] - [ 0.0013220600000000, -0.0047738100000000, 0.0059006900000000 ] - [ 0.0005060500000000, -0.0006238100000000, -0.0015181400000000 ] - [ 0.0006733300000000, -0.0007054400000000, -0.0016813600000000 ] - [ 0.0005060500000000, 0.0006238100000000, -0.0015181400000000 ] - [ 0.0006733300000000, 0.0007054400000000, -0.0016813600000000 ] - [ 0.0057660000000000, 0.0000000000000000, -0.0077339600000000 ] - [ -0.0089349200000000, 0.0000000000000000, -0.0043202300000000 ] - [ -0.0002314500000000, 0.0000000000000000, 0.0000015000000000 ] - [ -0.0014296700000000, 0.0000000000000000, 0.0002081000000000 ] - [ -0.0037964100000000, 0.0000000000000000, -0.0066675900000000 ] - [ 0.0010256300000000, 0.0000000000000000, -0.0010790800000000 ] - [ -0.0009541000000000, 0.0000000000000000, -0.0006480500000000 ] - [ -0.0003604300000000, 0.0000000000000000, -0.0007641200000000 ] - [ -0.0011707200000000, 0.0006980000000000, 0.0026560800000000 ] - [ 0.0013521200000000, 0.0007029800000000, 0.0019183800000000 ] - [ -0.0000788400000000, -0.0007178800000000, 0.0002616800000000 ] - [ 0.0003417000000000, -0.0006957100000000, 0.0000957200000000 ] - [ 0.0018917800000000, -0.0006653600000000, 0.0001425000000000 ] - [ -0.0004564200000000, -0.0004122100000000, 0.0005932300000000 ] - [ 0.0005044000000000, -0.0004429600000000, -0.0000593900000000 ] - [ 0.0001042100000000, -0.0004312600000000, 0.0002127700000000 ] - [ 0.0006699400000000, -0.0007768500000000, -0.0022830000000000 ] - [ 0.0007936400000000, -0.0004537200000000, -0.0027962500000000 ] - [ -0.0003580400000000, 0.0004216900000000, -0.0008041000000000 ] - [ -0.0001884600000000, 0.0015882500000000, -0.0006805100000000 ] - [ -0.0008302800000000, 0.0013905500000000, 0.0014629600000000 ] - [ -0.0005188200000000, 0.0013368000000000, 0.0013821500000000 ] - [ -0.0002946800000000, 0.0007122400000000, 0.0006012300000000 ] - [ -0.0001524000000000, 0.0006085800000000, 0.0006379300000000 ] - [ 0.0002501200000000, -0.0000346200000000, -0.0014282300000000 ] - [ 0.0009970700000000, -0.0006139100000000, -0.0027173300000000 ] - [ 0.0002501200000000, 0.0000346200000000, -0.0014282300000000 ] - [ 0.0009970700000000, 0.0006139100000000, -0.0027173300000000 ] - [ -0.0001434800000000, 0.0000640300000000, 0.0004989400000000 ] - [ -0.0002956100000000, 0.0001034300000000, 0.0005461200000000 ] - [ -0.0001434800000000, -0.0000640300000000, 0.0004989400000000 ] - [ -0.0002956100000000, -0.0001034300000000, 0.0005461200000000 ] - [ -0.0011707200000000, -0.0006980000000000, 0.0026560800000000 ] - [ 0.0013521200000000, -0.0007029800000000, 0.0019183800000000 ] - [ -0.0000788400000000, 0.0007178800000000, 0.0002616800000000 ] - [ 0.0003417000000000, 0.0006957100000000, 0.0000957200000000 ] - [ 0.0018917800000000, 0.0006653600000000, 0.0001425000000000 ] - [ -0.0004564200000000, 0.0004122100000000, 0.0005932300000000 ] - [ 0.0005044000000000, 0.0004429600000000, -0.0000593900000000 ] - [ 0.0001042100000000, 0.0004312600000000, 0.0002127700000000 ] - [ -0.0003580400000000, -0.0004216900000000, -0.0008041000000000 ] - [ -0.0001884600000000, -0.0015882500000000, -0.0006805100000000 ] - [ 0.0006699400000000, 0.0007768500000000, -0.0022830000000000 ] - [ 0.0007936400000000, 0.0004537200000000, -0.0027962500000000 ] - [ -0.0002946800000000, -0.0007122400000000, 0.0006012300000000 ] - [ -0.0001524000000000, -0.0006085800000000, 0.0006379300000000 ] - [ -0.0008302800000000, -0.0013905500000000, 0.0014629600000000 ] - [ -0.0005188200000000, -0.0013368000000000, 0.0013821500000000 ] - [ -0.0033282500000000, 0.0000000000000000, 0.0006196000000000 ] - [ 0.0005051700000000, 0.0000000000000000, -0.0028677600000000 ] - [ -0.0012448300000000, 0.0000000000000000, -0.0002094800000000 ] - [ -0.0005917200000000, 0.0000000000000000, -0.0001753000000000 ] - [ 0.0009968100000000, 0.0000000000000000, 0.0014658300000000 ] - [ -0.0019416100000000, 0.0000000000000000, 0.0007200000000000 ] - [ -0.0007977700000000, 0.0000000000000000, 0.0002110100000000 ] - [ -0.0011555600000000, 0.0000000000000000, 0.0002046200000000 ] - [ -0.0002122000000000, 0.0000000000000000, -0.0001006100000000 ] - [ 0.0021908900000000, 0.0000000000000000, 0.0000562200000000 ] - [ -0.0002725600000000, 0.0000000000000000, 0.0002844200000000 ] - [ 0.0002033100000000, 0.0000000000000000, 0.0000333100000000 ] - [ -0.0002714900000000, 0.0000000000000000, 0.0019855000000000 ] - [ -0.0007800300000000, 0.0000000000000000, 0.0011608900000000 ] - [ 0.0000368900000000, 0.0000000000000000, 0.0005663400000000 ] - [ -0.0002402100000000, 0.0000000000000000, 0.0007397200000000 ] - [ 0.0006473100000000, -0.0001717500000000, -0.0013613200000000 ] - [ 0.0001025500000000, -0.0007378000000000, -0.0013448500000000 ] - [ 0.0006473100000000, 0.0001717500000000, -0.0013613200000000 ] - [ 0.0001025500000000, 0.0007378000000000, -0.0013448500000000 ] - [ 0.0013266100000000, 0.0000685600000000, 0.0007181200000000 ] - [ 0.0013196300000000, 0.0001111200000000, 0.0006407800000000 ] - [ 0.0013266100000000, -0.0000685600000000, 0.0007181200000000 ] - [ 0.0013196300000000, -0.0001111200000000, 0.0006407800000000 ]- atom: 17 displacement: [ 0.0099995491105751, 0.0000000000000000, -0.0000949609666999 ] forces: - [ 0.0046054100000000, 0.0000521200000000, 0.0034878200000000 ] - [ 0.0028834200000000, 0.0001693300000000, 0.0038115700000000 ] - [ 0.0036666200000000, -0.0000233400000000, 0.0045089300000000 ] - [ 0.0034755600000000, -0.0001696100000000, 0.0047741000000000 ] - [ 0.0040362100000000, -0.0001079600000000, 0.0080620900000000 ] - [ 0.0059706600000000, 0.0023714400000000, 0.0040837300000000 ] - [ 0.0028691000000000, -0.0008438700000000, 0.0051099200000000 ] - [ 0.0046764500000000, -0.0014416500000000, 0.0048247100000000 ] - [ -0.0031538100000000, -0.0001178000000000, -0.0016192000000000 ] - [ -0.0012160500000000, 0.0023765900000000, -0.0056068800000000 ] - [ -0.0043228000000000, -0.0008432800000000, -0.0045821900000000 ] - [ -0.0025141700000000, -0.0014419400000000, -0.0048676900000000 ] - [ -0.0025867300000000, 0.0000525600000000, -0.0062035600000000 ] - [ -0.0043071000000000, 0.0001690800000000, -0.0058808500000000 ] - [ -0.0035249100000000, -0.0000238400000000, -0.0051826500000000 ] - [ -0.0037154300000000, -0.0001694800000000, -0.0049182100000000 ] - [ -0.0576180200000000, -0.0111839400000000, -0.0027230400000000 ] - [ 0.0002043200000000, -0.0000040300000000, 0.0003121300000000 ] - [ -0.0004082600000000, -0.0002787400000000, 0.0005870100000000 ] - [ 0.0000364100000000, -0.0000377700000000, 0.0002493500000000 ] - [ 0.0007189100000000, -0.0002347300000000, -0.0010606600000000 ] - [ 0.0002604000000000, -0.0000468400000000, -0.0004291100000000 ] - [ 0.0007712700000000, -0.0003085800000000, -0.0008980400000000 ] - [ 0.0004477100000000, -0.0001927600000000, -0.0005181700000000 ] - [ -0.0059292500000000, -0.0019964400000000, 0.0059770300000000 ] - [ 0.0000443200000000, -0.0000091200000000, 0.0003531100000000 ] - [ -0.0059275900000000, -0.0020007100000000, 0.0059767500000000 ] - [ 0.0000447500000000, -0.0000089600000000, 0.0003523800000000 ] - [ 0.0007522600000000, 0.0002727700000000, -0.0009873400000000 ] - [ 0.0003526300000000, 0.0001188900000000, -0.0004720900000000 ] - [ 0.0007523900000000, 0.0002728500000000, -0.0009873900000000 ] - [ 0.0003531200000000, 0.0001191900000000, -0.0004726300000000 ] - [ 0.0001100000000000, 0.0009421100000000, -0.0022317000000000 ] - [ 0.0014031300000000, 0.0004381200000000, -0.0007057800000000 ] - [ 0.0003732200000000, -0.0009756000000000, -0.0019422900000000 ] - [ 0.0007442300000000, -0.0004339600000000, -0.0006644400000000 ] - [ -0.0211914000000000, -0.0435011600000000, -0.0198090800000000 ] - [ 0.0028336200000000, 0.0010530700000000, 0.0026714600000000 ] - [ 0.0000575300000000, -0.0022098000000000, 0.0016155000000000 ] - [ 0.0019343500000000, -0.0007997000000000, 0.0012194500000000 ] - [ -0.0226625500000000, -0.0436527000000000, -0.0206039100000000 ] - [ 0.0013638600000000, 0.0010570500000000, 0.0022213600000000 ] - [ -0.0014218900000000, -0.0022060000000000, 0.0011624300000000 ] - [ 0.0004621200000000, -0.0008015900000000, 0.0007698800000000 ] - [ -0.0013649400000000, 0.0009427900000000, -0.0026801200000000 ] - [ -0.0000755500000000, 0.0004389500000000, -0.0011556700000000 ] - [ -0.0011020000000000, -0.0009760700000000, -0.0023926100000000 ] - [ -0.0007312800000000, -0.0004349000000000, -0.0011144300000000 ] - [ 0.0411301000000000, 0.0224768700000000, 0.0040225300000000 ] - [ -0.0006379300000000, -0.0015056700000000, -0.0012414500000000 ] - [ 0.0005451500000000, 0.0001231900000000, -0.0002748500000000 ] - [ 0.0000570100000000, -0.0003753900000000, -0.0004040700000000 ] - [ 0.0000663100000000, -0.0004858600000000, 0.0011395100000000 ] - [ -0.0000696700000000, -0.0007085700000000, 0.0005338900000000 ] - [ 0.0000287700000000, 0.0001992000000000, 0.0011449200000000 ] - [ 0.0000635200000000, -0.0001755100000000, 0.0006205400000000 ] - [ -0.0003858500000000, 0.0007031300000000, 0.0011190900000000 ] - [ -0.0005227800000000, 0.0004803200000000, 0.0005131800000000 ] - [ -0.0004232600000000, 0.0013882400000000, 0.0011240300000000 ] - [ -0.0003891200000000, 0.0010130500000000, 0.0005996700000000 ] - [ 0.0427276700000000, 0.0232804000000000, 0.0020631700000000 ] - [ -0.0010877000000000, -0.0003142400000000, -0.0012610900000000 ] - [ 0.0000925000000000, 0.0013138700000000, -0.0002956300000000 ] - [ -0.0003950000000000, 0.0008134400000000, -0.0004247800000000 ] - [ 0.0001538400000000, -0.0005102400000000, 0.0005754300000000 ] - [ -0.0004942200000000, -0.0001470000000000, 0.0001915900000000 ] - [ -0.0000641100000000, 0.0004792300000000, 0.0005400500000000 ] - [ -0.0002173500000000, 0.0001517200000000, 0.0000551800000000 ] - [ -0.0044848300000000, 0.0111358100000000, 0.0135114900000000 ] - [ -0.0000979100000000, -0.0003192500000000, -0.0008108800000000 ] - [ 0.0007755600000000, 0.0003973900000000, -0.0012407400000000 ] - [ -0.0001370200000000, 0.0002954100000000, -0.0005433000000000 ] - [ 0.0030887100000000, 0.0122667600000000, -0.0036817600000000 ] - [ -0.0001703400000000, 0.0006381500000000, -0.0008646200000000 ] - [ 0.0029454300000000, 0.0018724700000000, -0.0035351800000000 ] - [ -0.0002003800000000, 0.0011053400000000, -0.0007133900000000 ] - [ 0.0001069100000000, -0.0001994500000000, 0.0012785600000000 ] - [ 0.0000073500000000, 0.0002836800000000, 0.0006580500000000 ] - [ -0.0000305400000000, 0.0004920500000000, 0.0010271000000000 ] - [ -0.0000033700000000, 0.0005965100000000, 0.0004913600000000 ] - [ -0.0003452000000000, -0.0013881600000000, 0.0012583300000000 ] - [ -0.0004459700000000, -0.0009038200000000, 0.0006370300000000 ] - [ -0.0004828700000000, -0.0006974800000000, 0.0010068200000000 ] - [ -0.0004559600000000, -0.0005935700000000, 0.0004714600000000 ] - [ 0.0026398100000000, 0.0110697700000000, -0.0037003700000000 ] - [ -0.0006216600000000, -0.0005503900000000, -0.0008854900000000 ] - [ 0.0024936700000000, 0.0006851900000000, -0.0035556100000000 ] - [ -0.0006521400000000, -0.0000854700000000, -0.0007328500000000 ] - [ 0.0099589100000000, 0.0049403600000000, 0.0046646600000000 ] - [ -0.0026264000000000, -0.0001058700000000, -0.0006709500000000 ] - [ -0.0006324000000000, 0.0005190400000000, -0.0003524500000000 ] - [ -0.0018283000000000, 0.0000455900000000, -0.0003458400000000 ] - [ -0.0005003600000000, -0.0004027500000000, 0.0008332300000000 ] - [ -0.0012778000000000, -0.0001660200000000, -0.0001351500000000 ] - [ -0.0007158000000000, 0.0004397200000000, 0.0006663500000000 ] - [ -0.0009022500000000, 0.0001570200000000, 0.0002163500000000 ] - [ -0.0045922800000000, 0.0111274700000000, 0.0142544900000000 ] - [ -0.0002400200000000, -0.0003208700000000, -0.0001027500000000 ] - [ 0.0006350400000000, 0.0003962000000000, -0.0005307000000000 ] - [ -0.0002775200000000, 0.0002962800000000, 0.0001646200000000 ] - [ 0.0000120900000000, -0.0005110400000000, 0.0012843400000000 ] - [ -0.0006325000000000, -0.0001477600000000, 0.0008991100000000 ] - [ -0.0002035200000000, 0.0004795100000000, 0.0012476800000000 ] - [ -0.0003563500000000, 0.0001518800000000, 0.0007627700000000 ] - [ 0.0015241000000000, -0.0004021100000000, 0.0008929600000000 ] - [ 0.0007449300000000, -0.0001655500000000, -0.0000774800000000 ] - [ 0.0013074600000000, 0.0004395600000000, 0.0007252100000000 ] - [ 0.0011220300000000, 0.0001569200000000, 0.0002756600000000 ] - [ 0.0119580900000000, 0.0049413800000000, 0.0046823600000000 ] - [ -0.0006007800000000, -0.0001052800000000, -0.0006117700000000 ] - [ 0.0013888000000000, 0.0005190700000000, -0.0002943600000000 ] - [ 0.0001974700000000, 0.0000460600000000, -0.0002862700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0032836500000000, -0.0000271500000000, 0.0053191000000000 ] - [ 0.0038965700000000, -0.0001081500000000, 0.0053885900000000 ] - [ 0.0036011900000000, 0.0000239100000000, 0.0049430400000000 ] - [ 0.0036158100000000, 0.0001083300000000, 0.0048152100000000 ] - [ 0.0028444500000000, -0.0003420600000000, 0.0032168700000000 ] - [ 0.0030182600000000, -0.0011545100000000, 0.0048510000000000 ] - [ 0.0039795100000000, 0.0006156200000000, 0.0048707800000000 ] - [ 0.0031576100000000, 0.0006459800000000, 0.0049322900000000 ] - [ -0.0043465100000000, -0.0003320800000000, -0.0064755200000000 ] - [ -0.0041765100000000, -0.0011482600000000, -0.0048383200000000 ] - [ -0.0032103600000000, 0.0006141300000000, -0.0048181000000000 ] - [ -0.0040344800000000, 0.0006419700000000, -0.0047569600000000 ] - [ -0.0039111000000000, -0.0000275100000000, -0.0043696800000000 ] - [ -0.0032930800000000, -0.0001079400000000, -0.0043015600000000 ] - [ -0.0035895200000000, 0.0000238900000000, -0.0047501700000000 ] - [ -0.0035759400000000, 0.0001078900000000, -0.0048779400000000 ] - [ -0.0112739600000000, -0.0638633100000000, -0.0075638600000000 ] - [ -0.0000063000000000, -0.0000382500000000, -0.0002166700000000 ] - [ -0.0002767600000000, 0.0003466900000000, 0.0002181700000000 ] - [ -0.0000386800000000, 0.0000345500000000, -0.0000700700000000 ] - [ -0.0002313000000000, 0.0000793100000000, 0.0003519900000000 ] - [ -0.0000456200000000, -0.0000137900000000, 0.0001205800000000 ] - [ -0.0003051000000000, 0.0001202900000000, 0.0003371600000000 ] - [ -0.0001905200000000, 0.0000876400000000, 0.0002129300000000 ] - [ 0.0019822700000000, 0.0022241200000000, -0.0019357000000000 ] - [ 0.0000072900000000, 0.0000109500000000, -0.0001678500000000 ] - [ 0.0019785000000000, 0.0022440200000000, -0.0019290100000000 ] - [ 0.0000072600000000, 0.0000108600000000, -0.0001672300000000 ] - [ -0.0002696000000000, -0.0000996500000000, 0.0003462600000000 ] - [ -0.0001175500000000, -0.0000367100000000, 0.0001664900000000 ] - [ -0.0002691100000000, -0.0000994800000000, 0.0003453200000000 ] - [ -0.0001171000000000, -0.0000365600000000, 0.0001658900000000 ] - [ 0.0010146200000000, -0.0004254500000000, 0.0009954600000000 ] - [ 0.0004276000000000, -0.0002174800000000, 0.0005617100000000 ] - [ 0.0007293400000000, 0.0004159300000000, 0.0010650300000000 ] - [ 0.0008079100000000, 0.0002161500000000, 0.0005897800000000 ] - [ -0.0057259100000000, 0.0229682300000000, 0.0226763900000000 ] - [ 0.0001401300000000, -0.0006033300000000, -0.0007846900000000 ] - [ 0.0008473300000000, 0.0026537800000000, -0.0013456500000000 ] - [ 0.0002374800000000, 0.0005109700000000, -0.0001357000000000 ] - [ -0.0073796300000000, 0.0228339200000000, 0.0224894500000000 ] - [ -0.0013340400000000, -0.0006048100000000, -0.0012310100000000 ] - [ -0.0006251000000000, 0.0026358800000000, -0.0017756100000000 ] - [ -0.0012398100000000, 0.0005112600000000, -0.0005854200000000 ] - [ -0.0004620700000000, -0.0004273000000000, 0.0005437300000000 ] - [ -0.0010478600000000, -0.0002183000000000, 0.0001107000000000 ] - [ -0.0007446100000000, 0.0004185500000000, 0.0006158600000000 ] - [ -0.0006686500000000, 0.0002167600000000, 0.0001397400000000 ] - [ 0.0131395300000000, 0.0156240500000000, -0.0114746000000000 ] - [ 0.0004975700000000, -0.0001057200000000, 0.0005727500000000 ] - [ 0.0002669500000000, -0.0016799500000000, -0.0001682900000000 ] - [ 0.0002838400000000, -0.0007823900000000, 0.0001231900000000 ] - [ 0.0002770300000000, -0.0005697800000000, -0.0003315800000000 ] - [ 0.0003194400000000, -0.0005080200000000, -0.0001632200000000 ] - [ 0.0003266600000000, -0.0009316500000000, -0.0004357800000000 ] - [ 0.0002819900000000, -0.0007930700000000, -0.0002420000000000 ] - [ -0.0001758300000000, 0.0006171900000000, -0.0003529500000000 ] - [ -0.0001335000000000, 0.0006797900000000, -0.0001844100000000 ] - [ -0.0001250700000000, 0.0002580900000000, -0.0004561000000000 ] - [ -0.0001706500000000, 0.0003959000000000, -0.0002626000000000 ] - [ 0.0121877700000000, 0.0165616500000000, -0.0110102700000000 ] - [ 0.0000453700000000, 0.0010839600000000, 0.0005534500000000 ] - [ -0.0001859300000000, -0.0004969600000000, -0.0001872800000000 ] - [ -0.0001687700000000, 0.0004067400000000, 0.0001026500000000 ] - [ 0.0000031100000000, 0.0002531800000000, -0.0005974500000000 ] - [ 0.0002967700000000, 0.0000653200000000, -0.0005606400000000 ] - [ 0.0001858800000000, -0.0002332900000000, -0.0007450600000000 ] - [ 0.0001553400000000, -0.0000691200000000, -0.0005149400000000 ] - [ 0.0018820000000000, -0.0031566200000000, -0.0028705200000000 ] - [ 0.0000123700000000, 0.0001879100000000, -0.0001670300000000 ] - [ -0.0003678000000000, -0.0004240700000000, 0.0003001500000000 ] - [ 0.0001700400000000, -0.0001825200000000, -0.0002850700000000 ] - [ 0.0008970800000000, -0.0024915800000000, -0.0002552200000000 ] - [ 0.0002920400000000, 0.0006321600000000, 0.0003364400000000 ] - [ -0.0007373100000000, -0.0012423700000000, 0.0020054100000000 ] - [ 0.0004197600000000, 0.0003136500000000, 0.0003244300000000 ] - [ 0.0002597700000000, 0.0008928700000000, -0.0004209800000000 ] - [ 0.0003076300000000, 0.0007123400000000, -0.0002381300000000 ] - [ 0.0003481200000000, 0.0006131500000000, -0.0003539800000000 ] - [ 0.0002903500000000, 0.0005880200000000, -0.0001634900000000 ] - [ -0.0001927200000000, -0.0002956800000000, -0.0004423000000000 ] - [ -0.0001450900000000, -0.0004756700000000, -0.0002593200000000 ] - [ -0.0001043700000000, -0.0005750000000000, -0.0003736600000000 ] - [ -0.0001627500000000, -0.0006008700000000, -0.0001834400000000 ] - [ 0.0004358500000000, -0.0036750900000000, -0.0002349300000000 ] - [ -0.0001594000000000, -0.0005587500000000, 0.0003183800000000 ] - [ -0.0011875800000000, -0.0024482100000000, 0.0019940000000000 ] - [ -0.0000332000000000, -0.0008752600000000, 0.0003040400000000 ] - [ -0.0036684700000000, -0.0017807600000000, -0.0034925400000000 ] - [ -0.0004642700000000, 0.0000743600000000, 0.0001999700000000 ] - [ -0.0009089600000000, -0.0005538800000000, 0.0003380900000000 ] - [ -0.0006886400000000, -0.0000381600000000, 0.0000966900000000 ] - [ -0.0012119400000000, 0.0001663800000000, -0.0003263300000000 ] - [ -0.0008776000000000, 0.0000906800000000, 0.0000714800000000 ] - [ -0.0010725400000000, -0.0001632700000000, -0.0002747100000000 ] - [ -0.0010948200000000, -0.0000874000000000, -0.0001581500000000 ] - [ 0.0017189900000000, -0.0030813700000000, -0.0020491500000000 ] - [ -0.0001265600000000, 0.0001878800000000, 0.0005393400000000 ] - [ -0.0005055100000000, -0.0004215200000000, 0.0010023700000000 ] - [ 0.0000315900000000, -0.0001830300000000, 0.0004213200000000 ] - [ -0.0001371900000000, 0.0002538200000000, 0.0001120100000000 ] - [ 0.0001570100000000, 0.0000652900000000, 0.0001477600000000 ] - [ 0.0000463400000000, -0.0002346000000000, -0.0000380300000000 ] - [ 0.0000169500000000, -0.0000696300000000, 0.0001920400000000 ] - [ 0.0008123100000000, 0.0001656500000000, -0.0002680800000000 ] - [ 0.0011480300000000, 0.0000907400000000, 0.0001305700000000 ] - [ 0.0009523200000000, -0.0001615900000000, -0.0002150600000000 ] - [ 0.0009301000000000, -0.0000869800000000, -0.0000990200000000 ] - [ -0.0016767000000000, -0.0018162600000000, -0.0034415200000000 ] - [ 0.0015620100000000, 0.0000748000000000, 0.0002603100000000 ] - [ 0.0011197600000000, -0.0005564300000000, 0.0004019700000000 ] - [ 0.0013355400000000, -0.0000385500000000, 0.0001562500000000 ]- atom: 17 displacement: [ -0.0018484943313082, 0.0000000000000000, 0.0098276685285535 ] forces: - [ 0.0024971400000000, 0.0000007700000000, 0.0064791100000000 ] - [ 0.0044959900000000, -0.0000754300000000, 0.0064904100000000 ] - [ 0.0035168900000000, -0.0000197000000000, 0.0053197200000000 ] - [ 0.0037257900000000, 0.0000743300000000, 0.0050991400000000 ] - [ 0.0052892900000000, -0.0016232200000000, 0.0026036500000000 ] - [ 0.0007412600000000, -0.0028970500000000, 0.0055208700000000 ] - [ 0.0045408500000000, 0.0012311500000000, 0.0044874100000000 ] - [ 0.0023554900000000, 0.0016311600000000, 0.0048327100000000 ] - [ -0.0018971600000000, -0.0016249600000000, -0.0070959300000000 ] - [ -0.0064496000000000, -0.0028942100000000, -0.0041718300000000 ] - [ -0.0026491800000000, 0.0012320000000000, -0.0052053200000000 ] - [ -0.0048345300000000, 0.0016285900000000, -0.0048583800000000 ] - [ -0.0046970600000000, 0.0000003500000000, -0.0032102200000000 ] - [ -0.0026951300000000, -0.0000755600000000, -0.0032040800000000 ] - [ -0.0036740900000000, -0.0000197900000000, -0.0043727700000000 ] - [ -0.0034655100000000, 0.0000742700000000, -0.0045937500000000 ] - [ 0.0075380500000000, -0.0053765300000000, -0.0473596000000000 ] - [ 0.0002591900000000, -0.0002119100000000, -0.0009979400000000 ] - [ 0.0006432900000000, 0.0002655400000000, -0.0009405100000000 ] - [ 0.0002323800000000, -0.0000618600000000, -0.0005853500000000 ] - [ -0.0011600900000000, 0.0003888600000000, 0.0015703200000000 ] - [ -0.0004624300000000, 0.0001270600000000, 0.0007604500000000 ] - [ -0.0010134900000000, 0.0003880300000000, 0.0011755700000000 ] - [ -0.0005848600000000, 0.0002447000000000, 0.0007152400000000 ] - [ 0.0068932800000000, 0.0022682700000000, -0.0079361900000000 ] - [ 0.0003299700000000, 0.0001661900000000, -0.0008560200000000 ] - [ 0.0068953800000000, 0.0022617300000000, -0.0079426100000000 ] - [ 0.0003300700000000, 0.0001662200000000, -0.0008560700000000 ] - [ -0.0010964500000000, -0.0003899000000000, 0.0013821500000000 ] - [ -0.0005225200000000, -0.0001852300000000, 0.0007363600000000 ] - [ -0.0010954800000000, -0.0003895600000000, 0.0013809700000000 ] - [ -0.0005219000000000, -0.0001849200000000, 0.0007358400000000 ] - [ 0.0009664000000000, -0.0010587200000000, 0.0038734700000000 ] - [ 0.0005522300000000, -0.0004683700000000, 0.0019359600000000 ] - [ 0.0009122600000000, 0.0010815300000000, 0.0030324800000000 ] - [ 0.0009259700000000, 0.0004644400000000, 0.0015396400000000 ] - [ 0.0135901500000000, 0.0566319900000000, 0.0371904800000000 ] - [ -0.0010790500000000, -0.0008717500000000, -0.0031800500000000 ] - [ 0.0010657400000000, 0.0022803100000000, -0.0017219400000000 ] - [ -0.0003356200000000, 0.0006156300000000, -0.0012859000000000 ] - [ 0.0118975600000000, 0.0567686600000000, 0.0369585700000000 ] - [ -0.0025536500000000, -0.0008709600000000, -0.0036321000000000 ] - [ -0.0004117700000000, 0.0022770400000000, -0.0021696300000000 ] - [ -0.0018107500000000, 0.0006144800000000, -0.0017356100000000 ] - [ -0.0005056100000000, -0.0010583600000000, 0.0034192400000000 ] - [ -0.0009255100000000, -0.0004680800000000, 0.0014859900000000 ] - [ -0.0005601700000000, 0.0010820600000000, 0.0025830600000000 ] - [ -0.0005519400000000, 0.0004640000000000, 0.0010894600000000 ] - [ -0.0109130600000000, -0.0233494000000000, 0.0073415100000000 ] - [ 0.0007404900000000, 0.0004485000000000, 0.0019312800000000 ] - [ -0.0001164400000000, -0.0012135500000000, 0.0006338000000000 ] - [ 0.0002713200000000, -0.0006477200000000, 0.0007906200000000 ] - [ 0.0006358700000000, -0.0009130800000000, -0.0017087900000000 ] - [ 0.0005035600000000, -0.0006542400000000, -0.0009440300000000 ] - [ 0.0005519200000000, -0.0015498300000000, -0.0014620000000000 ] - [ 0.0004056300000000, -0.0011169800000000, -0.0008415100000000 ] - [ 0.0001836200000000, 0.0002747300000000, -0.0017306000000000 ] - [ 0.0000498500000000, 0.0005336300000000, -0.0009647100000000 ] - [ 0.0000995000000000, -0.0003615200000000, -0.0014829500000000 ] - [ -0.0000480600000000, 0.0000707700000000, -0.0008625800000000 ] - [ -0.0094018600000000, -0.0228173000000000, 0.0053229800000000 ] - [ 0.0002877400000000, 0.0016378600000000, 0.0019111100000000 ] - [ -0.0005697500000000, -0.0000254600000000, 0.0006134600000000 ] - [ -0.0001817900000000, 0.0005402400000000, 0.0007695600000000 ] - [ 0.0003457500000000, 0.0006384000000000, -0.0019783200000000 ] - [ 0.0006486600000000, 0.0001581700000000, -0.0011648800000000 ] - [ 0.0003861400000000, -0.0005882700000000, -0.0015769200000000 ] - [ 0.0003839800000000, -0.0001651900000000, -0.0009125200000000 ] - [ 0.0036622500000000, -0.0093018500000000, -0.0148652200000000 ] - [ -0.0001815100000000, 0.0002056900000000, 0.0003939300000000 ] - [ -0.0006783100000000, -0.0004231600000000, 0.0007536600000000 ] - [ 0.0000573700000000, -0.0001621300000000, 0.0000283400000000 ] - [ -0.0027287400000000, -0.0139946800000000, 0.0057985400000000 ] - [ 0.0004366800000000, 0.0002638900000000, 0.0014548700000000 ] - [ -0.0028652200000000, -0.0007419100000000, 0.0046475400000000 ] - [ 0.0003723700000000, 0.0000980300000000, 0.0011885600000000 ] - [ 0.0005335400000000, 0.0016804900000000, -0.0018106000000000 ] - [ 0.0004048800000000, 0.0010977700000000, -0.0010378200000000 ] - [ 0.0006773900000000, 0.0007861800000000, -0.0013922800000000 ] - [ 0.0004980800000000, 0.0006740600000000, -0.0007393700000000 ] - [ 0.0000814000000000, 0.0004935800000000, -0.0018332600000000 ] - [ -0.0000486200000000, -0.0000894400000000, -0.0010586900000000 ] - [ 0.0002245000000000, -0.0004028000000000, -0.0014118400000000 ] - [ 0.0000441000000000, -0.0005145700000000, -0.0007595800000000 ] - [ -0.0031726800000000, -0.0151643000000000, 0.0057734000000000 ] - [ -0.0000161800000000, -0.0009243200000000, 0.0014341900000000 ] - [ -0.0033193100000000, -0.0019351100000000, 0.0046286300000000 ] - [ -0.0000804700000000, -0.0010914400000000, 0.0011685300000000 ] - [ -0.0105189100000000, -0.0073862300000000, -0.0075812500000000 ] - [ 0.0006541500000000, 0.0000462900000000, 0.0007636800000000 ] - [ -0.0011098700000000, -0.0004293600000000, 0.0004819300000000 ] - [ -0.0001817900000000, 0.0000192600000000, 0.0003734000000000 ] - [ -0.0014446800000000, 0.0004490000000000, -0.0011637000000000 ] - [ -0.0010908300000000, 0.0001945200000000, -0.0003286400000000 ] - [ -0.0012796700000000, -0.0004714600000000, -0.0008588400000000 ] - [ -0.0012748500000000, -0.0001934600000000, -0.0004214900000000 ] - [ 0.0034963900000000, -0.0092223300000000, -0.0140910300000000 ] - [ -0.0003234300000000, 0.0002051900000000, 0.0011042300000000 ] - [ -0.0008186900000000, -0.0004229400000000, 0.0014632500000000 ] - [ -0.0000828500000000, -0.0001621000000000, 0.0007371200000000 ] - [ 0.0002029100000000, 0.0006369700000000, -0.0012644800000000 ] - [ 0.0005094300000000, 0.0001577000000000, -0.0004560300000000 ] - [ 0.0002445300000000, -0.0005880800000000, -0.0008672400000000 ] - [ 0.0002449500000000, -0.0001653200000000, -0.0002039000000000 ] - [ 0.0005843500000000, 0.0004490500000000, -0.0011032900000000 ] - [ 0.0009370300000000, 0.0001951800000000, -0.0002677400000000 ] - [ 0.0007489800000000, -0.0004703600000000, -0.0007969600000000 ] - [ 0.0007526500000000, -0.0001936400000000, -0.0003605400000000 ] - [ -0.0085014500000000, -0.0073414900000000, -0.0074935400000000 ] - [ 0.0026821500000000, 0.0000469600000000, 0.0008249300000000 ] - [ 0.0009168100000000, -0.0004296100000000, 0.0005428500000000 ] - [ 0.0018470200000000, 0.0000192000000000, 0.0004347800000000 ]- atom: 33 displacement: [ 0.0099995491105751, 0.0000000000000000, -0.0000949609666999 ] forces: - [ 0.0074278700000000, -0.0075352200000000, 0.0043840400000000 ] - [ 0.0076188800000000, 0.0070242800000000, 0.0050983300000000 ] - [ 0.0074278700000000, 0.0075352200000000, 0.0043840400000000 ] - [ 0.0076188800000000, -0.0070242800000000, 0.0050983300000000 ] - [ 0.0033688700000000, -0.0001299300000000, 0.0050511100000000 ] - [ 0.0037734000000000, 0.0001326400000000, 0.0049526800000000 ] - [ 0.0033688700000000, 0.0001299300000000, 0.0050511100000000 ] - [ 0.0037734000000000, -0.0001326400000000, 0.0049526800000000 ] - [ 0.0018059900000000, 0.0000000000000000, -0.0104621000000000 ] - [ -0.0019603700000000, 0.0000000000000000, 0.0038087300000000 ] - [ -0.0032115500000000, 0.0000000000000000, -0.0052581700000000 ] - [ -0.0039091700000000, 0.0000000000000000, -0.0041660400000000 ] - [ -0.0031737500000000, 0.0000000000000000, -0.0016492000000000 ] - [ -0.0029636200000000, 0.0000000000000000, -0.0065084800000000 ] - [ -0.0036850500000000, 0.0000000000000000, -0.0046136600000000 ] - [ -0.0035500900000000, 0.0000000000000000, -0.0051975600000000 ] - [ -0.0006097600000000, 0.0002713500000000, 0.0000944800000000 ] - [ 0.0006731600000000, -0.0003142000000000, -0.0000794600000000 ] - [ -0.0003475800000000, -0.0000139300000000, 0.0000925700000000 ] - [ 0.0000158700000000, 0.0000663200000000, 0.0001812900000000 ] - [ -0.0216413200000000, -0.0067521900000000, 0.0086256000000000 ] - [ 0.0020603000000000, -0.0005854900000000, -0.0014239500000000 ] - [ -0.0006898700000000, 0.0001260100000000, 0.0002168200000000 ] - [ 0.0011819400000000, -0.0004988500000000, -0.0008568400000000 ] - [ -0.0006097600000000, -0.0002713500000000, 0.0000944800000000 ] - [ 0.0006731600000000, 0.0003142000000000, -0.0000794600000000 ] - [ -0.0003475800000000, 0.0000139300000000, 0.0000925700000000 ] - [ 0.0000158700000000, -0.0000663200000000, 0.0001812900000000 ] - [ -0.0216413200000000, 0.0067521900000000, 0.0086256000000000 ] - [ 0.0020603000000000, 0.0005854900000000, -0.0014239500000000 ] - [ -0.0006898700000000, -0.0001260100000000, 0.0002168200000000 ] - [ 0.0011819400000000, 0.0004988500000000, -0.0008568400000000 ] - [ -0.8680407500000000, 0.0000000000000000, 0.0985516300000000 ] - [ 0.0170531600000000, 0.0000000000000000, -0.0016411300000000 ] - [ -0.0040331900000000, 0.0000000000000000, -0.0007139200000000 ] - [ 0.0056275900000000, 0.0000000000000000, -0.0000273500000000 ] - [ -0.0002320100000000, 0.0000000000000000, -0.0005284900000000 ] - [ 0.0020019200000000, 0.0000000000000000, 0.0023022700000000 ] - [ 0.0005640200000000, 0.0000000000000000, 0.0001488700000000 ] - [ 0.0010091400000000, 0.0000000000000000, 0.0008689700000000 ] - [ -0.0092080000000000, 0.0016537200000000, 0.0002790900000000 ] - [ 0.0040521300000000, -0.0000014200000000, 0.0001000500000000 ] - [ -0.0092080000000000, -0.0016537200000000, 0.0002790900000000 ] - [ 0.0040521300000000, 0.0000014200000000, 0.0001000500000000 ] - [ 0.0002920800000000, 0.0030243800000000, -0.0002351100000000 ] - [ 0.0002179000000000, 0.0007515900000000, 0.0008277700000000 ] - [ 0.0002920800000000, -0.0030243800000000, -0.0002351100000000 ] - [ 0.0002179000000000, -0.0007515900000000, 0.0008277700000000 ] - [ 0.0022946600000000, -0.0008363600000000, -0.0001724500000000 ] - [ -0.0012733100000000, -0.0008914400000000, 0.0000291600000000 ] - [ 0.0018128700000000, -0.0004284000000000, -0.0004549200000000 ] - [ -0.0006410600000000, -0.0008636900000000, -0.0002588200000000 ] - [ 0.0122111700000000, -0.0040770300000000, -0.0103595600000000 ] - [ -0.0012462500000000, -0.0008662900000000, -0.0000504900000000 ] - [ 0.0007870400000000, -0.0003936100000000, 0.0007705500000000 ] - [ -0.0005815000000000, -0.0001710400000000, -0.0000018900000000 ] - [ 0.0938987100000000, 0.0273978500000000, 0.0079126800000000 ] - [ -0.0042193200000000, 0.0004725800000000, 0.0007918600000000 ] - [ 0.0010843700000000, 0.0010718600000000, 0.0001732100000000 ] - [ -0.0019992300000000, 0.0003669400000000, 0.0006045000000000 ] - [ 0.0003177800000000, 0.0005238800000000, 0.0002659600000000 ] - [ -0.0009815000000000, 0.0005559500000000, -0.0010070100000000 ] - [ -0.0000117300000000, 0.0005816100000000, -0.0000771600000000 ] - [ -0.0002985800000000, 0.0004753400000000, -0.0002924000000000 ] - [ 0.2798712900000000, 0.0000000000000000, -0.2054104700000000 ] - [ -0.0080344900000000, 0.0000000000000000, 0.0021001700000000 ] - [ 0.0017174100000000, 0.0000000000000000, -0.0006819500000000 ] - [ -0.0020363100000000, 0.0000000000000000, 0.0003383700000000 ] - [ 0.0003366800000000, 0.0000000000000000, -0.0004396400000000 ] - [ -0.0000043000000000, 0.0000000000000000, -0.0007632400000000 ] - [ 0.0001287000000000, 0.0000000000000000, -0.0004060500000000 ] - [ 0.0000828200000000, 0.0000000000000000, -0.0005402200000000 ] - [ 0.0018128700000000, 0.0004284000000000, -0.0004549200000000 ] - [ -0.0006410600000000, 0.0008636900000000, -0.0002588200000000 ] - [ 0.0022946600000000, 0.0008363600000000, -0.0001724500000000 ] - [ -0.0012733100000000, 0.0008914400000000, 0.0000291600000000 ] - [ 0.0007870400000000, 0.0003936100000000, 0.0007705500000000 ] - [ -0.0005815000000000, 0.0001710400000000, -0.0000018900000000 ] - [ 0.0122111700000000, 0.0040770300000000, -0.0103595600000000 ] - [ -0.0012462500000000, 0.0008662900000000, -0.0000504900000000 ] - [ 0.0938987100000000, -0.0273978500000000, 0.0079126800000000 ] - [ -0.0042193200000000, -0.0004725800000000, 0.0007918600000000 ] - [ 0.0010843700000000, -0.0010718600000000, 0.0001732100000000 ] - [ -0.0019992300000000, -0.0003669400000000, 0.0006045000000000 ] - [ 0.0003177800000000, -0.0005238800000000, 0.0002659600000000 ] - [ -0.0009815000000000, -0.0005559500000000, -0.0010070100000000 ] - [ -0.0000117300000000, -0.0005816100000000, -0.0000771600000000 ] - [ -0.0002985800000000, -0.0004753400000000, -0.0002924000000000 ] - [ 0.0022815200000000, -0.0015403000000000, 0.0017194300000000 ] - [ -0.0036267800000000, 0.0005708800000000, -0.0011481200000000 ] - [ 0.0022815200000000, 0.0015403000000000, 0.0017194300000000 ] - [ -0.0036267800000000, -0.0005708800000000, -0.0011481200000000 ] - [ -0.0001387700000000, -0.0000076000000000, 0.0004213100000000 ] - [ -0.0018582400000000, -0.0001012000000000, -0.0003357700000000 ] - [ -0.0001387700000000, 0.0000076000000000, 0.0004213100000000 ] - [ -0.0018582400000000, 0.0001012000000000, -0.0003357700000000 ] - [ 0.0038868700000000, 0.0007982400000000, -0.0018881000000000 ] - [ -0.0020427200000000, -0.0002679500000000, 0.0011149300000000 ] - [ 0.0038868700000000, -0.0007982400000000, -0.0018881000000000 ] - [ -0.0020427200000000, 0.0002679500000000, 0.0011149300000000 ] - [ 0.0003059500000000, -0.0010020300000000, -0.0008455600000000 ] - [ -0.0003248500000000, -0.0001780700000000, 0.0002703900000000 ] - [ 0.0003059500000000, 0.0010020300000000, -0.0008455600000000 ] - [ -0.0003248500000000, 0.0001780700000000, 0.0002703900000000 ] - [ 0.4012164000000000, 0.0000000000000000, 0.0928664100000000 ] - [ -0.0080679300000000, 0.0000000000000000, -0.0008067200000000 ] - [ 0.0037600900000000, 0.0000000000000000, 0.0006470700000000 ] - [ -0.0016444700000000, 0.0000000000000000, -0.0003343500000000 ] - [ 0.0017415800000000, 0.0000000000000000, 0.0003130800000000 ] - [ 0.0000106000000000, 0.0000000000000000, -0.0006976300000000 ] - [ 0.0012036900000000, 0.0000000000000000, 0.0000956500000000 ] - [ 0.0007700400000000, 0.0000000000000000, -0.0001752100000000 ]- atom: 33 displacement: [ -0.0099995491105751, 0.0000000000000000, 0.0000949609666999 ] forces: - [ -0.0002283000000000, 0.0075435800000000, 0.0052864100000000 ] - [ -0.0004218900000000, -0.0069733500000000, 0.0045705500000000 ] - [ -0.0002283000000000, -0.0075435800000000, 0.0052864100000000 ] - [ -0.0004218900000000, 0.0069733500000000, 0.0045705500000000 ] - [ 0.0038234200000000, 0.0001284400000000, 0.0046449100000000 ] - [ 0.0034178400000000, -0.0001334800000000, 0.0047398100000000 ] - [ 0.0038234200000000, -0.0001284400000000, 0.0046449100000000 ] - [ 0.0034178400000000, 0.0001334800000000, 0.0047398100000000 ] - [ -0.0090164600000000, 0.0000000000000000, 0.0007567300000000 ] - [ -0.0052055400000000, 0.0000000000000000, -0.0134840400000000 ] - [ -0.0039833800000000, 0.0000000000000000, -0.0044338000000000 ] - [ -0.0032784300000000, 0.0000000000000000, -0.0055228800000000 ] - [ -0.0040282400000000, 0.0000000000000000, -0.0080176700000000 ] - [ -0.0042303300000000, 0.0000000000000000, -0.0031695700000000 ] - [ -0.0035083500000000, 0.0000000000000000, -0.0050715600000000 ] - [ -0.0036414700000000, 0.0000000000000000, -0.0044878800000000 ] - [ 0.0005961700000000, -0.0002672000000000, -0.0000782100000000 ] - [ -0.0006695700000000, 0.0003121300000000, 0.0000808800000000 ] - [ 0.0003383800000000, 0.0000171700000000, -0.0000828800000000 ] - [ -0.0000161700000000, -0.0000657300000000, -0.0001794900000000 ] - [ 0.0216677300000000, 0.0067822300000000, -0.0084512700000000 ] - [ -0.0020621000000000, 0.0005892200000000, 0.0014314500000000 ] - [ 0.0006963600000000, -0.0001253100000000, -0.0002249700000000 ] - [ -0.0011780300000000, 0.0004965400000000, 0.0008540100000000 ] - [ 0.0005961700000000, 0.0002672000000000, -0.0000782100000000 ] - [ -0.0006695700000000, -0.0003121300000000, 0.0000808800000000 ] - [ 0.0003383800000000, -0.0000171700000000, -0.0000828800000000 ] - [ -0.0000161700000000, 0.0000657300000000, -0.0001794900000000 ] - [ 0.0216677300000000, -0.0067822300000000, -0.0084512700000000 ] - [ -0.0020621000000000, -0.0005892200000000, 0.0014314500000000 ] - [ 0.0006963600000000, 0.0001253100000000, -0.0002249700000000 ] - [ -0.0011780300000000, -0.0004965400000000, 0.0008540100000000 ] - [ 0.8889914600000000, 0.0000000000000000, -0.0744145700000000 ] - [ -0.0155032000000000, 0.0000000000000000, 0.0021021000000000 ] - [ 0.0054984400000000, 0.0000000000000000, 0.0011496200000000 ] - [ -0.0041380800000000, 0.0000000000000000, 0.0004576400000000 ] - [ 0.0017065800000000, 0.0000000000000000, 0.0009912000000000 ] - [ -0.0005231000000000, 0.0000000000000000, -0.0018393100000000 ] - [ 0.0009123500000000, 0.0000000000000000, 0.0003058300000000 ] - [ 0.0004662200000000, 0.0000000000000000, -0.0004202600000000 ] - [ 0.0077098600000000, -0.0016935700000000, -0.0006901600000000 ] - [ -0.0055096900000000, -0.0000038700000000, -0.0005487200000000 ] - [ 0.0077098600000000, 0.0016935700000000, -0.0006901600000000 ] - [ -0.0055096900000000, 0.0000038700000000, -0.0005487200000000 ] - [ -0.0017501200000000, -0.0029692900000000, -0.0001862200000000 ] - [ -0.0016907700000000, -0.0007320000000000, -0.0012479900000000 ] - [ -0.0017501200000000, 0.0029692900000000, -0.0001862200000000 ] - [ -0.0016907700000000, 0.0007320000000000, -0.0012479900000000 ] - [ -0.0018370000000000, -0.0003391100000000, 0.0001763200000000 ] - [ 0.0017175100000000, -0.0002886100000000, -0.0000083900000000 ] - [ -0.0013600700000000, -0.0007716300000000, 0.0004588200000000 ] - [ 0.0010854900000000, -0.0003224600000000, 0.0002775100000000 ] - [ -0.0117973200000000, 0.0028495300000000, 0.0103477300000000 ] - [ 0.0016915400000000, -0.0003321800000000, 0.0000538400000000 ] - [ -0.0003432100000000, -0.0007823400000000, -0.0007460100000000 ] - [ 0.0010254000000000, -0.0010104900000000, 0.0000186100000000 ] - [ -0.0946949400000000, -0.0268107900000000, -0.0086002200000000 ] - [ 0.0037634000000000, 0.0007056700000000, -0.0008178500000000 ] - [ -0.0015300700000000, 0.0001140700000000, -0.0001866200000000 ] - [ 0.0015483000000000, 0.0008209700000000, -0.0006187600000000 ] - [ -0.0007593400000000, 0.0006550600000000, -0.0002966500000000 ] - [ 0.0005300600000000, 0.0006287900000000, 0.0009780800000000 ] - [ -0.0004295200000000, 0.0006008400000000, 0.0000497800000000 ] - [ -0.0001478100000000, 0.0007104600000000, 0.0002709600000000 ] - [ -0.2708253100000000, 0.0000000000000000, 0.1918986700000000 ] - [ 0.0081643900000000, 0.0000000000000000, -0.0027927700000000 ] - [ -0.0015668600000000, 0.0000000000000000, -0.0000223200000000 ] - [ 0.0021724900000000, 0.0000000000000000, -0.0010375300000000 ] - [ -0.0001848500000000, 0.0000000000000000, -0.0002799600000000 ] - [ 0.0001509000000000, 0.0000000000000000, 0.0000489300000000 ] - [ 0.0000147500000000, 0.0000000000000000, -0.0003042100000000 ] - [ 0.0000584800000000, 0.0000000000000000, -0.0001672600000000 ] - [ -0.0013600700000000, 0.0007716300000000, 0.0004588200000000 ] - [ 0.0010854900000000, 0.0003224600000000, 0.0002775100000000 ] - [ -0.0018370000000000, 0.0003391100000000, 0.0001763200000000 ] - [ 0.0017175100000000, 0.0002886100000000, -0.0000083900000000 ] - [ -0.0003432100000000, 0.0007823400000000, -0.0007460100000000 ] - [ 0.0010254000000000, 0.0010104900000000, 0.0000186100000000 ] - [ -0.0117973200000000, -0.0028495300000000, 0.0103477300000000 ] - [ 0.0016915400000000, 0.0003321800000000, 0.0000538400000000 ] - [ -0.0946949400000000, 0.0268107900000000, -0.0086002200000000 ] - [ 0.0037634000000000, -0.0007056700000000, -0.0008178500000000 ] - [ -0.0015300700000000, -0.0001140700000000, -0.0001866200000000 ] - [ 0.0015483000000000, -0.0008209700000000, -0.0006187600000000 ] - [ -0.0007593400000000, -0.0006550600000000, -0.0002966500000000 ] - [ 0.0005300600000000, -0.0006287900000000, 0.0009780800000000 ] - [ -0.0004295200000000, -0.0006008400000000, 0.0000497800000000 ] - [ -0.0001478100000000, -0.0007104600000000, 0.0002709600000000 ] - [ -0.0043142800000000, 0.0015491500000000, -0.0018011400000000 ] - [ 0.0015703800000000, -0.0005675300000000, 0.0010672300000000 ] - [ -0.0043142800000000, -0.0015491500000000, -0.0018011400000000 ] - [ 0.0015703800000000, 0.0005675300000000, 0.0010672300000000 ] - [ -0.0019197600000000, 0.0000010800000000, -0.0005094800000000 ] - [ -0.0001962100000000, 0.0000967400000000, 0.0002460100000000 ] - [ -0.0019197600000000, -0.0000010800000000, -0.0005094800000000 ] - [ -0.0001962100000000, -0.0000967400000000, 0.0002460100000000 ] - [ -0.0040301900000000, -0.0007792900000000, 0.0025832000000000 ] - [ 0.0018905500000000, 0.0002673500000000, -0.0003988500000000 ] - [ -0.0040301900000000, 0.0007792900000000, 0.0025832000000000 ] - [ 0.0018905500000000, -0.0002673500000000, -0.0003988500000000 ] - [ -0.0004469300000000, 0.0009926700000000, 0.0015427800000000 ] - [ 0.0001855200000000, 0.0001751400000000, 0.0004275300000000 ] - [ -0.0004469300000000, -0.0009926700000000, 0.0015427800000000 ] - [ 0.0001855200000000, -0.0001751400000000, 0.0004275300000000 ] - [ -0.4268327000000000, 0.0000000000000000, -0.1026311000000000 ] - [ 0.0100427900000000, 0.0000000000000000, 0.0008859500000000 ] - [ -0.0017087900000000, 0.0000000000000000, -0.0005597600000000 ] - [ 0.0036860700000000, 0.0000000000000000, 0.0004200200000000 ] - [ 0.0003026300000000, 0.0000000000000000, -0.0002374600000000 ] - [ 0.0020338000000000, 0.0000000000000000, 0.0007747700000000 ] - [ 0.0008441200000000, 0.0000000000000000, -0.0000179900000000 ] - [ 0.0012804200000000, 0.0000000000000000, 0.0002553600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013241000000000, 0.0022413900000000, 0.0029735900000000 ] - [ 0.0110490300000000, 0.0048225100000000, 0.0013927400000000 ] - [ 0.0084898900000000, 0.0022367500000000, 0.0067171500000000 ] - [ -0.0038212400000000, 0.0048156100000000, 0.0083020600000000 ] - [ 0.0030336700000000, -0.0000124300000000, 0.0053736800000000 ] - [ 0.0039873700000000, -0.0000227100000000, 0.0056377600000000 ] - [ 0.0041553900000000, -0.0000100000000000, 0.0043192500000000 ] - [ 0.0032055800000000, -0.0000185400000000, 0.0040526500000000 ] - [ -0.0035987100000000, -0.0011587700000000, -0.0048429400000000 ] - [ -0.0035896200000000, -0.0015243900000000, -0.0048415800000000 ] - [ -0.0035943500000000, 0.0012950900000000, -0.0048476400000000 ] - [ -0.0035967800000000, 0.0012372800000000, -0.0048479900000000 ] - [ -0.0036019400000000, -0.0063709800000000, -0.0048599100000000 ] - [ -0.0035964700000000, -0.0032393500000000, -0.0048469000000000 ] - [ -0.0035942600000000, 0.0025490900000000, -0.0048441800000000 ] - [ -0.0035970500000000, 0.0022760700000000, -0.0048448400000000 ] - [ 0.0009350400000000, -0.0004268700000000, -0.0009019200000000 ] - [ 0.0004362500000000, -0.0002187200000000, -0.0003955200000000 ] - [ -0.0009657500000000, 0.0004167300000000, 0.0009172700000000 ] - [ -0.0004308200000000, 0.0002162900000000, 0.0003909800000000 ] - [ -0.0431540700000000, 0.0230139900000000, 0.0498350000000000 ] - [ 0.0010474700000000, -0.0006042400000000, -0.0006883500000000 ] - [ -0.0021928700000000, 0.0026454500000000, 0.0019124700000000 ] - [ -0.0007982300000000, 0.0005118500000000, 0.0004788600000000 ] - [ -0.0009324700000000, -0.0004258200000000, 0.0009007600000000 ] - [ -0.0004331500000000, -0.0002169400000000, 0.0003934500000000 ] - [ 0.0009684400000000, 0.0004171500000000, -0.0009200800000000 ] - [ 0.0004306000000000, 0.0002159200000000, -0.0003911200000000 ] - [ 0.0430659900000000, 0.0227871400000000, -0.0493428600000000 ] - [ -0.0010494000000000, -0.0006036200000000, 0.0006901000000000 ] - [ 0.0021865400000000, 0.0026434800000000, -0.0019007100000000 ] - [ 0.0007936900000000, 0.0005097100000000, -0.0004729100000000 ] - [ -0.0016291000000000, -0.5675982300000000, -0.0094598200000000 ] - [ 0.0007346200000000, -0.0048742900000000, 0.0002195600000000 ] - [ 0.0007344900000000, 0.0157943100000000, 0.0002126900000000 ] - [ 0.0007402800000000, 0.0043997500000000, 0.0002276700000000 ] - [ 0.0007402000000000, -0.0026904700000000, 0.0002242300000000 ] - [ 0.0007327700000000, -0.0015060800000000, 0.0002240500000000 ] - [ 0.0007384000000000, 0.0027475000000000, 0.0002247700000000 ] - [ 0.0007370300000000, 0.0014739600000000, 0.0002242300000000 ] - [ 0.0008911600000000, 0.0002727100000000, -0.0057941800000000 ] - [ -0.0007514800000000, 0.0000271300000000, -0.0018461300000000 ] - [ -0.0023513000000000, 0.0002938700000000, 0.0053164800000000 ] - [ -0.0007233300000000, 0.0000355700000000, 0.0013888800000000 ] - [ 0.0024166700000000, 0.0217641300000000, 0.0135925900000000 ] - [ 0.0000106600000000, 0.0010236900000000, 0.0009853000000000 ] - [ -0.0038380200000000, 0.0217110600000000, -0.0139915100000000 ] - [ -0.0014955300000000, 0.0010425800000000, -0.0014328300000000 ] - [ -0.0002049400000000, 0.0005945100000000, 0.0016793700000000 ] - [ 0.0000672800000000, -0.0000325800000000, 0.0006754300000000 ] - [ 0.0007798900000000, -0.0019455400000000, -0.0018424100000000 ] - [ 0.0003665300000000, -0.0011670200000000, -0.0006364300000000 ] - [ 0.0219160000000000, -0.0189468900000000, -0.0306247700000000 ] - [ -0.0009763000000000, -0.0005529500000000, -0.0006751200000000 ] - [ 0.0009408300000000, -0.0066000700000000, -0.0011887600000000 ] - [ 0.0008396000000000, -0.0012847400000000, 0.0002235400000000 ] - [ 0.0368632100000000, 0.1934577600000000, 0.0833345800000000 ] - [ -0.0002186800000000, 0.0028852300000000, 0.0011123900000000 ] - [ 0.0003754600000000, -0.0078843900000000, -0.0035225700000000 ] - [ -0.0002890300000000, -0.0015291000000000, -0.0009072800000000 ] - [ -0.0005928100000000, 0.0017788400000000, 0.0008125200000000 ] - [ -0.0003314300000000, 0.0012893300000000, 0.0004038400000000 ] - [ 0.0001578300000000, -0.0006062700000000, -0.0008481500000000 ] - [ -0.0001301300000000, -0.0000968800000000, -0.0004219300000000 ] - [ -0.0006683400000000, 0.0783475800000000, 0.0004407600000000 ] - [ 0.0000710600000000, 0.0011339600000000, -0.0003556900000000 ] - [ 0.0000699300000000, -0.0033956800000000, -0.0003531400000000 ] - [ 0.0000708200000000, -0.0012027300000000, -0.0003556900000000 ] - [ 0.0000681500000000, 0.0010268500000000, -0.0003534800000000 ] - [ 0.0000726500000000, 0.0004531400000000, -0.0003558300000000 ] - [ 0.0000711600000000, -0.0010140000000000, -0.0003564400000000 ] - [ 0.0000711900000000, -0.0004574600000000, -0.0003558400000000 ] - [ -0.0003306300000000, -0.0007549100000000, 0.0018687700000000 ] - [ 0.0000858600000000, 0.0000251200000000, 0.0006572800000000 ] - [ 0.0006569500000000, 0.0017716700000000, -0.0016532900000000 ] - [ 0.0003853100000000, 0.0011516600000000, -0.0006515800000000 ] - [ -0.0004876300000000, -0.0054075600000000, 0.0011942700000000 ] - [ -0.0003846300000000, -0.0000872700000000, -0.0002111600000000 ] - [ -0.0214592500000000, -0.0176649500000000, 0.0305250000000000 ] - [ 0.0014338900000000, 0.0006288000000000, 0.0006955500000000 ] - [ -0.0351266500000000, 0.1827741900000000, -0.0752273600000000 ] - [ -0.0002310900000000, 0.0016899600000000, -0.0011293100000000 ] - [ -0.0008247500000000, -0.0090936600000000, 0.0035033400000000 ] - [ -0.0001615100000000, -0.0027177500000000, 0.0008826300000000 ] - [ 0.0001380300000000, 0.0005868500000000, -0.0008308400000000 ] - [ -0.0001213000000000, 0.0000960000000000, -0.0004226800000000 ] - [ -0.0006121300000000, -0.0017967600000000, 0.0008303800000000 ] - [ -0.0003226600000000, -0.0012863600000000, 0.0004029800000000 ] - [ -0.0011351500000000, -0.0000599200000000, 0.0015405500000000 ] - [ -0.0008240900000000, 0.0000112400000000, 0.0007191300000000 ] - [ -0.0008900400000000, -0.0000651900000000, -0.0015931400000000 ] - [ -0.0012008100000000, 0.0000078000000000, -0.0007760900000000 ] - [ -0.0031226000000000, -0.0032002500000000, -0.0038649800000000 ] - [ -0.0013833400000000, -0.0002062800000000, -0.0003828400000000 ] - [ 0.0010768700000000, -0.0032039500000000, 0.0038003000000000 ] - [ -0.0006370700000000, -0.0002097900000000, 0.0003236500000000 ] - [ -0.0007773700000000, -0.0006820600000000, 0.0037626900000000 ] - [ -0.0006480800000000, 0.0000234500000000, 0.0013717100000000 ] - [ 0.0006293000000000, -0.0006867300000000, -0.0030251500000000 ] - [ 0.0005046200000000, 0.0000208300000000, -0.0006565700000000 ] - [ 0.0032685300000000, -0.0045595800000000, -0.0069827600000000 ] - [ -0.0001682600000000, -0.0000902100000000, -0.0001004600000000 ] - [ -0.0034177500000000, -0.0045558100000000, 0.0076948100000000 ] - [ 0.0000314400000000, -0.0000958600000000, 0.0008102900000000 ] - [ 0.0019721000000000, 0.0827967700000000, 0.0003658700000000 ] - [ 0.0010165800000000, 0.0019854300000000, 0.0000311600000000 ] - [ 0.0010144700000000, -0.0032518000000000, 0.0000320100000000 ] - [ 0.0010108400000000, -0.0019803900000000, 0.0000298400000000 ] - [ 0.0010110200000000, 0.0007941200000000, 0.0000298000000000 ] - [ 0.0010149300000000, 0.0004022800000000, 0.0000334200000000 ] - [ 0.0010123400000000, -0.0008253600000000, 0.0000297000000000 ] - [ 0.0010126000000000, -0.0004499500000000, 0.0000298500000000 ]- atom: 33 displacement: [ -0.0018484943313082, 0.0000000000000000, 0.0098276685285535 ] forces: - [ 0.0024947900000000, -0.0009589500000000, 0.0017761600000000 ] - [ 0.0036232900000000, -0.0048372200000000, -0.0007205100000000 ] - [ 0.0024947900000000, 0.0009589500000000, 0.0017761600000000 ] - [ 0.0036232900000000, 0.0048372200000000, -0.0007205100000000 ] - [ 0.0034296700000000, -0.0000747800000000, 0.0065451800000000 ] - [ 0.0036717600000000, 0.0001218800000000, 0.0067871000000000 ] - [ 0.0034296700000000, 0.0000747800000000, 0.0065451800000000 ] - [ 0.0036717600000000, -0.0001218800000000, 0.0067871000000000 ] - [ -0.0107884800000000, 0.0000000000000000, 0.0025455800000000 ] - [ 0.0011810000000000, 0.0000000000000000, -0.0013717700000000 ] - [ -0.0039307100000000, 0.0000000000000000, -0.0050037200000000 ] - [ -0.0030584700000000, 0.0000000000000000, -0.0052735600000000 ] - [ 0.0007437400000000, 0.0000000000000000, 0.0019138100000000 ] - [ -0.0057752800000000, 0.0000000000000000, -0.0040441100000000 ] - [ -0.0027076600000000, 0.0000000000000000, -0.0042710300000000 ] - [ -0.0046521600000000, 0.0000000000000000, -0.0044092500000000 ] - [ -0.0022657400000000, 0.0007047600000000, 0.0031754800000000 ] - [ -0.0010267300000000, 0.0003896400000000, 0.0015575400000000 ] - [ -0.0020388700000000, 0.0008268200000000, 0.0023905800000000 ] - [ -0.0008663000000000, 0.0003460900000000, 0.0011188800000000 ] - [ -0.0156359000000000, 0.0236008400000000, 0.0318413800000000 ] - [ 0.0019921600000000, -0.0008815500000000, -0.0026953600000000 ] - [ 0.0014865700000000, -0.0015561900000000, -0.0017434600000000 ] - [ 0.0007463900000000, -0.0002619500000000, -0.0011723200000000 ] - [ -0.0022657400000000, -0.0007047600000000, 0.0031754800000000 ] - [ -0.0010267300000000, -0.0003896400000000, 0.0015575400000000 ] - [ -0.0020388700000000, -0.0008268200000000, 0.0023905800000000 ] - [ -0.0008663000000000, -0.0003460900000000, 0.0011188800000000 ] - [ -0.0156359000000000, -0.0236008400000000, 0.0318413800000000 ] - [ 0.0019921600000000, 0.0008815500000000, -0.0026953600000000 ] - [ 0.0014865700000000, 0.0015561900000000, -0.0017434600000000 ] - [ 0.0007463900000000, 0.0002619500000000, -0.0011723200000000 ] - [ 0.2305171800000000, 0.0000000000000000, -0.7201727000000000 ] - [ -0.0042032300000000, 0.0000000000000000, -0.0068730600000000 ] - [ 0.0006290500000000, 0.0000000000000000, -0.0082416500000000 ] - [ -0.0004351200000000, 0.0000000000000000, -0.0021138300000000 ] - [ 0.0002400500000000, 0.0000000000000000, 0.0077124300000000 ] - [ 0.0025810500000000, 0.0000000000000000, 0.0042536300000000 ] - [ 0.0007365900000000, 0.0000000000000000, 0.0047611800000000 ] - [ 0.0013451100000000, 0.0000000000000000, 0.0026961700000000 ] - [ 0.0013785200000000, -0.0057470400000000, 0.0062081100000000 ] - [ -0.0012965800000000, -0.0015847900000000, 0.0012823400000000 ] - [ 0.0013785200000000, 0.0057470400000000, 0.0062081100000000 ] - [ -0.0012965800000000, 0.0015847900000000, 0.0012823400000000 ] - [ -0.0008504700000000, 0.0130330700000000, 0.0088800100000000 ] - [ 0.0000914600000000, 0.0010498300000000, -0.0014485800000000 ] - [ -0.0008504700000000, -0.0130330700000000, 0.0088800100000000 ] - [ 0.0000914600000000, -0.0010498300000000, -0.0014485800000000 ] - [ 0.0007031500000000, 0.0003187800000000, -0.0029819100000000 ] - [ 0.0011962600000000, 0.0000004200000000, -0.0011664300000000 ] - [ 0.0004134600000000, -0.0033673800000000, -0.0032487900000000 ] - [ 0.0005532200000000, -0.0015390300000000, -0.0013174100000000 ] - [ 0.0074305200000000, -0.0107982900000000, -0.0136158400000000 ] - [ -0.0014922400000000, -0.0006918200000000, 0.0016239400000000 ] - [ 0.0000914100000000, 0.0033314400000000, 0.0011156900000000 ] - [ -0.0001886200000000, 0.0000469200000000, 0.0012934400000000 ] - [ -0.0021763800000000, 0.0848094800000000, 0.1359840500000000 ] - [ 0.0003064200000000, 0.0027541700000000, 0.0037184400000000 ] - [ -0.0012387600000000, 0.0027818000000000, 0.0033708400000000 ] - [ -0.0002852100000000, 0.0010709700000000, 0.0013391500000000 ] - [ 0.0006897800000000, -0.0008160100000000, -0.0038595800000000 ] - [ -0.0002537500000000, -0.0003219300000000, -0.0021545300000000 ] - [ 0.0007005800000000, -0.0004632400000000, -0.0024755900000000 ] - [ 0.0000055600000000, 0.0000206900000000, -0.0013376300000000 ] - [ -0.2328164300000000, 0.0000000000000000, 0.3050162400000000 ] - [ 0.0006000300000000, 0.0000000000000000, 0.0011526500000000 ] - [ -0.0015954500000000, 0.0000000000000000, 0.0027898800000000 ] - [ 0.0000076000000000, 0.0000000000000000, 0.0005569800000000 ] - [ 0.0017756200000000, 0.0000000000000000, -0.0039382800000000 ] - [ 0.0003268200000000, 0.0000000000000000, -0.0018959200000000 ] - [ 0.0009026700000000, 0.0000000000000000, -0.0024518500000000 ] - [ 0.0003910000000000, 0.0000000000000000, -0.0014103900000000 ] - [ 0.0004134600000000, 0.0033673800000000, -0.0032487900000000 ] - [ 0.0005532200000000, 0.0015390300000000, -0.0013174100000000 ] - [ 0.0007031500000000, -0.0003187800000000, -0.0029819100000000 ] - [ 0.0011962600000000, -0.0000004200000000, -0.0011664300000000 ] - [ 0.0000914100000000, -0.0033314400000000, 0.0011156900000000 ] - [ -0.0001886200000000, -0.0000469200000000, 0.0012934400000000 ] - [ 0.0074305200000000, 0.0107982900000000, -0.0136158400000000 ] - [ -0.0014922400000000, 0.0006918200000000, 0.0016239400000000 ] - [ -0.0021763800000000, -0.0848094800000000, 0.1359840500000000 ] - [ 0.0003064200000000, -0.0027541700000000, 0.0037184400000000 ] - [ -0.0012387600000000, -0.0027818000000000, 0.0033708400000000 ] - [ -0.0002852100000000, -0.0010709700000000, 0.0013391500000000 ] - [ 0.0006897800000000, 0.0008160100000000, -0.0038595800000000 ] - [ -0.0002537500000000, 0.0003219300000000, -0.0021545300000000 ] - [ 0.0007005800000000, 0.0004632400000000, -0.0024755900000000 ] - [ 0.0000055600000000, -0.0000206900000000, -0.0013376300000000 ] - [ -0.0018726700000000, 0.0026090600000000, -0.0019487300000000 ] - [ -0.0010205400000000, 0.0005172200000000, 0.0000110100000000 ] - [ -0.0018726700000000, -0.0026090600000000, -0.0019487300000000 ] - [ -0.0010205400000000, -0.0005172200000000, 0.0000110100000000 ] - [ -0.0017388600000000, -0.0024640900000000, -0.0026959000000000 ] - [ -0.0010800000000000, -0.0002400000000000, -0.0000890900000000 ] - [ -0.0017388600000000, 0.0024640900000000, -0.0026959000000000 ] - [ -0.0010800000000000, 0.0002400000000000, -0.0000890900000000 ] - [ -0.0006781900000000, 0.0026574700000000, -0.0014637200000000 ] - [ 0.0006746900000000, 0.0007183200000000, -0.0000628500000000 ] - [ -0.0006781900000000, -0.0026574700000000, -0.0014637200000000 ] - [ 0.0006746900000000, -0.0007183200000000, -0.0000628500000000 ] - [ 0.0023998100000000, -0.0025260500000000, -0.0041366100000000 ] - [ -0.0009679500000000, -0.0004435700000000, 0.0006299600000000 ] - [ 0.0023998100000000, 0.0025260500000000, -0.0041366100000000 ] - [ -0.0009679500000000, 0.0004435700000000, 0.0006299600000000 ] - [ 0.0228197900000000, 0.0000000000000000, 0.0975612100000000 ] - [ 0.0055868300000000, 0.0000000000000000, 0.0029990100000000 ] - [ 0.0022269200000000, 0.0000000000000000, 0.0022101300000000 ] - [ 0.0019277800000000, 0.0000000000000000, 0.0007684200000000 ] - [ 0.0005647900000000, 0.0000000000000000, -0.0019341100000000 ] - [ -0.0004189000000000, 0.0000000000000000, -0.0020306900000000 ] - [ 0.0006209800000000, 0.0000000000000000, -0.0012840400000000 ] - [ 0.0004458100000000, 0.0000000000000000, -0.0008461900000000 ]- atom: 33 displacement: [ 0.0018484943313082, 0.0000000000000000, -0.0098276685285535 ] forces: - [ 0.0047018800000000, 0.0009622100000000, 0.0079152700000000 ] - [ 0.0035496000000000, 0.0048037200000000, 0.0104206600000000 ] - [ 0.0047018800000000, -0.0009622100000000, 0.0079152700000000 ] - [ 0.0035496000000000, -0.0048037200000000, 0.0104206600000000 ] - [ 0.0037590800000000, 0.0000767100000000, 0.0031449100000000 ] - [ 0.0035219900000000, -0.0001199900000000, 0.0029060600000000 ] - [ 0.0037590800000000, -0.0000767100000000, 0.0031449100000000 ] - [ 0.0035219900000000, 0.0001199900000000, 0.0029060600000000 ] - [ 0.0035934800000000, 0.0000000000000000, -0.0121983300000000 ] - [ -0.0084071400000000, 0.0000000000000000, -0.0083436200000000 ] - [ -0.0032592200000000, 0.0000000000000000, -0.0046776400000000 ] - [ -0.0041358200000000, 0.0000000000000000, -0.0044115900000000 ] - [ -0.0079025000000000, 0.0000000000000000, -0.0115867200000000 ] - [ -0.0014307000000000, 0.0000000000000000, -0.0056453200000000 ] - [ -0.0044796600000000, 0.0000000000000000, -0.0054261600000000 ] - [ -0.0025445400000000, 0.0000000000000000, -0.0052844700000000 ] - [ 0.0022694700000000, -0.0007059500000000, -0.0031773200000000 ] - [ 0.0010185500000000, -0.0003862700000000, -0.0015500100000000 ] - [ 0.0020408400000000, -0.0008274200000000, -0.0023905400000000 ] - [ 0.0008625100000000, -0.0003451100000000, -0.0011143300000000 ] - [ 0.0153779200000000, -0.0232090100000000, -0.0316821200000000 ] - [ -0.0019888800000000, 0.0008785100000000, 0.0026839300000000 ] - [ -0.0014627600000000, 0.0015522500000000, 0.0017161400000000 ] - [ -0.0007441100000000, 0.0002611800000000, 0.0011648400000000 ] - [ 0.0022694700000000, 0.0007059500000000, -0.0031773200000000 ] - [ 0.0010185500000000, 0.0003862700000000, -0.0015500100000000 ] - [ 0.0020408400000000, 0.0008274200000000, -0.0023905400000000 ] - [ 0.0008625100000000, 0.0003451100000000, -0.0011143300000000 ] - [ 0.0153779200000000, 0.0232090100000000, -0.0316821200000000 ] - [ -0.0019888800000000, -0.0008785100000000, 0.0026839300000000 ] - [ -0.0014627600000000, -0.0015522500000000, 0.0017161400000000 ] - [ -0.0007441100000000, -0.0002611800000000, 0.0011648400000000 ] - [ -0.2507308800000000, 0.0000000000000000, 0.7304250900000000 ] - [ 0.0056268900000000, 0.0000000000000000, 0.0073053400000000 ] - [ 0.0008586300000000, 0.0000000000000000, 0.0086929000000000 ] - [ 0.0018903500000000, 0.0000000000000000, 0.0025533800000000 ] - [ 0.0012324800000000, 0.0000000000000000, -0.0072495100000000 ] - [ -0.0010998700000000, 0.0000000000000000, -0.0038040700000000 ] - [ 0.0007405100000000, 0.0000000000000000, -0.0043094500000000 ] - [ 0.0001306900000000, 0.0000000000000000, -0.0022472700000000 ] - [ -0.0028221100000000, 0.0057706800000000, -0.0066541500000000 ] - [ -0.0001942400000000, 0.0015883400000000, -0.0017114100000000 ] - [ -0.0028221100000000, -0.0057706800000000, -0.0066541500000000 ] - [ -0.0001942400000000, -0.0015883400000000, -0.0017114100000000 ] - [ -0.0005971300000000, -0.0129191800000000, -0.0092799000000000 ] - [ -0.0015722500000000, -0.0010483800000000, 0.0009730300000000 ] - [ -0.0005971300000000, 0.0129191800000000, -0.0092799000000000 ] - [ -0.0015722500000000, 0.0010483800000000, 0.0009730300000000 ] - [ -0.0002579400000000, -0.0015234600000000, 0.0030013400000000 ] - [ -0.0007391100000000, -0.0011946600000000, 0.0011768100000000 ] - [ 0.0000324600000000, 0.0021846900000000, 0.0032691800000000 ] - [ -0.0000983300000000, 0.0003499200000000, 0.0013303400000000 ] - [ -0.0069525500000000, 0.0095150400000000, 0.0135927200000000 ] - [ 0.0019416500000000, -0.0004924100000000, -0.0015880300000000 ] - [ 0.0003490400000000, -0.0044849100000000, -0.0010756400000000 ] - [ 0.0006403300000000, -0.0012299000000000, -0.0012609200000000 ] - [ 0.0030708300000000, -0.0789518800000000, -0.1336036600000000 ] - [ -0.0007462100000000, -0.0015573900000000, -0.0037222700000000 ] - [ 0.0007758700000000, -0.0015943500000000, -0.0033783500000000 ] - [ -0.0001632000000000, 0.0001187900000000, -0.0013520200000000 ] - [ -0.0011430200000000, 0.0020020500000000, 0.0038378700000000 ] - [ -0.0001929200000000, 0.0015061900000000, 0.0021336000000000 ] - [ -0.0011520700000000, 0.0016525000000000, 0.0024556400000000 ] - [ -0.0004538000000000, 0.0011678600000000, 0.0013160100000000 ] - [ 0.2508988700000000, 0.0000000000000000, -0.3214600000000000 ] - [ -0.0004314200000000, 0.0000000000000000, -0.0018755100000000 ] - [ 0.0017339600000000, 0.0000000000000000, -0.0035036700000000 ] - [ 0.0001406400000000, 0.0000000000000000, -0.0012708300000000 ] - [ -0.0016253200000000, 0.0000000000000000, 0.0032160300000000 ] - [ -0.0001815600000000, 0.0000000000000000, 0.0011828700000000 ] - [ -0.0007586000000000, 0.0000000000000000, 0.0017399100000000 ] - [ -0.0002464900000000, 0.0000000000000000, 0.0006993600000000 ] - [ 0.0000324600000000, -0.0021846900000000, 0.0032691800000000 ] - [ -0.0000983300000000, -0.0003499200000000, 0.0013303400000000 ] - [ -0.0002579400000000, 0.0015234600000000, 0.0030013400000000 ] - [ -0.0007391100000000, 0.0011946600000000, 0.0011768100000000 ] - [ 0.0003490400000000, 0.0044849100000000, -0.0010756400000000 ] - [ 0.0006403300000000, 0.0012299000000000, -0.0012609200000000 ] - [ -0.0069525500000000, -0.0095150400000000, 0.0135927200000000 ] - [ 0.0019416500000000, 0.0004924100000000, -0.0015880300000000 ] - [ 0.0030708300000000, 0.0789518800000000, -0.1336036600000000 ] - [ -0.0007462100000000, 0.0015573900000000, -0.0037222700000000 ] - [ 0.0007758700000000, 0.0015943500000000, -0.0033783500000000 ] - [ -0.0001632000000000, -0.0001187900000000, -0.0013520200000000 ] - [ -0.0011430200000000, -0.0020020500000000, 0.0038378700000000 ] - [ -0.0001929200000000, -0.0015061900000000, 0.0021336000000000 ] - [ -0.0011520700000000, -0.0016525000000000, 0.0024556400000000 ] - [ -0.0004538000000000, -0.0011678600000000, 0.0013160100000000 ] - [ -0.0001772800000000, -0.0026145500000000, 0.0018700000000000 ] - [ -0.0010082100000000, -0.0005211500000000, -0.0000859700000000 ] - [ -0.0001772800000000, 0.0026145500000000, 0.0018700000000000 ] - [ -0.0010082100000000, 0.0005211500000000, -0.0000859700000000 ] - [ -0.0003061300000000, 0.0024470100000000, 0.0026229800000000 ] - [ -0.0009475700000000, 0.0002388100000000, 0.0000275600000000 ] - [ -0.0003061300000000, -0.0024470100000000, 0.0026229800000000 ] - [ -0.0009475700000000, -0.0002388100000000, 0.0000275600000000 ] - [ 0.0005255100000000, -0.0026751900000000, 0.0021809100000000 ] - [ -0.0008099700000000, -0.0007189900000000, 0.0007618700000000 ] - [ 0.0005255100000000, 0.0026751900000000, 0.0021809100000000 ] - [ -0.0008099700000000, 0.0007189900000000, 0.0007618700000000 ] - [ -0.0025458800000000, 0.0025115200000000, 0.0048428100000000 ] - [ 0.0008189000000000, 0.0004409200000000, 0.0000921200000000 ] - [ -0.0025458800000000, -0.0025115200000000, 0.0048428100000000 ] - [ 0.0008189000000000, -0.0004409200000000, 0.0000921200000000 ] - [ -0.0192961000000000, 0.0000000000000000, -0.0967378400000000 ] - [ -0.0035216200000000, 0.0000000000000000, -0.0029285900000000 ] - [ -0.0002022400000000, 0.0000000000000000, -0.0021461600000000 ] - [ 0.0001214100000000, 0.0000000000000000, -0.0006978800000000 ] - [ 0.0014691800000000, 0.0000000000000000, 0.0020024900000000 ] - [ 0.0024507500000000, 0.0000000000000000, 0.0020964100000000 ] - [ 0.0014133700000000, 0.0000000000000000, 0.0013537400000000 ] - [ 0.0015909400000000, 0.0000000000000000, 0.0009172200000000 ]- atom: 49 displacement: [ 0.0099995491105751, 0.0000000000000000, -0.0000949609666999 ] forces: - [ 0.0025518700000000, 0.0000909700000000, 0.0061252200000000 ] - [ 0.0035882500000000, 0.0000565600000000, 0.0037400400000000 ] - [ 0.0035435200000000, -0.0001632500000000, 0.0051739400000000 ] - [ 0.0036504000000000, 0.0000312800000000, 0.0047647100000000 ] - [ 0.0040890200000000, -0.0001434900000000, 0.0032655900000000 ] - [ 0.0023569700000000, -0.0010619900000000, 0.0053346700000000 ] - [ 0.0040385600000000, 0.0002885400000000, 0.0046693600000000 ] - [ 0.0030095200000000, 0.0006144500000000, 0.0048843500000000 ] - [ -0.0046910900000000, 0.0012461500000000, -0.0059637200000000 ] - [ -0.0023324300000000, -0.0002525100000000, -0.0056509100000000 ] - [ -0.0039580900000000, -0.0008920400000000, -0.0047565800000000 ] - [ -0.0041194700000000, 0.0010982100000000, -0.0049607300000000 ] - [ -0.0041010400000000, -0.0000033200000000, -0.0042812300000000 ] - [ -0.0032235800000000, -0.0001327700000000, -0.0044300600000000 ] - [ -0.0036355500000000, -0.0000097200000000, -0.0047477700000000 ] - [ -0.0035250100000000, 0.0001435600000000, -0.0048708600000000 ] - [ 0.0427972700000000, 0.0125429400000000, -0.0037708200000000 ] - [ -0.0008431400000000, 0.0002645100000000, 0.0003420100000000 ] - [ 0.0003171600000000, 0.0000450900000000, -0.0002944200000000 ] - [ -0.0001655600000000, 0.0000573700000000, 0.0000073300000000 ] - [ -0.0001672600000000, 0.0000540500000000, 0.0004036600000000 ] - [ -0.0002988100000000, 0.0000949100000000, 0.0002352100000000 ] - [ -0.0002071700000000, 0.0001057400000000, 0.0003089900000000 ] - [ -0.0001681500000000, 0.0000585000000000, 0.0001597900000000 ] - [ 0.0027282100000000, 0.0009861500000000, -0.0026802900000000 ] - [ -0.0004168100000000, -0.0001894200000000, 0.0000573400000000 ] - [ 0.0029110800000000, -0.0006591500000000, -0.0025545700000000 ] - [ -0.0003855600000000, -0.0000631800000000, 0.0001259800000000 ] - [ -0.0002631800000000, -0.0001255500000000, 0.0004240900000000 ] - [ -0.0002317900000000, -0.0000655600000000, 0.0002397600000000 ] - [ -0.0001300400000000, -0.0000381000000000, 0.0003087600000000 ] - [ -0.0002251000000000, -0.0000840200000000, 0.0001507300000000 ] - [ 0.0028117200000000, -0.0004506300000000, 0.0011344700000000 ] - [ -0.0007475200000000, -0.0001670600000000, 0.0009376400000000 ] - [ 0.0023359300000000, 0.0005768600000000, 0.0007570400000000 ] - [ -0.0001200200000000, 0.0001485500000000, 0.0004097400000000 ] - [ 0.0129150200000000, 0.0219817700000000, 0.0099601800000000 ] - [ -0.0007452000000000, -0.0011958600000000, -0.0018150800000000 ] - [ 0.0012929000000000, 0.0007448900000000, 0.0001725000000000 ] - [ -0.0000693900000000, 0.0006102700000000, -0.0003647000000000 ] - [ 0.0933423000000000, 0.0348567400000000, 0.0131461600000000 ] - [ -0.0047348600000000, -0.0000104100000000, -0.0004819700000000 ] - [ 0.0005573100000000, 0.0006535500000000, -0.0010407800000000 ] - [ -0.0025176200000000, -0.0000494200000000, -0.0006350600000000 ] - [ -0.0001936300000000, -0.0003752300000000, 0.0008534400000000 ] - [ -0.0014830300000000, -0.0001107100000000, -0.0003714200000000 ] - [ -0.0005192800000000, 0.0003952700000000, 0.0007869500000000 ] - [ -0.0008071600000000, 0.0001020000000000, 0.0000120400000000 ] - [ -0.1595839200000000, -0.0304445800000000, 0.0381151200000000 ] - [ 0.0014547500000000, -0.0004972900000000, 0.0000952800000000 ] - [ -0.0001272400000000, -0.0007544000000000, 0.0002319300000000 ] - [ 0.0006900700000000, -0.0004485600000000, 0.0001974400000000 ] - [ 0.0001594200000000, -0.0006137200000000, -0.0004743000000000 ] - [ 0.0005882400000000, -0.0005292000000000, -0.0000004400000000 ] - [ 0.0002292600000000, -0.0009126500000000, -0.0004480800000000 ] - [ 0.0003079200000000, -0.0007136000000000, -0.0001643700000000 ] - [ -0.0006106200000000, 0.0004744900000000, -0.0004567200000000 ] - [ 0.0002420500000000, 0.0005860900000000, -0.0003917500000000 ] - [ -0.0004203600000000, 0.0003369500000000, -0.0002969900000000 ] - [ -0.0000027400000000, 0.0005227800000000, -0.0001599900000000 ] - [ 0.0265670300000000, -0.0269466900000000, -0.0486854200000000 ] - [ 0.0009063300000000, 0.0013258500000000, 0.0009354100000000 ] - [ -0.0005048000000000, 0.0003637700000000, -0.0000344300000000 ] - [ -0.0000523900000000, 0.0004072200000000, 0.0001276600000000 ] - [ -0.0006906200000000, 0.0000264500000000, -0.0002817900000000 ] - [ 0.0009474200000000, 0.0000718900000000, -0.0010752200000000 ] - [ -0.0005727200000000, 0.0000084800000000, -0.0002130300000000 ] - [ 0.0004812900000000, -0.0000925500000000, -0.0005870900000000 ] - [ 0.0015207100000000, -0.0053528800000000, -0.0069851700000000 ] - [ 0.0001788300000000, 0.0002889000000000, 0.0000542900000000 ] - [ -0.0002327200000000, -0.0001505400000000, -0.0000785600000000 ] - [ 0.0002627100000000, -0.0002280800000000, -0.0002770500000000 ] - [ -0.0147852000000000, -0.0066935400000000, 0.0027401100000000 ] - [ 0.0011149500000000, 0.0004368600000000, 0.0002063700000000 ] - [ -0.0014862700000000, 0.0000822000000000, 0.0016647100000000 ] - [ 0.0008846300000000, 0.0005242500000000, 0.0001341900000000 ] - [ 0.0001232400000000, 0.0008726300000000, -0.0004911000000000 ] - [ 0.0004928200000000, 0.0006366700000000, 0.0000164800000000 ] - [ 0.0002802900000000, 0.0006555900000000, -0.0004494900000000 ] - [ 0.0003857300000000, 0.0006122100000000, -0.0001894800000000 ] - [ -0.0005041300000000, -0.0002367800000000, -0.0004846200000000 ] - [ 0.0001065200000000, -0.0004330100000000, -0.0003878600000000 ] - [ -0.0005026700000000, -0.0006082800000000, -0.0002952900000000 ] - [ 0.0001102400000000, -0.0006735100000000, -0.0001465100000000 ] - [ -0.0018293600000000, -0.0054152500000000, 0.0018657700000000 ] - [ 0.0002480800000000, -0.0003671700000000, 0.0005291800000000 ] - [ -0.0018483900000000, -0.0008960300000000, 0.0015287600000000 ] - [ 0.0002465600000000, -0.0009854400000000, 0.0002746200000000 ] - [ 0.0061877800000000, 0.0285739000000000, 0.0275881300000000 ] - [ 0.0013430900000000, -0.0002676700000000, 0.0002138100000000 ] - [ -0.0016820500000000, -0.0001757300000000, 0.0000474200000000 ] - [ 0.0000375400000000, 0.0003581500000000, 0.0002074700000000 ] - [ -0.0014027800000000, 0.0001729400000000, -0.0004390300000000 ] - [ -0.0005592400000000, 0.0000625600000000, 0.0003211600000000 ] - [ -0.0011810700000000, -0.0001939400000000, -0.0003606200000000 ] - [ -0.0010050100000000, -0.0000479900000000, -0.0000858900000000 ] - [ -0.0057295300000000, -0.0222020400000000, -0.0279228600000000 ] - [ 0.0016649300000000, 0.0000359800000000, -0.0001069600000000 ] - [ -0.0008456200000000, 0.0000318600000000, 0.0009246800000000 ] - [ 0.0005226100000000, -0.0000588500000000, 0.0002468000000000 ] - [ -0.0002718000000000, 0.0002219400000000, 0.0000596300000000 ] - [ 0.0002464800000000, 0.0000391600000000, 0.0002307400000000 ] - [ -0.0000468400000000, -0.0002093200000000, -0.0000394000000000 ] - [ 0.0000688400000000, -0.0000407900000000, 0.0002224300000000 ] - [ -0.0000312300000000, 0.0003004300000000, -0.0008029800000000 ] - [ 0.0017544900000000, -0.0000458900000000, 0.0002245900000000 ] - [ 0.0003352900000000, -0.0004015100000000, -0.0004427500000000 ] - [ 0.0014519200000000, 0.0000573800000000, 0.0001567600000000 ] - [ -0.0037913100000000, -0.0019608500000000, -0.0019332600000000 ] - [ 0.0022207100000000, 0.0001808300000000, 0.0005927400000000 ] - [ 0.0005410100000000, -0.0002233300000000, -0.0000275100000000 ] - [ 0.0015864200000000, -0.0000522500000000, 0.0002415800000000 ]- atom: 49 displacement: [ -0.0099995491105751, 0.0000000000000000, 0.0000949609666999 ] forces: - [ 0.0046294000000000, -0.0000952900000000, 0.0035756200000000 ] - [ 0.0036080300000000, -0.0000579600000000, 0.0059562500000000 ] - [ 0.0036470000000000, 0.0001677000000000, 0.0045163200000000 ] - [ 0.0035423800000000, -0.0000289100000000, 0.0049270500000000 ] - [ 0.0031020000000000, 0.0001301500000000, 0.0064273900000000 ] - [ 0.0048366600000000, 0.0010561800000000, 0.0043558700000000 ] - [ 0.0031528200000000, -0.0002811700000000, 0.0050238600000000 ] - [ 0.0041822900000000, -0.0006093000000000, 0.0048081600000000 ] - [ -0.0024979700000000, -0.0012496800000000, -0.0037329200000000 ] - [ -0.0049332700000000, 0.0001802400000000, -0.0040018700000000 ] - [ -0.0032238100000000, 0.0008982200000000, -0.0049329100000000 ] - [ -0.0030880000000000, -0.0010846600000000, -0.0047309600000000 ] - [ -0.0030901600000000, 0.0000032300000000, -0.0054079600000000 ] - [ -0.0039669300000000, 0.0001333200000000, -0.0052575200000000 ] - [ -0.0035535600000000, 0.0000097100000000, -0.0049442800000000 ] - [ -0.0036671400000000, -0.0001442800000000, -0.0048208700000000 ] - [ -0.0409430500000000, -0.0129783600000000, 0.0012625000000000 ] - [ 0.0008522500000000, -0.0002680500000000, -0.0003483500000000 ] - [ -0.0003204000000000, -0.0000391800000000, 0.0002966100000000 ] - [ 0.0001645000000000, -0.0000560400000000, -0.0000070200000000 ] - [ 0.0001664800000000, -0.0000540300000000, -0.0004017700000000 ] - [ 0.0002993800000000, -0.0000948800000000, -0.0002348600000000 ] - [ 0.0002039700000000, -0.0001041100000000, -0.0003054800000000 ] - [ 0.0001667400000000, -0.0000576900000000, -0.0001581100000000 ] - [ -0.0027281500000000, -0.0009772800000000, 0.0026777800000000 ] - [ 0.0004210700000000, 0.0001915400000000, -0.0000595300000000 ] - [ -0.0028402200000000, 0.0006773200000000, 0.0024819200000000 ] - [ 0.0003875700000000, 0.0000630400000000, -0.0001286300000000 ] - [ 0.0002621000000000, 0.0001251700000000, -0.0004227900000000 ] - [ 0.0002325500000000, 0.0000657500000000, -0.0002399500000000 ] - [ 0.0001270600000000, 0.0000370400000000, -0.0003045800000000 ] - [ 0.0002234500000000, 0.0000831800000000, -0.0001483800000000 ] - [ -0.0013390800000000, 0.0004431600000000, -0.0006823500000000 ] - [ 0.0022276400000000, 0.0001638500000000, -0.0004942700000000 ] - [ -0.0008544800000000, -0.0005695100000000, -0.0002928300000000 ] - [ 0.0015958900000000, -0.0001448500000000, 0.0000449400000000 ] - [ -0.0114737400000000, -0.0219722600000000, -0.0095213300000000 ] - [ 0.0022298600000000, 0.0012021300000000, 0.0022725400000000 ] - [ 0.0001781600000000, -0.0007072200000000, 0.0002494100000000 ] - [ 0.0015474800000000, -0.0006107000000000, 0.0008109500000000 ] - [ -0.0953496600000000, -0.0355729300000000, -0.0143764500000000 ] - [ 0.0032653500000000, -0.0000017200000000, 0.0000229500000000 ] - [ -0.0020369100000000, -0.0006130500000000, 0.0005856200000000 ] - [ 0.0010477800000000, 0.0000611100000000, 0.0001837400000000 ] - [ -0.0012855100000000, 0.0003712500000000, -0.0012938500000000 ] - [ 0.0000115600000000, 0.0001073600000000, -0.0000728700000000 ] - [ -0.0009572400000000, -0.0003909900000000, -0.0012321300000000 ] - [ -0.0006671600000000, -0.0000987500000000, -0.0004586100000000 ] - [ 0.1580139300000000, 0.0304192700000000, -0.0349166900000000 ] - [ -0.0010056400000000, -0.0006833600000000, -0.0000678200000000 ] - [ 0.0005811500000000, -0.0004566800000000, -0.0002185600000000 ] - [ -0.0002389600000000, -0.0007464000000000, -0.0001789700000000 ] - [ 0.0002945500000000, -0.0005738000000000, 0.0004916200000000 ] - [ -0.0001364000000000, -0.0006588500000000, 0.0000197800000000 ] - [ 0.0002257800000000, -0.0002778900000000, 0.0004653600000000 ] - [ 0.0001458400000000, -0.0004763400000000, 0.0001826100000000 ] - [ 0.0001592000000000, 0.0007166500000000, 0.0004349000000000 ] - [ -0.0006945500000000, 0.0006054700000000, 0.0003727100000000 ] - [ -0.0000312000000000, 0.0008467300000000, 0.0002699000000000 ] - [ -0.0004490500000000, 0.0006627800000000, 0.0001358200000000 ] - [ -0.0266349500000000, 0.0279238000000000, 0.0480487000000000 ] - [ -0.0013670800000000, -0.0001392900000000, -0.0009588200000000 ] - [ 0.0000540200000000, 0.0008138000000000, 0.0000128100000000 ] - [ -0.0003994500000000, 0.0007798600000000, -0.0001470500000000 ] - [ 0.0008309600000000, -0.0000223500000000, -0.0004269500000000 ] - [ -0.0008116900000000, -0.0000695700000000, 0.0003736300000000 ] - [ 0.0007104500000000, -0.0000110900000000, -0.0004989200000000 ] - [ -0.0003403500000000, 0.0000913100000000, -0.0001222000000000 ] - [ -0.0013534300000000, 0.0053369500000000, 0.0062435200000000 ] - [ -0.0000413300000000, -0.0002898200000000, -0.0007640700000000 ] - [ 0.0003693600000000, 0.0001431700000000, -0.0006195600000000 ] - [ -0.0001243400000000, 0.0002291700000000, -0.0004293600000000 ] - [ 0.0152040300000000, 0.0077013400000000, -0.0027732600000000 ] - [ -0.0006641900000000, 0.0007552000000000, -0.0001849900000000 ] - [ 0.0019411600000000, 0.0010833500000000, -0.0016330600000000 ] - [ -0.0004340700000000, 0.0006596300000000, -0.0001111000000000 ] - [ 0.0003316800000000, 0.0003184100000000, 0.0005061300000000 ] - [ -0.0000395000000000, 0.0005532200000000, 0.0000008400000000 ] - [ 0.0001739800000000, 0.0005321600000000, 0.0004683000000000 ] - [ 0.0000667300000000, 0.0005763200000000, 0.0002090000000000 ] - [ 0.0000529600000000, -0.0009495600000000, 0.0004621900000000 ] - [ -0.0005602300000000, -0.0007551300000000, 0.0003683800000000 ] - [ 0.0000506700000000, -0.0005798300000000, 0.0002693500000000 ] - [ -0.0005610100000000, -0.0005152400000000, 0.0001231400000000 ] - [ 0.0013810300000000, 0.0042172700000000, -0.0018823200000000 ] - [ -0.0007037900000000, -0.0008245100000000, -0.0005508000000000 ] - [ 0.0013688500000000, -0.0003189800000000, -0.0015031500000000 ] - [ -0.0007003300000000, -0.0002010300000000, -0.0002921100000000 ] - [ -0.0079036200000000, -0.0281327100000000, -0.0270858100000000 ] - [ -0.0033682600000000, 0.0002737500000000, -0.0002687600000000 ] - [ -0.0003382700000000, 0.0001677900000000, -0.0001044200000000 ] - [ -0.0020668700000000, -0.0003663500000000, -0.0002678400000000 ] - [ -0.0006227800000000, -0.0001719800000000, 0.0003772800000000 ] - [ -0.0014693400000000, -0.0000619800000000, -0.0003848500000000 ] - [ -0.0008423000000000, 0.0001925100000000, 0.0002999600000000 ] - [ -0.0010198400000000, 0.0000469400000000, 0.0000249700000000 ] - [ 0.0056456200000000, 0.0222273900000000, 0.0289022100000000 ] - [ -0.0018086100000000, -0.0000335700000000, 0.0008168900000000 ] - [ 0.0007070300000000, -0.0000414200000000, -0.0002154700000000 ] - [ -0.0006625700000000, 0.0000560200000000, 0.0004605900000000 ] - [ 0.0001349400000000, -0.0002201800000000, 0.0006446400000000 ] - [ -0.0003857300000000, -0.0000385700000000, 0.0004744400000000 ] - [ -0.0000908900000000, 0.0002074500000000, 0.0007440400000000 ] - [ -0.0002074900000000, 0.0000397500000000, 0.0004830800000000 ] - [ 0.0020581200000000, -0.0002961800000000, 0.0008640800000000 ] - [ 0.0002694800000000, 0.0000472100000000, -0.0001633600000000 ] - [ 0.0016873900000000, 0.0003972500000000, 0.0004963300000000 ] - [ 0.0005748800000000, -0.0000580900000000, -0.0000984600000000 ] - [ 0.0058240400000000, 0.0019515200000000, 0.0019801400000000 ] - [ -0.0002014800000000, -0.0001814300000000, -0.0005366500000000 ] - [ 0.0014899200000000, 0.0002187900000000, 0.0000944800000000 ] - [ 0.0004368000000000, 0.0000521200000000, -0.0001825000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0047211700000000, 0.0006133000000000, 0.0037413500000000 ] - [ 0.0027043400000000, 0.0006045900000000, 0.0033531800000000 ] - [ 0.0035840400000000, -0.0005799000000000, 0.0049713500000000 ] - [ 0.0035577100000000, -0.0005118800000000, 0.0049455200000000 ] - [ 0.0031850300000000, 0.0027797800000000, 0.0048388900000000 ] - [ 0.0042367400000000, 0.0016840700000000, 0.0047940700000000 ] - [ 0.0032905700000000, -0.0012772000000000, 0.0046407200000000 ] - [ 0.0039531100000000, -0.0011428900000000, 0.0047540800000000 ] - [ -0.0017284300000000, 0.0004323200000000, -0.0030861300000000 ] - [ -0.0038623600000000, 0.0015211400000000, -0.0038324900000000 ] - [ -0.0052687200000000, -0.0017305100000000, -0.0049893500000000 ] - [ -0.0012621900000000, -0.0021718800000000, -0.0054244600000000 ] - [ -0.0031593900000000, 0.0000805100000000, -0.0055867100000000 ] - [ -0.0039039500000000, 0.0000925400000000, -0.0056708300000000 ] - [ -0.0037221900000000, -0.0000682100000000, -0.0049981000000000 ] - [ -0.0035152600000000, -0.0000835200000000, -0.0048516200000000 ] - [ 0.0226884000000000, 0.0157902500000000, -0.0194148800000000 ] - [ -0.0009000700000000, 0.0004882900000000, 0.0008933100000000 ] - [ 0.0007063400000000, -0.0010894000000000, -0.0004875200000000 ] - [ 0.0002159600000000, -0.0001855600000000, -0.0000084500000000 ] - [ 0.0001126900000000, 0.0000208400000000, -0.0003134300000000 ] - [ -0.0001097000000000, 0.0000833600000000, -0.0000892300000000 ] - [ 0.0007862800000000, -0.0003368100000000, -0.0008265300000000 ] - [ 0.0004149200000000, -0.0001985100000000, -0.0004553100000000 ] - [ -0.0012916700000000, -0.0018531200000000, 0.0011507900000000 ] - [ -0.0005094100000000, -0.0002833000000000, 0.0004157200000000 ] - [ -0.0116211100000000, -0.0030891900000000, 0.0127448100000000 ] - [ -0.0000386300000000, 0.0000381000000000, 0.0003292100000000 ] - [ 0.0001028200000000, 0.0000195600000000, -0.0001789500000000 ] - [ -0.0000006700000000, -0.0000060600000000, -0.0000833700000000 ] - [ 0.0007906000000000, 0.0003010900000000, -0.0009658900000000 ] - [ 0.0003099800000000, 0.0001205900000000, -0.0004608200000000 ] - [ 0.0005073000000000, 0.0011811000000000, 0.0011195200000000 ] - [ 0.0004524800000000, 0.0005550900000000, 0.0007875700000000 ] - [ 0.0008901900000000, -0.0013483200000000, -0.0025708600000000 ] - [ 0.0004691000000000, -0.0005663900000000, -0.0007786200000000 ] - [ -0.0028983100000000, -0.0184776900000000, -0.0108415700000000 ] - [ 0.0004885500000000, 0.0000251900000000, 0.0000921700000000 ] - [ 0.0009768500000000, -0.0060143100000000, 0.0042810700000000 ] - [ 0.0011831400000000, -0.0006755700000000, 0.0009745700000000 ] - [ 0.0280796500000000, 0.1924710400000000, 0.0922377300000000 ] - [ -0.0008394200000000, 0.0022893900000000, 0.0019504300000000 ] - [ -0.0002488300000000, -0.0085035300000000, 0.0020834900000000 ] - [ -0.0009676300000000, -0.0021234500000000, 0.0002130800000000 ] - [ -0.0008315700000000, 0.0011834200000000, -0.0017043700000000 ] - [ -0.0007932200000000, 0.0006924300000000, -0.0011876600000000 ] - [ -0.0007721300000000, -0.0012020000000000, -0.0013260300000000 ] - [ -0.0008697400000000, -0.0006908500000000, -0.0008471700000000 ] - [ -0.0322861000000000, -0.2607453300000000, -0.1436450700000000 ] - [ 0.0003090600000000, -0.0022037400000000, -0.0014497400000000 ] - [ 0.0000916100000000, 0.0036400000000000, 0.0011374700000000 ] - [ 0.0003779600000000, 0.0003729100000000, 0.0001645700000000 ] - [ 0.0002113400000000, -0.0008359500000000, 0.0004490900000000 ] - [ 0.0002959100000000, -0.0008052200000000, 0.0003323000000000 ] - [ -0.0000817700000000, 0.0001696100000000, 0.0008716100000000 ] - [ 0.0001129000000000, -0.0001164800000000, 0.0005204000000000 ] - [ -0.0003512700000000, -0.0002038400000000, -0.0000871900000000 ] - [ -0.0002399000000000, 0.0000629000000000, -0.0001586200000000 ] - [ -0.0004700700000000, 0.0016659300000000, 0.0012759500000000 ] - [ -0.0002919800000000, 0.0011568700000000, 0.0006178200000000 ] - [ -0.0274687600000000, 0.0092522700000000, 0.0338840000000000 ] - [ 0.0005013000000000, 0.0001656500000000, -0.0002250200000000 ] - [ -0.0004488900000000, 0.0024944100000000, 0.0002189500000000 ] - [ -0.0004181400000000, 0.0009307800000000, -0.0002511600000000 ] - [ 0.0001410700000000, -0.0004817900000000, -0.0011909100000000 ] - [ 0.0004301600000000, -0.0002133100000000, -0.0009332900000000 ] - [ -0.0002471400000000, 0.0007384500000000, 0.0009894900000000 ] - [ -0.0001651800000000, 0.0001923700000000, 0.0000969600000000 ] - [ -0.0022013000000000, 0.0039369300000000, 0.0052010500000000 ] - [ 0.0002530400000000, -0.0000575800000000, -0.0002277600000000 ] - [ 0.0010710000000000, 0.0011837100000000, -0.0021924400000000 ] - [ 0.0001048000000000, 0.0001265000000000, -0.0005822800000000 ] - [ 0.0075385100000000, 0.0467868900000000, 0.0059950000000000 ] - [ 0.0003869600000000, 0.0000557600000000, -0.0004344000000000 ] - [ 0.0007075600000000, 0.0064934600000000, -0.0028132600000000 ] - [ 0.0002873100000000, 0.0016649600000000, -0.0006769200000000 ] - [ -0.0000388800000000, -0.0001831900000000, 0.0010806200000000 ] - [ 0.0001946100000000, 0.0001543700000000, 0.0007115700000000 ] - [ 0.0001669300000000, 0.0008565700000000, 0.0002427600000000 ] - [ 0.0002085900000000, 0.0007700100000000, 0.0001316500000000 ] - [ -0.0002117400000000, -0.0006878600000000, 0.0000129700000000 ] - [ -0.0001471700000000, -0.0006154000000000, -0.0000045300000000 ] - [ -0.0005762300000000, -0.0006867300000000, 0.0011088300000000 ] - [ -0.0003870300000000, -0.0006152000000000, 0.0004772600000000 ] - [ 0.0000653700000000, 0.0032745400000000, -0.0007732200000000 ] - [ 0.0001655700000000, -0.0003545300000000, -0.0000483900000000 ] - [ 0.0045449900000000, 0.0032482900000000, -0.0076316800000000 ] - [ -0.0004689100000000, -0.0003588400000000, -0.0007052900000000 ] - [ 0.0086743900000000, 0.0005958100000000, 0.0134742100000000 ] - [ -0.0013664900000000, -0.0008873800000000, -0.0006209700000000 ] - [ -0.0015553700000000, 0.0016981800000000, -0.0006430400000000 ] - [ -0.0009122000000000, 0.0009463700000000, -0.0001484200000000 ] - [ -0.0008404000000000, -0.0003721300000000, 0.0004002600000000 ] - [ -0.0008782700000000, -0.0002036600000000, 0.0001768700000000 ] - [ -0.0008992100000000, 0.0003868200000000, 0.0002939200000000 ] - [ -0.0008502400000000, 0.0002148700000000, 0.0001841900000000 ] - [ -0.0016884700000000, 0.0034909100000000, 0.0160546900000000 ] - [ 0.0006214000000000, -0.0006081000000000, -0.0003141500000000 ] - [ 0.0002072800000000, 0.0017175900000000, -0.0004071300000000 ] - [ 0.0000825600000000, 0.0005916900000000, 0.0001343200000000 ] - [ -0.0002602200000000, -0.0004893400000000, 0.0009920800000000 ] - [ -0.0002829600000000, -0.0002128800000000, 0.0007491300000000 ] - [ -0.0002512800000000, 0.0004773700000000, 0.0008806100000000 ] - [ -0.0001921700000000, 0.0002162500000000, 0.0006391100000000 ] - [ 0.0008860800000000, -0.0004504100000000, -0.0004354000000000 ] - [ 0.0011168800000000, -0.0002415800000000, -0.0003017100000000 ] - [ 0.0010919500000000, 0.0005690500000000, 0.0008856500000000 ] - [ 0.0012738900000000, 0.0002377500000000, 0.0004346900000000 ] - [ 0.0028576900000000, 0.0021534200000000, 0.0028396700000000 ] - [ 0.0009639100000000, 0.0000175100000000, 0.0001300100000000 ] - [ 0.0005318400000000, 0.0009599400000000, -0.0010837500000000 ] - [ 0.0007099500000000, 0.0001048900000000, -0.0001362300000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024790900000000, -0.0006125900000000, 0.0059428300000000 ] - [ 0.0044790300000000, -0.0006056700000000, 0.0063358300000000 ] - [ 0.0036065000000000, 0.0005795100000000, 0.0047208400000000 ] - [ 0.0036305300000000, 0.0005123300000000, 0.0047475500000000 ] - [ 0.0039915000000000, -0.0027633100000000, 0.0048450900000000 ] - [ 0.0029704500000000, -0.0016674500000000, 0.0049069600000000 ] - [ 0.0038963000000000, 0.0012694800000000, 0.0050583600000000 ] - [ 0.0032413600000000, 0.0011328300000000, 0.0049430100000000 ] - [ -0.0054614700000000, -0.0004371100000000, -0.0065936100000000 ] - [ -0.0033735000000000, -0.0015452800000000, -0.0058304500000000 ] - [ -0.0019348000000000, 0.0017261600000000, -0.0047092100000000 ] - [ -0.0058987300000000, 0.0021568000000000, -0.0042793500000000 ] - [ -0.0040224300000000, -0.0000824700000000, -0.0041203700000000 ] - [ -0.0032892700000000, -0.0000949100000000, -0.0040345700000000 ] - [ -0.0034672300000000, 0.0000699900000000, -0.0046997600000000 ] - [ -0.0036731000000000, 0.0000857900000000, -0.0048449800000000 ] - [ -0.0227208100000000, -0.0163971700000000, 0.0190439800000000 ] - [ 0.0008987100000000, -0.0004883100000000, -0.0008882200000000 ] - [ -0.0007160500000000, 0.0010844900000000, 0.0004997900000000 ] - [ -0.0002197700000000, 0.0001873000000000, 0.0000152200000000 ] - [ -0.0001021500000000, -0.0000249000000000, 0.0003001900000000 ] - [ 0.0001169400000000, -0.0000868200000000, 0.0000801900000000 ] - [ -0.0007823100000000, 0.0003360000000000, 0.0008213700000000 ] - [ -0.0004124200000000, 0.0001980800000000, 0.0004523200000000 ] - [ 0.0012479200000000, 0.0018387200000000, -0.0010999000000000 ] - [ 0.0005032900000000, 0.0002797900000000, -0.0004069600000000 ] - [ 0.0114812600000000, 0.0030782500000000, -0.0125869600000000 ] - [ 0.0000406100000000, -0.0000364800000000, -0.0003265700000000 ] - [ -0.0000981700000000, -0.0000184900000000, 0.0001725200000000 ] - [ 0.0000032600000000, 0.0000067700000000, 0.0000796500000000 ] - [ -0.0007805400000000, -0.0002974500000000, 0.0009537000000000 ] - [ -0.0003027600000000, -0.0001176100000000, 0.0004524500000000 ] - [ 0.0009780000000000, -0.0011815800000000, -0.0006769000000000 ] - [ 0.0010345300000000, -0.0005602400000000, -0.0003317200000000 ] - [ 0.0005891300000000, 0.0013475300000000, 0.0030123800000000 ] - [ 0.0010194200000000, 0.0005712200000000, 0.0012333100000000 ] - [ 0.0042299900000000, 0.0181455100000000, 0.0111598600000000 ] - [ 0.0010102300000000, -0.0000429900000000, 0.0003814800000000 ] - [ 0.0005063500000000, 0.0059824700000000, -0.0037747500000000 ] - [ 0.0003138700000000, 0.0006876300000000, -0.0005001900000000 ] - [ -0.0278451900000000, -0.1837518700000000, -0.0850020600000000 ] - [ -0.0006385000000000, -0.0022829400000000, -0.0023930500000000 ] - [ -0.0012401400000000, 0.0084705700000000, -0.0025450200000000 ] - [ -0.0005128000000000, 0.0021198200000000, -0.0006628200000000 ] - [ -0.0006594100000000, -0.0011792200000000, 0.0012133800000000 ] - [ -0.0006946700000000, -0.0006913500000000, 0.0007084000000000 ] - [ -0.0007190600000000, 0.0011973200000000, 0.0008486300000000 ] - [ -0.0006144900000000, 0.0006898000000000, 0.0003783200000000 ] - [ 0.0312837200000000, 0.2496543200000000, 0.1350858700000000 ] - [ 0.0001467400000000, 0.0010176900000000, 0.0014567700000000 ] - [ 0.0003656200000000, -0.0048121400000000, -0.0011213400000000 ] - [ 0.0000759400000000, -0.0015615400000000, -0.0001552000000000 ] - [ 0.0002409600000000, -0.0003403900000000, -0.0004136400000000 ] - [ 0.0001580700000000, -0.0003741400000000, -0.0003043000000000 ] - [ 0.0005347300000000, -0.0013520700000000, -0.0008466700000000 ] - [ 0.0003398200000000, -0.0010688500000000, -0.0004992600000000 ] - [ -0.0001056200000000, 0.0013940300000000, 0.0000828100000000 ] - [ -0.0002164900000000, 0.0011267300000000, 0.0001495100000000 ] - [ 0.0000162200000000, -0.0004758800000000, -0.0012856300000000 ] - [ -0.0001629900000000, 0.0000294900000000, -0.0006322300000000 ] - [ 0.0267643200000000, -0.0075939800000000, -0.0334446700000000 ] - [ -0.0009549800000000, 0.0010232500000000, 0.0002038400000000 ] - [ -0.0000019500000000, -0.0013086300000000, -0.0002507000000000 ] - [ -0.0000387700000000, 0.0002459500000000, 0.0002204000000000 ] - [ 0.0000174200000000, 0.0004797900000000, 0.0004690700000000 ] - [ -0.0002720300000000, 0.0002136000000000, 0.0002051400000000 ] - [ 0.0004024900000000, -0.0007372100000000, -0.0017044900000000 ] - [ 0.0003166900000000, -0.0001921000000000, -0.0008165800000000 ] - [ 0.0023375400000000, -0.0038654000000000, -0.0058351600000000 ] - [ -0.0000955100000000, 0.0000612300000000, -0.0005007300000000 ] - [ -0.0009105900000000, -0.0011753500000000, 0.0014539800000000 ] - [ 0.0000465600000000, -0.0001294300000000, -0.0001418000000000 ] - [ -0.0069762400000000, -0.0440143500000000, -0.0058962100000000 ] - [ 0.0000710700000000, 0.0011185000000000, 0.0004472500000000 ] - [ -0.0002406100000000, -0.0053002500000000, 0.0027945700000000 ] - [ 0.0001654400000000, -0.0004676200000000, 0.0006814200000000 ] - [ 0.0004921000000000, 0.0013539900000000, -0.0010454200000000 ] - [ 0.0002613000000000, 0.0010190700000000, -0.0006829400000000 ] - [ 0.0002848700000000, 0.0003319600000000, -0.0002181200000000 ] - [ 0.0002424400000000, 0.0004202400000000, -0.0001117400000000 ] - [ -0.0002414700000000, -0.0005032600000000, -0.0000213400000000 ] - [ -0.0003060200000000, -0.0005722400000000, -0.0000083200000000 ] - [ 0.0001183900000000, -0.0005028000000000, -0.0011132500000000 ] - [ -0.0000716000000000, -0.0005732000000000, -0.0004874900000000 ] - [ -0.0004959300000000, -0.0043727900000000, 0.0007152500000000 ] - [ -0.0006178500000000, -0.0008224100000000, 0.0000204000000000 ] - [ -0.0049400600000000, -0.0044000800000000, 0.0075224700000000 ] - [ 0.0000079800000000, -0.0008267400000000, 0.0006790300000000 ] - [ -0.0104850500000000, -0.0007481900000000, -0.0133820200000000 ] - [ -0.0006545900000000, 0.0008819700000000, 0.0005441500000000 ] - [ -0.0004352400000000, -0.0016913400000000, 0.0005790000000000 ] - [ -0.0010900300000000, -0.0009420900000000, 0.0000802000000000 ] - [ -0.0011745400000000, 0.0003681600000000, -0.0004597500000000 ] - [ -0.0011289900000000, 0.0002015900000000, -0.0002407300000000 ] - [ -0.0010953100000000, -0.0003831700000000, -0.0003524100000000 ] - [ -0.0011472500000000, -0.0002131900000000, -0.0002474600000000 ] - [ 0.0014315700000000, -0.0034121800000000, -0.0148191900000000 ] - [ -0.0007677000000000, 0.0006047900000000, 0.0010263200000000 ] - [ -0.0003669200000000, -0.0017087800000000, 0.0011356700000000 ] - [ -0.0002406100000000, -0.0005895600000000, 0.0005910700000000 ] - [ 0.0001065300000000, 0.0004841600000000, -0.0002598500000000 ] - [ 0.0001309200000000, 0.0002099300000000, -0.0000226900000000 ] - [ 0.0000909300000000, -0.0004725700000000, -0.0001432700000000 ] - [ 0.0000297900000000, -0.0002142100000000, 0.0000954200000000 ] - [ 0.0011141200000000, 0.0004486200000000, 0.0005028300000000 ] - [ 0.0008829200000000, 0.0002423200000000, 0.0003669300000000 ] - [ 0.0009184900000000, -0.0005662300000000, -0.0008107000000000 ] - [ 0.0007325100000000, -0.0002381300000000, -0.0003652900000000 ] - [ -0.0007974600000000, -0.0021189400000000, -0.0027455800000000 ] - [ 0.0010358000000000, -0.0000126300000000, -0.0000659200000000 ] - [ 0.0014805500000000, -0.0009568800000000, 0.0011410900000000 ] - [ 0.0012993200000000, -0.0001083700000000, 0.0002014600000000 ]- atom: 49 displacement: [ -0.0018484943313082, 0.0000000000000000, 0.0098276685285535 ] forces: - [ 0.0057972500000000, 0.0002196000000000, 0.0023723400000000 ] - [ 0.0022385200000000, 0.0002337800000000, 0.0029179300000000 ] - [ 0.0036972600000000, -0.0000933900000000, 0.0045808700000000 ] - [ 0.0034192300000000, -0.0001704900000000, 0.0047737100000000 ] - [ 0.0022406900000000, 0.0014203300000000, 0.0047931800000000 ] - [ 0.0053929400000000, 0.0019506500000000, 0.0045058100000000 ] - [ 0.0029364200000000, -0.0010078000000000, 0.0048712400000000 ] - [ 0.0044723300000000, -0.0011962100000000, 0.0048151600000000 ] - [ -0.0036205800000000, 0.0010441600000000, -0.0023703700000000 ] - [ -0.0049622900000000, 0.0007477300000000, -0.0020578100000000 ] - [ -0.0044808000000000, -0.0015065400000000, -0.0042114900000000 ] - [ -0.0023560400000000, -0.0022088900000000, -0.0038906200000000 ] - [ -0.0028841100000000, 0.0000161000000000, -0.0062713000000000 ] - [ -0.0040960000000000, -0.0000672600000000, -0.0063629900000000 ] - [ -0.0036091900000000, 0.0000026300000000, -0.0054492900000000 ] - [ -0.0035913600000000, 0.0000885900000000, -0.0054552500000000 ] - [ -0.0032900500000000, -0.0137430000000000, 0.0065072700000000 ] - [ -0.0010533700000000, 0.0005027300000000, 0.0016239100000000 ] - [ -0.0003332000000000, -0.0001793700000000, 0.0006247300000000 ] - [ -0.0003681400000000, 0.0001001700000000, 0.0007009900000000 ] - [ 0.0011225700000000, -0.0003451400000000, -0.0015843200000000 ] - [ 0.0005605300000000, -0.0001881100000000, -0.0009006900000000 ] - [ 0.0011383600000000, -0.0004570700000000, -0.0013196200000000 ] - [ 0.0006224400000000, -0.0002582800000000, -0.0007685500000000 ] - [ -0.0039386200000000, -0.0021373500000000, 0.0044691600000000 ] - [ -0.0006205500000000, -0.0002727400000000, 0.0010322800000000 ] - [ -0.0040673000000000, 0.0003672200000000, 0.0055194800000000 ] - [ -0.0007733800000000, -0.0003091800000000, 0.0012576000000000 ] - [ 0.0010336100000000, 0.0003798000000000, -0.0012914700000000 ] - [ 0.0005086500000000, 0.0001820600000000, -0.0007043000000000 ] - [ 0.0012518500000000, 0.0004302300000000, -0.0016441200000000 ] - [ 0.0006679000000000, 0.0002597000000000, -0.0009562300000000 ] - [ 0.0001503200000000, 0.0017187700000000, -0.0029614500000000 ] - [ 0.0010231100000000, 0.0006822600000000, -0.0010726700000000 ] - [ -0.0000452300000000, -0.0019295400000000, -0.0032129200000000 ] - [ 0.0006239100000000, -0.0006625000000000, -0.0011807300000000 ] - [ -0.0118034000000000, -0.0340179600000000, -0.0170636800000000 ] - [ 0.0009791800000000, -0.0004512500000000, 0.0021938100000000 ] - [ 0.0013870400000000, -0.0012862900000000, 0.0014512600000000 ] - [ 0.0008906900000000, 0.0001004900000000, 0.0016037600000000 ] - [ -0.0082468100000000, 0.0733536100000000, 0.1347550300000000 ] - [ 0.0008310300000000, 0.0010999400000000, 0.0036863300000000 ] - [ -0.0007700000000000, -0.0035524700000000, 0.0033322900000000 ] - [ 0.0002064800000000, -0.0008674700000000, 0.0013073700000000 ] - [ -0.0006013000000000, 0.0008747900000000, -0.0042167400000000 ] - [ -0.0015905300000000, 0.0004257000000000, -0.0025204200000000 ] - [ -0.0008641900000000, -0.0008952400000000, -0.0028873300000000 ] - [ -0.0010126300000000, -0.0004231000000000, -0.0016458400000000 ] - [ 0.0611306000000000, -0.1336070900000000, -0.2143800600000000 ] - [ 0.0000557700000000, -0.0020363800000000, -0.0022916600000000 ] - [ 0.0005076300000000, 0.0005370600000000, -0.0006488400000000 ] - [ 0.0003170900000000, -0.0004618600000000, -0.0007743900000000 ] - [ -0.0002157600000000, -0.0001695600000000, 0.0019050300000000 ] - [ 0.0001605700000000, -0.0002948700000000, 0.0012240800000000 ] - [ -0.0002075100000000, 0.0003093400000000, 0.0015087800000000 ] - [ 0.0000499900000000, -0.0000698500000000, 0.0009021400000000 ] - [ -0.0005763700000000, 0.0005285100000000, 0.0015601900000000 ] - [ -0.0006809700000000, 0.0004406700000000, 0.0008603600000000 ] - [ -0.0004499200000000, 0.0018971700000000, 0.0017450500000000 ] - [ -0.0004041900000000, 0.0012193400000000, 0.0009308700000000 ] - [ -0.0516143600000000, 0.0385158200000000, 0.0603396600000000 ] - [ 0.0004791500000000, 0.0002477700000000, -0.0014574000000000 ] - [ -0.0002027400000000, 0.0008648000000000, -0.0005518700000000 ] - [ -0.0001325900000000, 0.0003990500000000, -0.0009151700000000 ] - [ 0.0000407000000000, -0.0008540100000000, 0.0008713700000000 ] - [ -0.0004360500000000, -0.0002603000000000, 0.0001960800000000 ] - [ -0.0000465900000000, 0.0009235600000000, 0.0009393200000000 ] - [ -0.0003301500000000, 0.0002702900000000, 0.0001993500000000 ] - [ -0.0027946700000000, 0.0073011100000000, 0.0097453800000000 ] - [ 0.0006169200000000, 0.0001827500000000, -0.0007839800000000 ] - [ 0.0003067500000000, 0.0002864400000000, -0.0009295900000000 ] - [ 0.0004586600000000, -0.0001805900000000, -0.0007726600000000 ] - [ 0.0054898000000000, -0.0040813800000000, -0.0184376600000000 ] - [ 0.0002363500000000, 0.0010555000000000, -0.0016989700000000 ] - [ 0.0021214900000000, 0.0034288600000000, -0.0040972300000000 ] - [ 0.0002126100000000, 0.0012698700000000, -0.0012160900000000 ] - [ -0.0002230500000000, -0.0004982900000000, 0.0021063400000000 ] - [ 0.0001972700000000, -0.0000974400000000, 0.0013444400000000 ] - [ -0.0002205800000000, 0.0003555400000000, 0.0013293300000000 ] - [ 0.0000088500000000, 0.0004701200000000, 0.0007634300000000 ] - [ -0.0004352300000000, -0.0017465700000000, 0.0016751600000000 ] - [ -0.0004123800000000, -0.0010947500000000, 0.0009118500000000 ] - [ -0.0006218400000000, -0.0006060400000000, 0.0016407200000000 ] - [ -0.0006518500000000, -0.0005790700000000, 0.0008671600000000 ] - [ 0.0015233000000000, 0.0077084200000000, -0.0035510500000000 ] - [ -0.0000484100000000, 0.0000415500000000, -0.0012839400000000 ] - [ 0.0018633400000000, 0.0001776900000000, -0.0034664400000000 ] - [ 0.0002037400000000, -0.0004879900000000, -0.0012360600000000 ] - [ 0.0144062800000000, 0.0166393000000000, -0.0008596500000000 ] - [ -0.0026032900000000, -0.0002130800000000, -0.0012413400000000 ] - [ -0.0014152500000000, 0.0007336600000000, -0.0009390300000000 ] - [ -0.0017449600000000, 0.0001026400000000, -0.0004674400000000 ] - [ -0.0007403100000000, -0.0003449000000000, 0.0010766300000000 ] - [ -0.0002902300000000, -0.0001304900000000, 0.0010183600000000 ] - [ -0.0007587400000000, 0.0003698300000000, 0.0007512900000000 ] - [ -0.0007102000000000, 0.0001545800000000, 0.0004262000000000 ] - [ -0.0070965000000000, 0.0386583000000000, 0.0337504600000000 ] - [ 0.0004099000000000, -0.0003211400000000, -0.0006592400000000 ] - [ 0.0007836700000000, 0.0006325200000000, -0.0011139400000000 ] - [ -0.0000173600000000, 0.0002735800000000, -0.0001199600000000 ] - [ -0.0008079400000000, -0.0004511500000000, 0.0022375900000000 ] - [ -0.0003457700000000, -0.0001420500000000, 0.0012489100000000 ] - [ -0.0004433600000000, 0.0004360800000000, 0.0015297600000000 ] - [ -0.0003244700000000, 0.0001483400000000, 0.0009526600000000 ] - [ 0.0014585500000000, -0.0007727700000000, 0.0009754100000000 ] - [ 0.0010299300000000, -0.0002576400000000, 0.0001277400000000 ] - [ 0.0014617400000000, 0.0009580500000000, 0.0011253500000000 ] - [ 0.0012686100000000, 0.0002534900000000, 0.0004090000000000 ] - [ 0.0053122500000000, 0.0039295500000000, 0.0037837400000000 ] - [ 0.0003775300000000, 0.0001389000000000, -0.0002983400000000 ] - [ 0.0006041300000000, 0.0000033700000000, -0.0002762300000000 ] - [ 0.0006971600000000, -0.0000785500000000, -0.0002062900000000 ]- atom: 49 displacement: [ 0.0018484943313082, 0.0000000000000000, -0.0098276685285535 ] forces: - [ 0.0014062100000000, -0.0002171800000000, 0.0073105800000000 ] - [ 0.0049535900000000, -0.0002340800000000, 0.0067828300000000 ] - [ 0.0034941900000000, 0.0000933900000000, 0.0051128700000000 ] - [ 0.0037727600000000, 0.0001710500000000, 0.0049201400000000 ] - [ 0.0049376900000000, -0.0014154200000000, 0.0048554500000000 ] - [ 0.0017939200000000, -0.0019604900000000, 0.0051852400000000 ] - [ 0.0042567100000000, 0.0010146800000000, 0.0048193100000000 ] - [ 0.0027172900000000, 0.0012025100000000, 0.0048755100000000 ] - [ -0.0035636900000000, -0.0010520300000000, -0.0073300100000000 ] - [ -0.0022747200000000, -0.0007836200000000, -0.0076268400000000 ] - [ -0.0026993800000000, 0.0015146200000000, -0.0054781900000000 ] - [ -0.0048422100000000, 0.0022062800000000, -0.0057895500000000 ] - [ -0.0043097200000000, -0.0000155500000000, -0.0034162600000000 ] - [ -0.0030923900000000, 0.0000690200000000, -0.0033234400000000 ] - [ -0.0035809000000000, -0.0000032800000000, -0.0042428900000000 ] - [ -0.0036000500000000, -0.0000906300000000, -0.0042366300000000 ] - [ 0.0060970400000000, 0.0130082700000000, -0.0082000500000000 ] - [ 0.0010568300000000, -0.0005045800000000, -0.0016296300000000 ] - [ 0.0003335300000000, 0.0001848600000000, -0.0006265900000000 ] - [ 0.0003703900000000, -0.0001006100000000, -0.0007034800000000 ] - [ -0.0011261400000000, 0.0003468700000000, 0.0015879300000000 ] - [ -0.0005609000000000, 0.0001883900000000, 0.0009027500000000 ] - [ -0.0011399300000000, 0.0004575300000000, 0.0013212500000000 ] - [ -0.0006230500000000, 0.0002587700000000, 0.0007699500000000 ] - [ 0.0039517800000000, 0.0021496800000000, -0.0044885000000000 ] - [ 0.0006239900000000, 0.0002741100000000, -0.0010366700000000 ] - [ 0.0041414600000000, -0.0003601600000000, -0.0056200200000000 ] - [ 0.0007763200000000, 0.0003104400000000, -0.0012615300000000 ] - [ -0.0010359700000000, -0.0003805800000000, 0.0012945300000000 ] - [ -0.0005095300000000, -0.0001824400000000, 0.0007062200000000 ] - [ -0.0012544500000000, -0.0004313100000000, 0.0016460800000000 ] - [ -0.0006680500000000, -0.0002598700000000, 0.0009578800000000 ] - [ 0.0013177200000000, -0.0017164200000000, 0.0034230300000000 ] - [ 0.0004577100000000, -0.0006812600000000, 0.0015296600000000 ] - [ 0.0015049100000000, 0.0019240600000000, 0.0036710700000000 ] - [ 0.0008587100000000, 0.0006620300000000, 0.0016366200000000 ] - [ 0.0133156400000000, 0.0340949500000000, 0.0175753600000000 ] - [ 0.0005004400000000, 0.0004500500000000, -0.0017547900000000 ] - [ 0.0000838000000000, 0.0013203200000000, -0.0010326700000000 ] - [ 0.0005870000000000, -0.0000997200000000, -0.0011624900000000 ] - [ 0.0078240500000000, -0.0690547700000000, -0.1327948200000000 ] - [ -0.0023015600000000, -0.0011031500000000, -0.0041471000000000 ] - [ -0.0007073100000000, 0.0035763800000000, -0.0037850600000000 ] - [ -0.0016813700000000, 0.0008701000000000, -0.0017618800000000 ] - [ -0.0008792000000000, -0.0008771100000000, 0.0037736100000000 ] - [ 0.0001231000000000, -0.0004268700000000, 0.0020788900000000 ] - [ -0.0006112700000000, 0.0008981300000000, 0.0024415200000000 ] - [ -0.0004610700000000, 0.0004244200000000, 0.0011985300000000 ] - [ -0.0652866400000000, 0.1284956300000000, 0.2137987100000000 ] - [ 0.0003942700000000, 0.0008487400000000, 0.0023174700000000 ] - [ -0.0000534000000000, -0.0017424500000000, 0.0006652300000000 ] - [ 0.0001341000000000, -0.0007289000000000, 0.0007974000000000 ] - [ 0.0006713200000000, -0.0010205300000000, -0.0018874200000000 ] - [ 0.0002909300000000, -0.0008957100000000, -0.0012076100000000 ] - [ 0.0006618200000000, -0.0014997200000000, -0.0014904500000000 ] - [ 0.0004036800000000, -0.0011201000000000, -0.0008834700000000 ] - [ 0.0001274500000000, 0.0006574900000000, -0.0015858600000000 ] - [ 0.0002267900000000, 0.0007459900000000, -0.0008845500000000 ] - [ 0.0000018900000000, -0.0007077100000000, -0.0017691300000000 ] - [ -0.0000486300000000, -0.0000311000000000, -0.0009545300000000 ] - [ 0.0521388600000000, -0.0376761600000000, -0.0611120300000000 ] - [ -0.0009339500000000, 0.0009452500000000, 0.0014452100000000 ] - [ -0.0002488300000000, 0.0003169200000000, 0.0005338200000000 ] - [ -0.0003208800000000, 0.0007905600000000, 0.0008977600000000 ] - [ 0.0001046600000000, 0.0008560300000000, -0.0015886300000000 ] - [ 0.0005758600000000, 0.0002601700000000, -0.0009079500000000 ] - [ 0.0001935100000000, -0.0009247700000000, -0.0016563400000000 ] - [ 0.0004682200000000, -0.0002693600000000, -0.0009098200000000 ] - [ 0.0029683500000000, -0.0073328400000000, -0.0105330600000000 ] - [ -0.0004808200000000, -0.0001832800000000, 0.0000774000000000 ] - [ -0.0001708900000000, -0.0002931000000000, 0.0002317200000000 ] - [ -0.0003210300000000, 0.0001826600000000, 0.0000663700000000 ] - [ -0.0051211200000000, 0.0049283800000000, 0.0184167800000000 ] - [ 0.0002135100000000, 0.0001345500000000, 0.0017227900000000 ] - [ -0.0016746500000000, -0.0022510700000000, 0.0041367600000000 ] - [ 0.0002388000000000, -0.0000812300000000, 0.0012404900000000 ] - [ 0.0006782600000000, 0.0016897800000000, -0.0020886400000000 ] - [ 0.0002546300000000, 0.0012880300000000, -0.0013279100000000 ] - [ 0.0006753100000000, 0.0008339800000000, -0.0013117800000000 ] - [ 0.0004447400000000, 0.0007201400000000, -0.0007452700000000 ] - [ -0.0000146600000000, 0.0005592700000000, -0.0017003900000000 ] - [ -0.0000406800000000, -0.0000930100000000, -0.0009356900000000 ] - [ 0.0001739800000000, -0.0005809400000000, -0.0016643700000000 ] - [ 0.0001978800000000, -0.0006080700000000, -0.0008906100000000 ] - [ -0.0019830800000000, -0.0089363800000000, 0.0035498600000000 ] - [ -0.0004056200000000, -0.0012335000000000, 0.0012689100000000 ] - [ -0.0023464300000000, -0.0013910800000000, 0.0035014000000000 ] - [ -0.0006578300000000, -0.0007021700000000, 0.0012217000000000 ] - [ -0.0162227700000000, -0.0165485600000000, 0.0006368400000000 ] - [ 0.0005780000000000, 0.0002126100000000, 0.0011805900000000 ] - [ -0.0006065500000000, -0.0007384900000000, 0.0008812500000000 ] - [ -0.0002809900000000, -0.0001031000000000, 0.0004078800000000 ] - [ -0.0012838400000000, 0.0003457100000000, -0.0011375500000000 ] - [ -0.0017411300000000, 0.0001303400000000, -0.0010841900000000 ] - [ -0.0012650700000000, -0.0003711700000000, -0.0008116100000000 ] - [ -0.0013153200000000, -0.0001551100000000, -0.0004866800000000 ] - [ 0.0065099000000000, -0.0376734600000000, -0.0320680900000000 ] - [ -0.0005553600000000, 0.0003216900000000, 0.0013717200000000 ] - [ -0.0009240700000000, -0.0006366200000000, 0.0018250800000000 ] - [ -0.0001226200000000, -0.0002743200000000, 0.0008291400000000 ] - [ 0.0006703800000000, 0.0004526500000000, -0.0015312200000000 ] - [ 0.0002058900000000, 0.0001419900000000, -0.0005420500000000 ] - [ 0.0003045400000000, -0.0004376700000000, -0.0008222900000000 ] - [ 0.0001853500000000, -0.0001487800000000, -0.0002445300000000 ] - [ 0.0005682000000000, 0.0007715600000000, -0.0009192100000000 ] - [ 0.0009932800000000, 0.0002586800000000, -0.0000710700000000 ] - [ 0.0005685400000000, -0.0009535400000000, -0.0010651200000000 ] - [ 0.0007548300000000, -0.0002539300000000, -0.0003522600000000 ] - [ -0.0032892500000000, -0.0039446300000000, -0.0037493700000000 ] - [ 0.0016489800000000, -0.0001380600000000, 0.0003596100000000 ] - [ 0.0014273800000000, -0.0000064000000000, 0.0003441300000000 ] - [ 0.0013280800000000, 0.0000784600000000, 0.0002669900000000 ]- atom: 65 displacement: [ 0.0099995491105751, 0.0000000000000000, -0.0000949609666999 ] forces: - [ 0.0022835100000000, 0.0019641000000000, 0.0044322200000000 ] - [ 0.0036425300000000, -0.0022065400000000, 0.0038978500000000 ] - [ 0.0022835100000000, -0.0019641000000000, 0.0044322200000000 ] - [ 0.0036425300000000, 0.0022065400000000, 0.0038978500000000 ] - [ 0.0035389100000000, 0.0000248900000000, 0.0050910900000000 ] - [ 0.0036319000000000, -0.0000431400000000, 0.0052653200000000 ] - [ 0.0035389100000000, -0.0000248900000000, 0.0050910900000000 ] - [ 0.0036319000000000, 0.0000431400000000, 0.0052653200000000 ] - [ -0.0036140900000000, 0.0000000000000000, -0.0046406100000000 ] - [ -0.0042576100000000, 0.0000000000000000, -0.0072405600000000 ] - [ -0.0036586400000000, 0.0000000000000000, -0.0046241100000000 ] - [ -0.0035491000000000, 0.0000000000000000, -0.0050923300000000 ] - [ -0.0026912000000000, 0.0000000000000000, -0.0044249300000000 ] - [ -0.0043700300000000, 0.0000000000000000, -0.0042330000000000 ] - [ -0.0032894400000000, 0.0000000000000000, -0.0048689200000000 ] - [ -0.0039317200000000, 0.0000000000000000, -0.0047055200000000 ] - [ 0.0000781000000000, -0.0000647300000000, 0.0003099900000000 ] - [ -0.0005663500000000, 0.0002298600000000, 0.0004941500000000 ] - [ -0.0001390000000000, 0.0001203200000000, 0.0003073400000000 ] - [ -0.0002897600000000, 0.0000886200000000, 0.0002737500000000 ] - [ -0.0046925100000000, 0.0018360400000000, 0.0029562600000000 ] - [ -0.0001634900000000, -0.0000611300000000, -0.0003016700000000 ] - [ 0.0007100600000000, -0.0004454200000000, -0.0006430700000000 ] - [ -0.0002053600000000, 0.0000992800000000, -0.0000578600000000 ] - [ 0.0000781000000000, 0.0000647300000000, 0.0003099900000000 ] - [ -0.0005663500000000, -0.0002298600000000, 0.0004941500000000 ] - [ -0.0001390000000000, -0.0001203200000000, 0.0003073400000000 ] - [ -0.0002897600000000, -0.0000886200000000, 0.0002737500000000 ] - [ -0.0046925100000000, -0.0018360400000000, 0.0029562600000000 ] - [ -0.0001634900000000, 0.0000611300000000, -0.0003016700000000 ] - [ 0.0007100600000000, 0.0004454200000000, -0.0006430700000000 ] - [ -0.0002053600000000, -0.0000992800000000, -0.0000578600000000 ] - [ 0.2717219400000000, 0.0000000000000000, -0.1908977500000000 ] - [ -0.0073925200000000, 0.0000000000000000, -0.0008059200000000 ] - [ 0.0023692300000000, 0.0000000000000000, -0.0011985100000000 ] - [ -0.0013798300000000, 0.0000000000000000, -0.0002495900000000 ] - [ 0.0010162900000000, 0.0000000000000000, 0.0020543900000000 ] - [ 0.0006686700000000, 0.0000000000000000, 0.0004925400000000 ] - [ 0.0008042800000000, 0.0000000000000000, 0.0011085300000000 ] - [ 0.0007560800000000, 0.0000000000000000, 0.0005671200000000 ] - [ 0.0032529300000000, -0.0007321000000000, -0.0000799300000000 ] - [ -0.0027095200000000, -0.0005887400000000, 0.0001643800000000 ] - [ 0.0032529300000000, 0.0007321000000000, -0.0000799300000000 ] - [ -0.0027095200000000, 0.0005887400000000, 0.0001643800000000 ] - [ -0.0003178900000000, 0.0034394200000000, 0.0024238100000000 ] - [ -0.0010016600000000, -0.0000970500000000, -0.0011940700000000 ] - [ -0.0003178900000000, -0.0034394200000000, 0.0024238100000000 ] - [ -0.0010016600000000, 0.0000970500000000, -0.0011940700000000 ] - [ -0.0005381200000000, -0.0005350900000000, -0.0001767500000000 ] - [ 0.0011115500000000, -0.0002475100000000, -0.0003457300000000 ] - [ -0.0004206300000000, -0.0009394200000000, -0.0002450600000000 ] - [ 0.0006368600000000, -0.0008501900000000, -0.0003261300000000 ] - [ 0.0017263700000000, -0.0029452600000000, -0.0027767900000000 ] - [ 0.0003356200000000, -0.0004274700000000, 0.0005995700000000 ] - [ -0.0000759900000000, 0.0004166800000000, 0.0002058000000000 ] - [ 0.0004230700000000, -0.0005673900000000, 0.0004513800000000 ] - [ -0.0055824600000000, -0.0011563200000000, -0.0083785700000000 ] - [ 0.0015225700000000, 0.0013040800000000, 0.0008276200000000 ] - [ -0.0010026500000000, 0.0009021500000000, 0.0007309200000000 ] - [ 0.0003687900000000, 0.0007687100000000, 0.0001617600000000 ] - [ -0.0004349100000000, 0.0004098800000000, -0.0008227000000000 ] - [ 0.0000894100000000, 0.0003882500000000, -0.0002434600000000 ] - [ -0.0002043700000000, 0.0004278300000000, -0.0003995100000000 ] - [ -0.0000886500000000, 0.0004903900000000, -0.0002516800000000 ] - [ -0.2873961900000000, 0.0000000000000000, 0.2345797400000000 ] - [ 0.0040461600000000, 0.0000000000000000, -0.0010389900000000 ] - [ -0.0009357100000000, 0.0000000000000000, 0.0003873600000000 ] - [ 0.0008230300000000, 0.0000000000000000, -0.0004298900000000 ] - [ 0.0002866100000000, 0.0000000000000000, -0.0010409300000000 ] - [ 0.0002070200000000, 0.0000000000000000, -0.0005897000000000 ] - [ 0.0001727700000000, 0.0000000000000000, -0.0007203800000000 ] - [ 0.0001657900000000, 0.0000000000000000, -0.0005301900000000 ] - [ -0.0004206300000000, 0.0009394200000000, -0.0002450600000000 ] - [ 0.0006368600000000, 0.0008501900000000, -0.0003261300000000 ] - [ -0.0005381200000000, 0.0005350900000000, -0.0001767500000000 ] - [ 0.0011115500000000, 0.0002475100000000, -0.0003457300000000 ] - [ -0.0000759900000000, -0.0004166800000000, 0.0002058000000000 ] - [ 0.0004230700000000, 0.0005673900000000, 0.0004513800000000 ] - [ 0.0017263700000000, 0.0029452600000000, -0.0027767900000000 ] - [ 0.0003356200000000, 0.0004274700000000, 0.0005995700000000 ] - [ -0.0055824600000000, 0.0011563200000000, -0.0083785700000000 ] - [ 0.0015225700000000, -0.0013040800000000, 0.0008276200000000 ] - [ -0.0010026500000000, -0.0009021500000000, 0.0007309200000000 ] - [ 0.0003687900000000, -0.0007687100000000, 0.0001617600000000 ] - [ -0.0004349100000000, -0.0004098800000000, -0.0008227000000000 ] - [ 0.0000894100000000, -0.0003882500000000, -0.0002434600000000 ] - [ -0.0002043700000000, -0.0004278300000000, -0.0003995100000000 ] - [ -0.0000886500000000, -0.0004903900000000, -0.0002516800000000 ] - [ -0.0027124400000000, 0.0009089700000000, -0.0009467600000000 ] - [ -0.0000014200000000, -0.0000383100000000, 0.0003114000000000 ] - [ -0.0027124400000000, -0.0009089700000000, -0.0009467600000000 ] - [ -0.0000014200000000, 0.0000383100000000, 0.0003114000000000 ] - [ -0.0016229300000000, -0.0006089000000000, -0.0007755800000000 ] - [ -0.0006303500000000, -0.0000073800000000, 0.0001638100000000 ] - [ -0.0016229300000000, 0.0006089000000000, -0.0007755800000000 ] - [ -0.0006303500000000, 0.0000073800000000, 0.0001638100000000 ] - [ -0.0014301200000000, -0.0002474000000000, 0.0012073500000000 ] - [ 0.0008937100000000, 0.0003482000000000, -0.0001505700000000 ] - [ -0.0014301200000000, 0.0002474000000000, 0.0012073500000000 ] - [ 0.0008937100000000, -0.0003482000000000, -0.0001505700000000 ] - [ 0.0003408000000000, -0.0005885700000000, -0.0006295000000000 ] - [ -0.0002219400000000, -0.0000237300000000, 0.0005552500000000 ] - [ 0.0003408000000000, 0.0005885700000000, -0.0006295000000000 ] - [ -0.0002219400000000, 0.0000237300000000, 0.0005552500000000 ] - [ 0.0310603900000000, 0.0000000000000000, -0.0269607700000000 ] - [ 0.0071294600000000, 0.0000000000000000, 0.0013745800000000 ] - [ 0.0003384700000000, 0.0000000000000000, 0.0002347700000000 ] - [ 0.0022640500000000, 0.0000000000000000, 0.0003025200000000 ] - [ 0.0006485600000000, 0.0000000000000000, -0.0004637800000000 ] - [ 0.0010553700000000, 0.0000000000000000, -0.0001938100000000 ] - [ 0.0008809600000000, 0.0000000000000000, -0.0002379900000000 ] - [ 0.0009826400000000, 0.0000000000000000, -0.0000846400000000 ]- atom: 65 displacement: [ -0.0099995491105751, 0.0000000000000000, 0.0000949609666999 ] forces: - [ 0.0049026600000000, -0.0019795300000000, 0.0052577200000000 ] - [ 0.0035742600000000, 0.0022214800000000, 0.0057942100000000 ] - [ 0.0049026600000000, 0.0019795300000000, 0.0052577200000000 ] - [ 0.0035742600000000, -0.0022214800000000, 0.0057942100000000 ] - [ 0.0036496600000000, -0.0000252700000000, 0.0046029400000000 ] - [ 0.0035609800000000, 0.0000427300000000, 0.0044306500000000 ] - [ 0.0036496600000000, 0.0000252700000000, 0.0046029400000000 ] - [ 0.0035609800000000, -0.0000427300000000, 0.0044306500000000 ] - [ -0.0035469600000000, 0.0000000000000000, -0.0051013900000000 ] - [ -0.0029456300000000, 0.0000000000000000, -0.0024387100000000 ] - [ -0.0035306500000000, 0.0000000000000000, -0.0050656500000000 ] - [ -0.0036453100000000, 0.0000000000000000, -0.0045985700000000 ] - [ -0.0044899900000000, 0.0000000000000000, -0.0052602500000000 ] - [ -0.0028276200000000, 0.0000000000000000, -0.0054627000000000 ] - [ -0.0038982500000000, 0.0000000000000000, -0.0048229300000000 ] - [ -0.0032639800000000, 0.0000000000000000, -0.0049871700000000 ] - [ -0.0000766200000000, 0.0000639100000000, -0.0003093600000000 ] - [ 0.0005618700000000, -0.0002283300000000, -0.0004886900000000 ] - [ 0.0001388900000000, -0.0001201400000000, -0.0003063900000000 ] - [ 0.0002862400000000, -0.0000874100000000, -0.0002697100000000 ] - [ 0.0045912100000000, -0.0018119200000000, -0.0028605700000000 ] - [ 0.0001715100000000, 0.0000570400000000, 0.0002903200000000 ] - [ -0.0007052000000000, 0.0004413800000000, 0.0006369500000000 ] - [ 0.0002074200000000, -0.0001000600000000, 0.0000538600000000 ] - [ -0.0000766200000000, -0.0000639100000000, -0.0003093600000000 ] - [ 0.0005618700000000, 0.0002283300000000, -0.0004886900000000 ] - [ 0.0001388900000000, 0.0001201400000000, -0.0003063900000000 ] - [ 0.0002862400000000, 0.0000874100000000, -0.0002697100000000 ] - [ 0.0045912100000000, 0.0018119200000000, -0.0028605700000000 ] - [ 0.0001715100000000, -0.0000570400000000, 0.0002903200000000 ] - [ -0.0007052000000000, -0.0004413800000000, 0.0006369500000000 ] - [ 0.0002074200000000, 0.0001000600000000, 0.0000538600000000 ] - [ -0.2789938600000000, 0.0000000000000000, 0.2036020300000000 ] - [ 0.0088731600000000, 0.0000000000000000, 0.0012318400000000 ] - [ -0.0008952100000000, 0.0000000000000000, 0.0016339000000000 ] - [ 0.0028518500000000, 0.0000000000000000, 0.0006962400000000 ] - [ 0.0004587500000000, 0.0000000000000000, -0.0015903800000000 ] - [ 0.0008096800000000, 0.0000000000000000, -0.0000339800000000 ] - [ 0.0006724600000000, 0.0000000000000000, -0.0006520100000000 ] - [ 0.0007205200000000, 0.0000000000000000, -0.0001121300000000 ] - [ -0.0047105100000000, 0.0007386400000000, -0.0003834600000000 ] - [ 0.0012293900000000, 0.0005829900000000, -0.0006083500000000 ] - [ -0.0047105100000000, -0.0007386400000000, -0.0003834600000000 ] - [ 0.0012293900000000, -0.0005829900000000, -0.0006083500000000 ] - [ -0.0011439500000000, -0.0033856100000000, -0.0028469200000000 ] - [ -0.0004751400000000, 0.0000942000000000, 0.0007324800000000 ] - [ -0.0011439500000000, 0.0033856100000000, -0.0028469200000000 ] - [ -0.0004751400000000, -0.0000942000000000, 0.0007324800000000 ] - [ 0.0009880400000000, -0.0006554800000000, 0.0001990300000000 ] - [ -0.0006552500000000, -0.0009403500000000, 0.0003620100000000 ] - [ 0.0008700900000000, -0.0002485000000000, 0.0002667200000000 ] - [ -0.0001834200000000, -0.0003430600000000, 0.0003422100000000 ] - [ -0.0012207100000000, 0.0017125700000000, 0.0027274800000000 ] - [ 0.0001119700000000, -0.0007575400000000, -0.0005685800000000 ] - [ 0.0005270800000000, -0.0015926000000000, -0.0001783900000000 ] - [ 0.0000288300000000, -0.0006198000000000, -0.0004247900000000 ] - [ 0.0054099500000000, 0.0022422100000000, 0.0081624400000000 ] - [ -0.0019759600000000, -0.0001059400000000, -0.0008324100000000 ] - [ 0.0005465900000000, 0.0002922600000000, -0.0007435600000000 ] - [ -0.0008222500000000, 0.0004209500000000, -0.0001784200000000 ] - [ -0.0000189500000000, 0.0007791700000000, 0.0007978400000000 ] - [ -0.0005412100000000, 0.0007991300000000, 0.0002181900000000 ] - [ -0.0002489800000000, 0.0007609800000000, 0.0003772900000000 ] - [ -0.0003633900000000, 0.0006969800000000, 0.0002280800000000 ] - [ 0.2969400000000000, 0.0000000000000000, -0.2478956900000000 ] - [ -0.0039063900000000, 0.0000000000000000, 0.0003318600000000 ] - [ 0.0010694700000000, 0.0000000000000000, -0.0010890600000000 ] - [ -0.0006847600000000, 0.0000000000000000, -0.0002765000000000 ] - [ -0.0001469400000000, 0.0000000000000000, 0.0003290500000000 ] - [ -0.0000666100000000, 0.0000000000000000, -0.0001213700000000 ] - [ -0.0000314800000000, 0.0000000000000000, 0.0000081900000000 ] - [ -0.0000252800000000, 0.0000000000000000, -0.0001800200000000 ] - [ 0.0008700900000000, 0.0002485000000000, 0.0002667200000000 ] - [ -0.0001834200000000, 0.0003430600000000, 0.0003422100000000 ] - [ 0.0009880400000000, 0.0006554800000000, 0.0001990300000000 ] - [ -0.0006552500000000, 0.0009403500000000, 0.0003620100000000 ] - [ 0.0005270800000000, 0.0015926000000000, -0.0001783900000000 ] - [ 0.0000288300000000, 0.0006198000000000, -0.0004247900000000 ] - [ -0.0012207100000000, -0.0017125700000000, 0.0027274800000000 ] - [ 0.0001119700000000, 0.0007575400000000, -0.0005685800000000 ] - [ 0.0054099500000000, -0.0022422100000000, 0.0081624400000000 ] - [ -0.0019759600000000, 0.0001059400000000, -0.0008324100000000 ] - [ 0.0005465900000000, -0.0002922600000000, -0.0007435600000000 ] - [ -0.0008222500000000, -0.0004209500000000, -0.0001784200000000 ] - [ -0.0000189500000000, -0.0007791700000000, 0.0007978400000000 ] - [ -0.0005412100000000, -0.0007991300000000, 0.0002181900000000 ] - [ -0.0002489800000000, -0.0007609800000000, 0.0003772900000000 ] - [ -0.0003633900000000, -0.0006969800000000, 0.0002280800000000 ] - [ 0.0006783100000000, -0.0009068500000000, 0.0008867700000000 ] - [ -0.0020241300000000, 0.0000396000000000, -0.0003729300000000 ] - [ 0.0006783100000000, 0.0009068500000000, 0.0008867700000000 ] - [ -0.0020241300000000, -0.0000396000000000, -0.0003729300000000 ] - [ -0.0004082200000000, 0.0006025100000000, 0.0007106700000000 ] - [ -0.0013938200000000, 0.0000077300000000, -0.0002206300000000 ] - [ -0.0004082200000000, -0.0006025100000000, 0.0007106700000000 ] - [ -0.0013938200000000, -0.0000077300000000, -0.0002206300000000 ] - [ 0.0012891600000000, 0.0002413600000000, -0.0004903100000000 ] - [ -0.0010295200000000, -0.0003458100000000, 0.0008548900000000 ] - [ 0.0012891600000000, -0.0002413600000000, -0.0004903100000000 ] - [ -0.0010295200000000, 0.0003458100000000, 0.0008548900000000 ] - [ -0.0004754700000000, 0.0005764000000000, 0.0013226100000000 ] - [ 0.0000794700000000, 0.0000236300000000, 0.0001569300000000 ] - [ -0.0004754700000000, -0.0005764000000000, 0.0013226100000000 ] - [ 0.0000794700000000, -0.0000236300000000, 0.0001569300000000 ] - [ -0.0302807500000000, 0.0000000000000000, 0.0277048600000000 ] - [ -0.0050662500000000, 0.0000000000000000, -0.0013051900000000 ] - [ 0.0016916200000000, 0.0000000000000000, -0.0001711300000000 ] - [ -0.0002333100000000, 0.0000000000000000, -0.0002413300000000 ] - [ 0.0013761100000000, 0.0000000000000000, 0.0005209000000000 ] - [ 0.0009678100000000, 0.0000000000000000, 0.0002501600000000 ] - [ 0.0011443800000000, 0.0000000000000000, 0.0002963600000000 ] - [ 0.0010416400000000, 0.0000000000000000, 0.0001431400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0042361500000000, -0.0001629800000000, 0.0050017000000000 ] - [ 0.0020902600000000, -0.0009671500000000, 0.0051771000000000 ] - [ 0.0029494900000000, -0.0001764100000000, 0.0046849900000000 ] - [ 0.0051229000000000, -0.0010071200000000, 0.0045234000000000 ] - [ 0.0037325000000000, 0.0000011200000000, 0.0048091300000000 ] - [ 0.0035101700000000, 0.0000031900000000, 0.0047263900000000 ] - [ 0.0034581600000000, 0.0000010000000000, 0.0048860300000000 ] - [ 0.0036813400000000, 0.0000034500000000, 0.0049688800000000 ] - [ -0.0036073700000000, 0.0008461400000000, -0.0048355800000000 ] - [ -0.0035943900000000, 0.0006283000000000, -0.0048528200000000 ] - [ -0.0035962600000000, -0.0006159200000000, -0.0048448500000000 ] - [ -0.0035949200000000, -0.0004417900000000, -0.0048467700000000 ] - [ -0.0035937800000000, 0.0010980600000000, -0.0048437400000000 ] - [ -0.0035984400000000, 0.0006732700000000, -0.0048431500000000 ] - [ -0.0035944500000000, -0.0005501900000000, -0.0048462700000000 ] - [ -0.0035969800000000, -0.0004806400000000, -0.0048455400000000 ] - [ -0.0005072200000000, 0.0002543300000000, 0.0005567800000000 ] - [ -0.0001480300000000, 0.0000663700000000, 0.0001350600000000 ] - [ 0.0004731800000000, -0.0002330600000000, -0.0005073500000000 ] - [ 0.0001496500000000, -0.0000688300000000, -0.0001389500000000 ] - [ 0.0110489100000000, -0.0031202400000000, -0.0073140500000000 ] - [ -0.0003203400000000, 0.0001889200000000, 0.0001495800000000 ] - [ 0.0003972700000000, -0.0004246100000000, -0.0003603100000000 ] - [ 0.0002947300000000, -0.0001825200000000, -0.0001108300000000 ] - [ 0.0005039900000000, 0.0002534800000000, -0.0005512000000000 ] - [ 0.0001445200000000, 0.0000649800000000, -0.0001316200000000 ] - [ -0.0004762800000000, -0.0002344000000000, 0.0005116200000000 ] - [ -0.0001515400000000, -0.0000694100000000, 0.0001411500000000 ] - [ -0.0110763200000000, -0.0031174900000000, 0.0073746900000000 ] - [ 0.0003171800000000, 0.0001875000000000, -0.0001486300000000 ] - [ -0.0003898100000000, -0.0004204200000000, 0.0003529100000000 ] - [ -0.0002950700000000, -0.0001825200000000, 0.0001084200000000 ] - [ 0.0016636500000000, 0.0783498800000000, -0.0007159500000000 ] - [ 0.0007224000000000, 0.0011350900000000, 0.0002261500000000 ] - [ 0.0007435500000000, -0.0033960200000000, 0.0002182600000000 ] - [ 0.0007292400000000, -0.0012030700000000, 0.0002218100000000 ] - [ 0.0007386600000000, 0.0010277600000000, 0.0002329900000000 ] - [ 0.0007378800000000, 0.0004539400000000, 0.0002269600000000 ] - [ 0.0007387000000000, -0.0010142200000000, 0.0002291400000000 ] - [ 0.0007380800000000, -0.0004576900000000, 0.0002262300000000 ] - [ 0.0000846200000000, -0.0006884500000000, 0.0026485500000000 ] - [ -0.0010040100000000, 0.0000220200000000, 0.0004582600000000 ] - [ -0.0015471100000000, -0.0006795600000000, -0.0030842100000000 ] - [ -0.0004814500000000, 0.0000233300000000, -0.0009058900000000 ] - [ -0.0017575600000000, -0.0045375000000000, -0.0029682900000000 ] - [ -0.0009205400000000, -0.0000898600000000, -0.0007112700000000 ] - [ 0.0002902700000000, -0.0045766600000000, 0.0025421800000000 ] - [ -0.0005576200000000, -0.0000951000000000, 0.0002564500000000 ] - [ 0.0002411300000000, -0.0010755100000000, -0.0008600500000000 ] - [ 0.0002967200000000, -0.0008077300000000, -0.0002434100000000 ] - [ 0.0002445000000000, 0.0001416600000000, 0.0009514500000000 ] - [ 0.0001377800000000, -0.0004025800000000, 0.0002669700000000 ] - [ -0.0050556700000000, 0.0032962200000000, 0.0064484700000000 ] - [ 0.0005185800000000, -0.0006551900000000, 0.0002518800000000 ] - [ 0.0000806900000000, 0.0005916700000000, 0.0002798500000000 ] - [ -0.0000036600000000, -0.0004641000000000, -0.0002154000000000 ] - [ -0.0221581100000000, 0.0040785300000000, 0.0349073200000000 ] - [ -0.0001909300000000, -0.0000117600000000, -0.0003307300000000 ] - [ -0.0001863400000000, 0.0023094900000000, 0.0006474100000000 ] - [ -0.0002792800000000, 0.0011861300000000, 0.0002596800000000 ] - [ -0.0000084800000000, 0.0001073100000000, -0.0004329000000000 ] - [ -0.0001881000000000, 0.0003827000000000, -0.0001487900000000 ] - [ -0.0004303300000000, 0.0010685100000000, 0.0003935800000000 ] - [ -0.0002651600000000, 0.0008089500000000, 0.0001326100000000 ] - [ -0.0007751400000000, -0.0681913900000000, 0.0001920200000000 ] - [ 0.0000777100000000, -0.0002210300000000, -0.0003546800000000 ] - [ 0.0000657900000000, 0.0009762000000000, -0.0003499900000000 ] - [ 0.0000720700000000, 0.0002560900000000, -0.0003534400000000 ] - [ 0.0000700900000000, -0.0002987900000000, -0.0003561000000000 ] - [ 0.0000706100000000, -0.0001313400000000, -0.0003553200000000 ] - [ 0.0000715300000000, 0.0002921000000000, -0.0003568400000000 ] - [ 0.0000705300000000, 0.0001353300000000, -0.0003549200000000 ] - [ 0.0002069800000000, 0.0013347800000000, -0.0009368900000000 ] - [ 0.0003169400000000, 0.0007876100000000, -0.0002490300000000 ] - [ 0.0002093200000000, 0.0001139300000000, 0.0008740300000000 ] - [ 0.0001602100000000, 0.0003809000000000, 0.0002605900000000 ] - [ 0.0003692000000000, 0.0017695100000000, -0.0002557400000000 ] - [ 0.0004579700000000, 0.0007212500000000, 0.0002410400000000 ] - [ 0.0055123100000000, 0.0045055600000000, -0.0064550200000000 ] - [ -0.0000645400000000, 0.0005362000000000, -0.0002307300000000 ] - [ 0.0216158200000000, 0.0028268000000000, -0.0345213100000000 ] - [ -0.0002544200000000, -0.0012002800000000, 0.0003112900000000 ] - [ -0.0002721700000000, 0.0011169700000000, -0.0006598100000000 ] - [ -0.0001694600000000, -0.0000046200000000, -0.0002769000000000 ] - [ -0.0004424800000000, -0.0010801400000000, 0.0004052300000000 ] - [ -0.0002629800000000, -0.0008047200000000, 0.0001261800000000 ] - [ -0.0000211000000000, -0.0001185800000000, -0.0004182500000000 ] - [ -0.0001873400000000, -0.0003784000000000, -0.0001549300000000 ] - [ -0.0014133300000000, 0.0005764200000000, -0.0012455800000000 ] - [ -0.0009537400000000, -0.0000070200000000, -0.0002032700000000 ] - [ -0.0006147100000000, 0.0005702300000000, 0.0011784200000000 ] - [ -0.0010666900000000, -0.0000063600000000, 0.0001454100000000 ] - [ -0.0005498400000000, 0.0005778000000000, 0.0006507600000000 ] - [ -0.0008765200000000, 0.0000182800000000, 0.0000791200000000 ] - [ -0.0014809400000000, 0.0005835200000000, -0.0007162000000000 ] - [ -0.0011451200000000, 0.0000196700000000, -0.0001379900000000 ] - [ -0.0003291300000000, 0.0005483900000000, -0.0007689200000000 ] - [ 0.0002759100000000, 0.0000080200000000, -0.0000685900000000 ] - [ 0.0001810100000000, 0.0005439500000000, 0.0014732200000000 ] - [ -0.0004098100000000, 0.0000073200000000, 0.0007729900000000 ] - [ -0.0006376800000000, 0.0009706000000000, 0.0018569600000000 ] - [ -0.0000924000000000, 0.0000051900000000, 0.0004984500000000 ] - [ 0.0004993700000000, 0.0009779100000000, -0.0011561800000000 ] - [ -0.0000479300000000, 0.0000064900000000, 0.0002099500000000 ] - [ 0.0010309900000000, -0.0160842500000000, -0.0000417800000000 ] - [ 0.0010186900000000, -0.0008133400000000, 0.0000314200000000 ] - [ 0.0010100300000000, 0.0006695700000000, 0.0000310400000000 ] - [ 0.0010182100000000, 0.0008472500000000, 0.0000312300000000 ] - [ 0.0010106300000000, -0.0002500000000000, 0.0000273600000000 ] - [ 0.0010116200000000, -0.0001176200000000, 0.0000286500000000 ] - [ 0.0010114000000000, 0.0002554800000000, 0.0000284500000000 ] - [ 0.0010113000000000, 0.0001259600000000, 0.0000290900000000 ]- atom: 65 displacement: [ -0.0018484943313082, 0.0000000000000000, 0.0098276685285535 ] forces: - [ 0.0044395100000000, -0.0007543000000000, 0.0061461200000000 ] - [ 0.0034010000000000, 0.0015333700000000, 0.0073869100000000 ] - [ 0.0044395100000000, 0.0007543000000000, 0.0061461200000000 ] - [ 0.0034010000000000, -0.0015333700000000, 0.0073869100000000 ] - [ 0.0036702100000000, 0.0000527500000000, 0.0039924100000000 ] - [ 0.0035732900000000, 0.0000560200000000, 0.0038974000000000 ] - [ 0.0036702100000000, -0.0000527500000000, 0.0039924100000000 ] - [ 0.0035732900000000, -0.0000560200000000, 0.0038974000000000 ] - [ -0.0030358100000000, 0.0000000000000000, -0.0044167300000000 ] - [ -0.0053501900000000, 0.0000000000000000, -0.0044449800000000 ] - [ -0.0033897400000000, 0.0000000000000000, -0.0047533400000000 ] - [ -0.0038838600000000, 0.0000000000000000, -0.0045044600000000 ] - [ -0.0049836200000000, 0.0000000000000000, -0.0067617900000000 ] - [ -0.0025106400000000, 0.0000000000000000, -0.0055557400000000 ] - [ -0.0040173100000000, 0.0000000000000000, -0.0050912700000000 ] - [ -0.0030652100000000, 0.0000000000000000, -0.0051376100000000 ] - [ 0.0008852200000000, -0.0002276600000000, -0.0015076100000000 ] - [ 0.0006312100000000, -0.0002444900000000, -0.0007998600000000 ] - [ 0.0008943500000000, -0.0004073800000000, -0.0011159200000000 ] - [ 0.0004503500000000, -0.0001752100000000, -0.0005341600000000 ] - [ 0.0144269300000000, -0.0027296800000000, -0.0124939200000000 ] - [ -0.0004135700000000, 0.0001953100000000, 0.0007238200000000 ] - [ -0.0009908100000000, 0.0007225300000000, 0.0010648700000000 ] - [ -0.0001442500000000, 0.0000488400000000, 0.0003595300000000 ] - [ 0.0008852200000000, 0.0002276600000000, -0.0015076100000000 ] - [ 0.0006312100000000, 0.0002444900000000, -0.0007998600000000 ] - [ 0.0008943500000000, 0.0004073800000000, -0.0011159200000000 ] - [ 0.0004503500000000, 0.0001752100000000, -0.0005341600000000 ] - [ 0.0144269300000000, 0.0027296800000000, -0.0124939200000000 ] - [ -0.0004135700000000, -0.0001953100000000, 0.0007238200000000 ] - [ -0.0009908100000000, -0.0007225300000000, 0.0010648700000000 ] - [ -0.0001442500000000, -0.0000488400000000, 0.0003595300000000 ] - [ -0.2510016200000000, 0.0000000000000000, 0.3207857200000000 ] - [ 0.0046613900000000, 0.0000000000000000, 0.0023921800000000 ] - [ 0.0001441300000000, 0.0000000000000000, 0.0035791900000000 ] - [ 0.0018163500000000, 0.0000000000000000, 0.0013565600000000 ] - [ 0.0005775100000000, 0.0000000000000000, -0.0037022400000000 ] - [ 0.0003363100000000, 0.0000000000000000, -0.0014391500000000 ] - [ 0.0006584400000000, 0.0000000000000000, -0.0020444800000000 ] - [ 0.0005412800000000, 0.0000000000000000, -0.0009288000000000 ] - [ -0.0036802400000000, 0.0034590600000000, -0.0024958000000000 ] - [ 0.0003610700000000, 0.0011044500000000, -0.0005726000000000 ] - [ -0.0036802400000000, -0.0034590600000000, -0.0024958000000000 ] - [ 0.0003610700000000, -0.0011044500000000, -0.0005726000000000 ] - [ -0.0020301500000000, -0.0078352300000000, -0.0054277900000000 ] - [ -0.0007652200000000, -0.0004245400000000, 0.0002110500000000 ] - [ -0.0020301500000000, 0.0078352300000000, -0.0054277900000000 ] - [ -0.0007652200000000, 0.0004245400000000, 0.0002110500000000 ] - [ 0.0004438100000000, -0.0014104600000000, 0.0012905300000000 ] - [ -0.0006423900000000, -0.0012098300000000, 0.0004949300000000 ] - [ 0.0004930500000000, 0.0007973000000000, 0.0013861200000000 ] - [ -0.0000739600000000, -0.0000918700000000, 0.0005869900000000 ] - [ -0.0064838600000000, 0.0052585600000000, 0.0094655600000000 ] - [ 0.0006033900000000, -0.0004893500000000, -0.0004560900000000 ] - [ 0.0005408100000000, -0.0025671600000000, -0.0005548600000000 ] - [ 0.0002595200000000, -0.0008101600000000, -0.0004753100000000 ] - [ -0.0271082700000000, 0.0162766500000000, 0.0294976600000000 ] - [ -0.0010088200000000, -0.0001979900000000, -0.0012703000000000 ] - [ 0.0004645900000000, -0.0002267300000000, -0.0015136200000000 ] - [ -0.0004430400000000, 0.0003323900000000, -0.0005377300000000 ] - [ -0.0004566000000000, 0.0012415200000000, 0.0019690200000000 ] - [ -0.0003930900000000, 0.0010053800000000, 0.0009052000000000 ] - [ -0.0006040600000000, 0.0011209900000000, 0.0011668400000000 ] - [ -0.0003727200000000, 0.0008732200000000, 0.0006099800000000 ] - [ 0.2966710100000000, 0.0000000000000000, -0.3679182400000000 ] - [ -0.0013438700000000, 0.0000000000000000, -0.0008002700000000 ] - [ 0.0009621600000000, 0.0000000000000000, -0.0017799600000000 ] - [ -0.0001527900000000, 0.0000000000000000, -0.0007393300000000 ] - [ -0.0006341300000000, 0.0000000000000000, 0.0013556000000000 ] - [ -0.0001853700000000, 0.0000000000000000, 0.0004055400000000 ] - [ -0.0002997300000000, 0.0000000000000000, 0.0006676600000000 ] - [ -0.0001185400000000, 0.0000000000000000, 0.0001707500000000 ] - [ 0.0004930500000000, -0.0007973000000000, 0.0013861200000000 ] - [ -0.0000739600000000, 0.0000918700000000, 0.0005869900000000 ] - [ 0.0004438100000000, 0.0014104600000000, 0.0012905300000000 ] - [ -0.0006423900000000, 0.0012098300000000, 0.0004949300000000 ] - [ 0.0005408100000000, 0.0025671600000000, -0.0005548600000000 ] - [ 0.0002595200000000, 0.0008101600000000, -0.0004753100000000 ] - [ -0.0064838600000000, -0.0052585600000000, 0.0094655600000000 ] - [ 0.0006033900000000, 0.0004893500000000, -0.0004560900000000 ] - [ -0.0271082700000000, -0.0162766500000000, 0.0294976600000000 ] - [ -0.0010088200000000, 0.0001979900000000, -0.0012703000000000 ] - [ 0.0004645900000000, 0.0002267300000000, -0.0015136200000000 ] - [ -0.0004430400000000, -0.0003323900000000, -0.0005377300000000 ] - [ -0.0004566000000000, -0.0012415200000000, 0.0019690200000000 ] - [ -0.0003930900000000, -0.0010053800000000, 0.0009052000000000 ] - [ -0.0006040600000000, -0.0011209900000000, 0.0011668400000000 ] - [ -0.0003727200000000, -0.0008732200000000, 0.0006099800000000 ] - [ 0.0000564400000000, -0.0017792500000000, 0.0010537200000000 ] - [ -0.0014995200000000, -0.0002146800000000, -0.0003236100000000 ] - [ 0.0000564400000000, 0.0017792500000000, 0.0010537200000000 ] - [ -0.0014995200000000, 0.0002146800000000, -0.0003236100000000 ] - [ -0.0001321500000000, 0.0011569600000000, 0.0013289500000000 ] - [ -0.0011658200000000, 0.0001174100000000, 0.0000231100000000 ] - [ -0.0001321500000000, -0.0011569600000000, 0.0013289500000000 ] - [ -0.0011658200000000, -0.0001174100000000, 0.0000231100000000 ] - [ 0.0010168900000000, -0.0010562300000000, 0.0004045400000000 ] - [ -0.0007317600000000, -0.0004776100000000, 0.0005254600000000 ] - [ 0.0010168900000000, 0.0010562300000000, 0.0004045400000000 ] - [ -0.0007317600000000, 0.0004776100000000, 0.0005254600000000 ] - [ -0.0010787200000000, 0.0015862900000000, 0.0028990200000000 ] - [ 0.0001595600000000, 0.0001444600000000, 0.0003533700000000 ] - [ -0.0010787200000000, -0.0015862900000000, 0.0028990200000000 ] - [ 0.0001595600000000, -0.0001444600000000, 0.0003533700000000 ] - [ -0.0004497500000000, 0.0000000000000000, -0.0062978900000000 ] - [ -0.0016539500000000, 0.0000000000000000, -0.0015553000000000 ] - [ 0.0009310200000000, 0.0000000000000000, -0.0008180800000000 ] - [ 0.0003155200000000, 0.0000000000000000, -0.0004074900000000 ] - [ 0.0014936100000000, 0.0000000000000000, 0.0011094600000000 ] - [ 0.0013810900000000, 0.0000000000000000, 0.0008062100000000 ] - [ 0.0012601600000000, 0.0000000000000000, 0.0007102400000000 ] - [ 0.0012217600000000, 0.0000000000000000, 0.0004302200000000 ]- atom: 65 displacement: [ 0.0018484943313082, 0.0000000000000000, -0.0098276685285535 ] forces: - [ 0.0027499600000000, 0.0007638100000000, 0.0035465500000000 ] - [ 0.0037998600000000, -0.0015156900000000, 0.0022965700000000 ] - [ 0.0027499600000000, -0.0007638100000000, 0.0035465500000000 ] - [ 0.0037998600000000, 0.0015156900000000, 0.0022965700000000 ] - [ 0.0035217100000000, -0.0000539100000000, 0.0056995700000000 ] - [ 0.0036167200000000, -0.0000574400000000, 0.0057937200000000 ] - [ 0.0035217100000000, 0.0000539100000000, 0.0056995700000000 ] - [ 0.0036167200000000, 0.0000574400000000, 0.0057937200000000 ] - [ -0.0040750900000000, 0.0000000000000000, -0.0053512700000000 ] - [ -0.0018381200000000, 0.0000000000000000, -0.0052637000000000 ] - [ -0.0038022000000000, 0.0000000000000000, -0.0049406300000000 ] - [ -0.0033066200000000, 0.0000000000000000, -0.0051890000000000 ] - [ -0.0022152900000000, 0.0000000000000000, -0.0029303200000000 ] - [ -0.0046781200000000, 0.0000000000000000, -0.0041320800000000 ] - [ -0.0031757800000000, 0.0000000000000000, -0.0045990200000000 ] - [ -0.0041243400000000, 0.0000000000000000, -0.0045523800000000 ] - [ -0.0008837400000000, 0.0002264400000000, 0.0015083800000000 ] - [ -0.0006334900000000, 0.0002453300000000, 0.0008012300000000 ] - [ -0.0008921000000000, 0.0004070000000000, 0.0011141200000000 ] - [ -0.0004499200000000, 0.0001749300000000, 0.0005331700000000 ] - [ -0.0143019800000000, 0.0027702900000000, 0.0124047900000000 ] - [ 0.0004091700000000, -0.0001929100000000, -0.0007175000000000 ] - [ 0.0009898200000000, -0.0007202300000000, -0.0010628900000000 ] - [ 0.0001433000000000, -0.0000488100000000, -0.0003578200000000 ] - [ -0.0008837400000000, -0.0002264400000000, 0.0015083800000000 ] - [ -0.0006334900000000, -0.0002453300000000, 0.0008012300000000 ] - [ -0.0008921000000000, -0.0004070000000000, 0.0011141200000000 ] - [ -0.0004499200000000, -0.0001749300000000, 0.0005331700000000 ] - [ -0.0143019800000000, -0.0027702900000000, 0.0124047900000000 ] - [ 0.0004091700000000, 0.0001929100000000, -0.0007175000000000 ] - [ 0.0009898200000000, 0.0007202300000000, -0.0010628900000000 ] - [ 0.0001433000000000, 0.0000488100000000, -0.0003578200000000 ] - [ 0.2354442900000000, 0.0000000000000000, -0.3051707700000000 ] - [ -0.0031877000000000, 0.0000000000000000, -0.0019228100000000 ] - [ 0.0013358500000000, 0.0000000000000000, -0.0031170800000000 ] - [ -0.0003389700000000, 0.0000000000000000, -0.0009020800000000 ] - [ 0.0009034900000000, 0.0000000000000000, 0.0041635300000000 ] - [ 0.0011366800000000, 0.0000000000000000, 0.0018913700000000 ] - [ 0.0008207700000000, 0.0000000000000000, 0.0024958300000000 ] - [ 0.0009336900000000, 0.0000000000000000, 0.0013791600000000 ] - [ 0.0022242100000000, -0.0034745300000000, 0.0020310000000000 ] - [ -0.0018464500000000, -0.0011049300000000, 0.0001129600000000 ] - [ 0.0022242100000000, 0.0034745300000000, 0.0020310000000000 ] - [ -0.0018464500000000, 0.0011049300000000, 0.0001129600000000 ] - [ 0.0005575000000000, 0.0078231100000000, 0.0049662500000000 ] - [ -0.0007129300000000, 0.0004310900000000, -0.0006558800000000 ] - [ 0.0005575000000000, -0.0078231100000000, 0.0049662500000000 ] - [ -0.0007129300000000, -0.0004310900000000, -0.0006558800000000 ] - [ 0.0000000100000000, 0.0002249800000000, -0.0012680000000000 ] - [ 0.0010979000000000, 0.0000189600000000, -0.0004720400000000 ] - [ -0.0000479300000000, -0.0019880300000000, -0.0013599500000000 ] - [ 0.0005257400000000, -0.0010976400000000, -0.0005617900000000 ] - [ 0.0068698500000000, -0.0064401900000000, -0.0093846500000000 ] - [ -0.0001502700000000, -0.0007078200000000, 0.0004702700000000 ] - [ -0.0000898800000000, 0.0013752700000000, 0.0005756400000000 ] - [ 0.0001924600000000, -0.0003783400000000, 0.0004957800000000 ] - [ 0.0260885600000000, -0.0146302600000000, -0.0288704200000000 ] - [ 0.0005624200000000, 0.0013850900000000, 0.0012413500000000 ] - [ -0.0009152500000000, 0.0014172900000000, 0.0014873300000000 ] - [ -0.0000062400000000, 0.0008605900000000, 0.0005138900000000 ] - [ 0.0000043200000000, -0.0000489200000000, -0.0019937000000000 ] - [ -0.0000563100000000, 0.0001833700000000, -0.0009273000000000 ] - [ 0.0001513200000000, 0.0000717400000000, -0.0011870600000000 ] - [ -0.0000787600000000, 0.0003188800000000, -0.0006303600000000 ] - [ -0.2788177800000000, 0.0000000000000000, 0.3511834300000000 ] - [ 0.0014851900000000, 0.0000000000000000, 0.0000950900000000 ] - [ -0.0008274900000000, 0.0000000000000000, 0.0010753800000000 ] - [ 0.0002878700000000, 0.0000000000000000, 0.0000365400000000 ] - [ 0.0007657200000000, 0.0000000000000000, -0.0020580300000000 ] - [ 0.0003182800000000, 0.0000000000000000, -0.0011068500000000 ] - [ 0.0004373600000000, 0.0000000000000000, -0.0013748900000000 ] - [ 0.0002546100000000, 0.0000000000000000, -0.0008755000000000 ] - [ -0.0000479300000000, 0.0019880300000000, -0.0013599500000000 ] - [ 0.0005257400000000, 0.0010976400000000, -0.0005617900000000 ] - [ 0.0000000100000000, -0.0002249800000000, -0.0012680000000000 ] - [ 0.0010979000000000, -0.0000189600000000, -0.0004720400000000 ] - [ -0.0000898800000000, -0.0013752700000000, 0.0005756400000000 ] - [ 0.0001924600000000, 0.0003783400000000, 0.0004957800000000 ] - [ 0.0068698500000000, 0.0064401900000000, -0.0093846500000000 ] - [ -0.0001502700000000, 0.0007078200000000, 0.0004702700000000 ] - [ 0.0260885600000000, 0.0146302600000000, -0.0288704200000000 ] - [ 0.0005624200000000, -0.0013850900000000, 0.0012413500000000 ] - [ -0.0009152500000000, -0.0014172900000000, 0.0014873300000000 ] - [ -0.0000062400000000, -0.0008605900000000, 0.0005138900000000 ] - [ 0.0000043200000000, 0.0000489200000000, -0.0019937000000000 ] - [ -0.0000563100000000, -0.0001833700000000, -0.0009273000000000 ] - [ 0.0001513200000000, -0.0000717400000000, -0.0011870600000000 ] - [ -0.0000787600000000, -0.0003188800000000, -0.0006303600000000 ] - [ -0.0020877200000000, 0.0017886300000000, -0.0011128500000000 ] - [ -0.0005223300000000, 0.0002122800000000, 0.0002688900000000 ] - [ -0.0020877200000000, -0.0017886300000000, -0.0011128500000000 ] - [ -0.0005223300000000, -0.0002122800000000, 0.0002688900000000 ] - [ -0.0018979900000000, -0.0011560400000000, -0.0013860200000000 ] - [ -0.0008618800000000, -0.0001195900000000, -0.0000830000000000 ] - [ -0.0018979900000000, 0.0011560400000000, -0.0013860200000000 ] - [ -0.0008618800000000, 0.0001195900000000, -0.0000830000000000 ] - [ -0.0011602200000000, 0.0010548000000000, 0.0003090500000000 ] - [ 0.0006016800000000, 0.0004779200000000, 0.0001785000000000 ] - [ -0.0011602200000000, -0.0010548000000000, 0.0003090500000000 ] - [ 0.0006016800000000, -0.0004779200000000, 0.0001785000000000 ] - [ 0.0009383300000000, -0.0015833800000000, -0.0021877300000000 ] - [ -0.0002921500000000, -0.0001462900000000, 0.0003477500000000 ] - [ 0.0009383300000000, 0.0015833800000000, -0.0021877300000000 ] - [ -0.0002921500000000, 0.0001462900000000, 0.0003477500000000 ] - [ 0.0027255700000000, 0.0000000000000000, 0.0060801700000000 ] - [ 0.0036751900000000, 0.0000000000000000, 0.0016168200000000 ] - [ 0.0010912500000000, 0.0000000000000000, 0.0008739500000000 ] - [ 0.0017088400000000, 0.0000000000000000, 0.0004657800000000 ] - [ 0.0005300700000000, 0.0000000000000000, -0.0010537700000000 ] - [ 0.0006490900000000, 0.0000000000000000, -0.0007477000000000 ] - [ 0.0007652200000000, 0.0000000000000000, -0.0006523400000000 ] - [ 0.0008038300000000, 0.0000000000000000, -0.0003723800000000 ]- atom: 89 displacement: [ 0.0099995491105751, 0.0000000000000000, -0.0000949609666999 ] forces: - [ 0.0016902100000000, 0.0000000000000000, 0.0068520300000000 ] - [ 0.0040248800000000, 0.0000000000000000, 0.0033290000000000 ] - [ 0.0033691000000000, 0.0000000000000000, 0.0050526500000000 ] - [ 0.0038145500000000, 0.0000000000000000, 0.0044742000000000 ] - [ 0.0027403600000000, 0.0000000000000000, 0.0026602400000000 ] - [ 0.0035171700000000, 0.0000000000000000, 0.0058106400000000 ] - [ 0.0035014800000000, 0.0000000000000000, 0.0046278800000000 ] - [ 0.0036988700000000, 0.0000000000000000, 0.0050322700000000 ] - [ -0.0038153000000000, 0.0022087300000000, -0.0044896700000000 ] - [ -0.0055657700000000, -0.0023952500000000, -0.0042715400000000 ] - [ -0.0038153000000000, -0.0022087300000000, -0.0044896700000000 ] - [ -0.0055657700000000, 0.0023952500000000, -0.0042715400000000 ] - [ -0.0034409500000000, 0.0000917000000000, -0.0050936900000000 ] - [ -0.0037215800000000, -0.0000950100000000, -0.0051394100000000 ] - [ -0.0034409500000000, -0.0000917000000000, -0.0050936900000000 ] - [ -0.0037215800000000, 0.0000950100000000, -0.0051394100000000 ] - [ 0.0108370300000000, -0.0026478600000000, -0.0075764500000000 ] - [ -0.0015944800000000, 0.0005475100000000, 0.0013916000000000 ] - [ 0.0003806800000000, 0.0001018700000000, -0.0000315200000000 ] - [ -0.0008056600000000, 0.0003233000000000, 0.0006933700000000 ] - [ 0.0004998300000000, -0.0001958400000000, -0.0003313300000000 ] - [ -0.0002656000000000, 0.0001340600000000, -0.0001263100000000 ] - [ 0.0002854100000000, -0.0000578600000000, -0.0002073100000000 ] - [ 0.0001052300000000, -0.0000819000000000, -0.0002432400000000 ] - [ 0.0003806800000000, -0.0001018700000000, -0.0000315200000000 ] - [ -0.0008056600000000, -0.0003233000000000, 0.0006933700000000 ] - [ 0.0108370300000000, 0.0026478600000000, -0.0075764500000000 ] - [ -0.0015944800000000, -0.0005475100000000, 0.0013916000000000 ] - [ 0.0002854100000000, 0.0000578600000000, -0.0002073100000000 ] - [ 0.0001052300000000, 0.0000819000000000, -0.0002432400000000 ] - [ 0.0004998300000000, 0.0001958400000000, -0.0003313300000000 ] - [ -0.0002656000000000, -0.0001340600000000, -0.0001263100000000 ] - [ 0.0040028800000000, -0.0001389500000000, 0.0000031100000000 ] - [ -0.0018529800000000, 0.0001815300000000, -0.0002748200000000 ] - [ 0.0040028800000000, 0.0001389500000000, 0.0000031100000000 ] - [ -0.0018529800000000, -0.0001815300000000, -0.0002748200000000 ] - [ 0.0016193900000000, -0.0020683100000000, -0.0003189200000000 ] - [ -0.0000916400000000, -0.0003698300000000, -0.0000003000000000 ] - [ 0.0016193900000000, 0.0020683100000000, -0.0003189200000000 ] - [ -0.0000916400000000, 0.0003698300000000, -0.0000003000000000 ] - [ 0.3999389400000000, 0.0000000000000000, 0.0935135200000000 ] - [ -0.0097452900000000, 0.0000000000000000, 0.0026786000000000 ] - [ 0.0020083600000000, 0.0000000000000000, 0.0015105800000000 ] - [ -0.0033952900000000, 0.0000000000000000, 0.0001925400000000 ] - [ -0.0000242100000000, 0.0000000000000000, -0.0005291100000000 ] - [ -0.0017583600000000, 0.0000000000000000, -0.0018543200000000 ] - [ -0.0005614100000000, 0.0000000000000000, -0.0005773200000000 ] - [ -0.0009969600000000, 0.0000000000000000, -0.0008432700000000 ] - [ 0.0071624400000000, 0.0087933400000000, 0.0168037000000000 ] - [ 0.0025675200000000, -0.0009512100000000, -0.0011564300000000 ] - [ -0.0004498700000000, -0.0011643800000000, -0.0005206100000000 ] - [ 0.0012716700000000, -0.0005192100000000, -0.0005346700000000 ] - [ -0.0001562000000000, -0.0004362200000000, 0.0002041500000000 ] - [ 0.0006865500000000, -0.0004781100000000, 0.0008260700000000 ] - [ 0.0000638600000000, -0.0005136700000000, 0.0002285400000000 ] - [ 0.0002378600000000, -0.0004608600000000, 0.0003160600000000 ] - [ -0.0012578500000000, 0.0004971100000000, 0.0002358900000000 ] - [ 0.0005144100000000, 0.0007276200000000, 0.0001473000000000 ] - [ -0.0008913900000000, 0.0006808900000000, 0.0003036000000000 ] - [ 0.0002137300000000, 0.0008721400000000, 0.0003304100000000 ] - [ -0.0049776700000000, 0.0024066500000000, 0.0034329500000000 ] - [ 0.0009753300000000, 0.0005673100000000, -0.0004291300000000 ] - [ -0.0007045300000000, 0.0001338300000000, -0.0005163400000000 ] - [ 0.0003442800000000, 0.0003070100000000, -0.0002229100000000 ] - [ -0.0016030600000000, -0.0003822300000000, 0.0004013100000000 ] - [ 0.0010736900000000, 0.0000573700000000, -0.0006595900000000 ] - [ -0.0016030600000000, 0.0003822300000000, 0.0004013100000000 ] - [ 0.0010736900000000, -0.0000573700000000, -0.0006595900000000 ] - [ -0.0005222300000000, 0.0004600400000000, 0.0004193400000000 ] - [ 0.0004495900000000, 0.0001339300000000, -0.0004393800000000 ] - [ -0.0005222300000000, -0.0004600400000000, 0.0004193400000000 ] - [ 0.0004495900000000, -0.0001339300000000, -0.0004393800000000 ] - [ 0.0071624400000000, -0.0087933400000000, 0.0168037000000000 ] - [ 0.0025675200000000, 0.0009512100000000, -0.0011564300000000 ] - [ -0.0004498700000000, 0.0011643800000000, -0.0005206100000000 ] - [ 0.0012716700000000, 0.0005192100000000, -0.0005346700000000 ] - [ -0.0001562000000000, 0.0004362200000000, 0.0002041500000000 ] - [ 0.0006865500000000, 0.0004781100000000, 0.0008260700000000 ] - [ 0.0000638600000000, 0.0005136700000000, 0.0002285400000000 ] - [ 0.0002378600000000, 0.0004608600000000, 0.0003160600000000 ] - [ -0.0008913900000000, -0.0006808900000000, 0.0003036000000000 ] - [ 0.0002137300000000, -0.0008721400000000, 0.0003304100000000 ] - [ -0.0012578500000000, -0.0004971100000000, 0.0002358900000000 ] - [ 0.0005144100000000, -0.0007276200000000, 0.0001473000000000 ] - [ -0.0007045300000000, -0.0001338300000000, -0.0005163400000000 ] - [ 0.0003442800000000, -0.0003070100000000, -0.0002229100000000 ] - [ -0.0049776700000000, -0.0024066500000000, 0.0034329500000000 ] - [ 0.0009753300000000, -0.0005673100000000, -0.0004291300000000 ] - [ -0.4561803700000000, 0.0000000000000000, -0.1256481200000000 ] - [ 0.0038063700000000, 0.0000000000000000, 0.0001261200000000 ] - [ -0.0028462800000000, 0.0000000000000000, -0.0006603500000000 ] - [ 0.0003821700000000, 0.0000000000000000, 0.0001213400000000 ] - [ -0.0014302300000000, 0.0000000000000000, -0.0000196200000000 ] - [ -0.0002314300000000, 0.0000000000000000, 0.0006364200000000 ] - [ -0.0011094500000000, 0.0000000000000000, 0.0000407300000000 ] - [ -0.0007874200000000, 0.0000000000000000, 0.0001912900000000 ] - [ 0.0303767000000000, 0.0000000000000000, 0.0046641200000000 ] - [ 0.0059990000000000, 0.0000000000000000, -0.0011898800000000 ] - [ -0.0007497000000000, 0.0000000000000000, 0.0001539900000000 ] - [ 0.0011726600000000, 0.0000000000000000, -0.0001161700000000 ] - [ -0.0004255300000000, 0.0000000000000000, 0.0007681800000000 ] - [ -0.0000202700000000, 0.0000000000000000, 0.0007275900000000 ] - [ -0.0001967600000000, 0.0000000000000000, 0.0005756300000000 ] - [ -0.0000962800000000, 0.0000000000000000, 0.0005586100000000 ] - [ -0.0004036900000000, 0.0004383300000000, -0.0006502500000000 ] - [ 0.0024569400000000, -0.0003837400000000, 0.0007083100000000 ] - [ -0.0004036900000000, -0.0004383300000000, -0.0006502500000000 ] - [ 0.0024569400000000, 0.0003837400000000, 0.0007083100000000 ] - [ 0.0001038600000000, 0.0003607300000000, 0.0002169800000000 ] - [ 0.0015255100000000, 0.0000405500000000, 0.0001411300000000 ] - [ 0.0001038600000000, -0.0003607300000000, 0.0002169800000000 ] - [ 0.0015255100000000, -0.0000405500000000, 0.0001411300000000 ]- atom: 89 displacement: [ -0.0099995491105751, 0.0000000000000000, 0.0000949609666999 ] forces: - [ 0.0055123600000000, 0.0000000000000000, 0.0028207400000000 ] - [ 0.0031922300000000, 0.0000000000000000, 0.0064103200000000 ] - [ 0.0038211500000000, 0.0000000000000000, 0.0046382200000000 ] - [ 0.0033798700000000, 0.0000000000000000, 0.0052176700000000 ] - [ 0.0044503800000000, 0.0000000000000000, 0.0070340400000000 ] - [ 0.0036766800000000, 0.0000000000000000, 0.0038840800000000 ] - [ 0.0036892300000000, 0.0000000000000000, 0.0050645600000000 ] - [ 0.0034941300000000, 0.0000000000000000, 0.0046602800000000 ] - [ -0.0033451300000000, -0.0022487100000000, -0.0052071300000000 ] - [ -0.0016235600000000, 0.0024092500000000, -0.0054198500000000 ] - [ -0.0033451300000000, 0.0022487100000000, -0.0052071300000000 ] - [ -0.0016235600000000, -0.0024092500000000, -0.0054198500000000 ] - [ -0.0037485200000000, -0.0000911900000000, -0.0045976800000000 ] - [ -0.0034695400000000, 0.0000955900000000, -0.0045533000000000 ] - [ -0.0037485200000000, 0.0000911900000000, -0.0045976800000000 ] - [ -0.0034695400000000, -0.0000955900000000, -0.0045533000000000 ] - [ -0.0108474600000000, 0.0026319100000000, 0.0075534500000000 ] - [ 0.0015946300000000, -0.0005466800000000, -0.0013897500000000 ] - [ -0.0003808600000000, -0.0001012300000000, 0.0000318000000000 ] - [ 0.0008060100000000, -0.0003231700000000, -0.0006924400000000 ] - [ -0.0005034700000000, 0.0001975400000000, 0.0003342500000000 ] - [ 0.0002676000000000, -0.0001345200000000, 0.0001248700000000 ] - [ -0.0002883000000000, 0.0000586600000000, 0.0002098500000000 ] - [ -0.0001035100000000, 0.0000815500000000, 0.0002421500000000 ] - [ -0.0003808600000000, 0.0001012300000000, 0.0000318000000000 ] - [ 0.0008060100000000, 0.0003231700000000, -0.0006924400000000 ] - [ -0.0108474600000000, -0.0026319100000000, 0.0075534500000000 ] - [ 0.0015946300000000, 0.0005466800000000, -0.0013897500000000 ] - [ -0.0002883000000000, -0.0000586600000000, 0.0002098500000000 ] - [ -0.0001035100000000, -0.0000815500000000, 0.0002421500000000 ] - [ -0.0005034700000000, -0.0001975400000000, 0.0003342500000000 ] - [ 0.0002676000000000, 0.0001345200000000, 0.0001248700000000 ] - [ -0.0025581500000000, 0.0001368100000000, 0.0004698100000000 ] - [ 0.0033356200000000, -0.0001795500000000, 0.0007240800000000 ] - [ -0.0025581500000000, -0.0001368100000000, 0.0004698100000000 ] - [ 0.0033356200000000, 0.0001795500000000, 0.0007240800000000 ] - [ -0.0001434000000000, 0.0020574900000000, 0.0007618600000000 ] - [ 0.0015694800000000, 0.0003698300000000, 0.0004546500000000 ] - [ -0.0001434000000000, -0.0020574900000000, 0.0007618600000000 ] - [ 0.0015694800000000, -0.0003698300000000, 0.0004546500000000 ] - [ -0.4281085800000000, 0.0000000000000000, -0.1033599300000000 ] - [ 0.0082942200000000, 0.0000000000000000, -0.0031518900000000 ] - [ -0.0034852700000000, 0.0000000000000000, -0.0019607200000000 ] - [ 0.0019203300000000, 0.0000000000000000, -0.0006422500000000 ] - [ -0.0014525800000000, 0.0000000000000000, 0.0000772300000000 ] - [ 0.0002818100000000, 0.0000000000000000, 0.0014018800000000 ] - [ -0.0009137100000000, 0.0000000000000000, 0.0001282200000000 ] - [ -0.0004781500000000, 0.0000000000000000, 0.0003920400000000 ] - [ -0.0067323400000000, -0.0100914900000000, -0.0169879500000000 ] - [ -0.0021176700000000, -0.0002394000000000, 0.0011769900000000 ] - [ 0.0009050600000000, -0.0000258200000000, 0.0005406100000000 ] - [ -0.0008184100000000, -0.0006707500000000, 0.0005543200000000 ] - [ 0.0006124800000000, -0.0007532600000000, -0.0001836300000000 ] - [ -0.0002329200000000, -0.0007101100000000, -0.0008035300000000 ] - [ 0.0003919900000000, -0.0006758000000000, -0.0002098100000000 ] - [ 0.0002153500000000, -0.0007278000000000, -0.0002950700000000 ] - [ 0.0008116100000000, 0.0006900000000000, -0.0002631900000000 ] - [ -0.0009694600000000, 0.0004598200000000, -0.0001677000000000 ] - [ 0.0004460700000000, 0.0005040900000000, -0.0003324100000000 ] - [ -0.0006670500000000, 0.0003175100000000, -0.0003505000000000 ] - [ 0.0045340700000000, -0.0012142000000000, -0.0034576000000000 ] - [ -0.0014275900000000, 0.0006208000000000, 0.0004059100000000 ] - [ 0.0002530700000000, 0.0010523500000000, 0.0004950100000000 ] - [ -0.0007967800000000, 0.0008812500000000, 0.0001998700000000 ] - [ 0.0017551100000000, 0.0003933500000000, -0.0011280200000000 ] - [ -0.0009368500000000, -0.0000584600000000, -0.0000467200000000 ] - [ 0.0017551100000000, -0.0003933500000000, -0.0011280200000000 ] - [ -0.0009368500000000, 0.0000584600000000, -0.0000467200000000 ] - [ 0.0006626100000000, -0.0004595600000000, -0.0011283300000000 ] - [ -0.0003087000000000, -0.0001337700000000, -0.0002708600000000 ] - [ 0.0006626100000000, 0.0004595600000000, -0.0011283300000000 ] - [ -0.0003087000000000, 0.0001337700000000, -0.0002708600000000 ] - [ -0.0067323400000000, 0.0100914900000000, -0.0169879500000000 ] - [ -0.0021176700000000, 0.0002394000000000, 0.0011769900000000 ] - [ 0.0009050600000000, 0.0000258200000000, 0.0005406100000000 ] - [ -0.0008184100000000, 0.0006707500000000, 0.0005543200000000 ] - [ 0.0006124800000000, 0.0007532600000000, -0.0001836300000000 ] - [ -0.0002329200000000, 0.0007101100000000, -0.0008035300000000 ] - [ 0.0003919900000000, 0.0006758000000000, -0.0002098100000000 ] - [ 0.0002153500000000, 0.0007278000000000, -0.0002950700000000 ] - [ 0.0004460700000000, -0.0005040900000000, -0.0003324100000000 ] - [ -0.0006670500000000, -0.0003175100000000, -0.0003505000000000 ] - [ 0.0008116100000000, -0.0006900000000000, -0.0002631900000000 ] - [ -0.0009694600000000, -0.0004598200000000, -0.0001677000000000 ] - [ 0.0002530700000000, -0.0010523500000000, 0.0004950100000000 ] - [ -0.0007967800000000, -0.0008812500000000, 0.0001998700000000 ] - [ 0.0045340700000000, 0.0012142000000000, -0.0034576000000000 ] - [ -0.0014275900000000, -0.0006208000000000, 0.0004059100000000 ] - [ 0.4817668200000000, 0.0000000000000000, 0.1353772800000000 ] - [ -0.0058442700000000, 0.0000000000000000, -0.0001859700000000 ] - [ 0.0008209800000000, 0.0000000000000000, 0.0006012900000000 ] - [ -0.0024106200000000, 0.0000000000000000, -0.0001821800000000 ] - [ -0.0005965900000000, 0.0000000000000000, -0.0000405400000000 ] - [ -0.0017953300000000, 0.0000000000000000, -0.0006960900000000 ] - [ -0.0009158700000000, 0.0000000000000000, -0.0001011900000000 ] - [ -0.0012383900000000, 0.0000000000000000, -0.0002515900000000 ] - [ -0.0315623700000000, 0.0000000000000000, -0.0038709600000000 ] - [ -0.0061401800000000, 0.0000000000000000, 0.0019190400000000 ] - [ 0.0006120400000000, 0.0000000000000000, 0.0005545300000000 ] - [ -0.0013098900000000, 0.0000000000000000, 0.0008239500000000 ] - [ 0.0002860000000000, 0.0000000000000000, -0.0000588100000000 ] - [ -0.0001182100000000, 0.0000000000000000, -0.0000193600000000 ] - [ 0.0000584600000000, 0.0000000000000000, 0.0001316300000000 ] - [ -0.0000426500000000, 0.0000000000000000, 0.0001496800000000 ] - [ 0.0024420300000000, -0.0004405600000000, 0.0007109600000000 ] - [ -0.0004315500000000, 0.0003840500000000, -0.0006486100000000 ] - [ 0.0024420300000000, 0.0004405600000000, 0.0007109600000000 ] - [ -0.0004315500000000, -0.0003840500000000, -0.0006486100000000 ] - [ 0.0019257400000000, -0.0003591200000000, -0.0001562500000000 ] - [ 0.0005006800000000, -0.0000404500000000, -0.0000827000000000 ] - [ 0.0019257400000000, 0.0003591200000000, -0.0001562500000000 ] - [ 0.0005006800000000, 0.0000404500000000, -0.0000827000000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0035896500000000, 0.0003127500000000, 0.0048529100000000 ] - [ 0.0035939400000000, 0.0009437300000000, 0.0048329800000000 ] - [ 0.0035952600000000, -0.0003477100000000, 0.0048460700000000 ] - [ 0.0035962400000000, -0.0006375600000000, 0.0048443600000000 ] - [ 0.0035941100000000, 0.0012267900000000, 0.0048415700000000 ] - [ 0.0035966400000000, 0.0007024500000000, 0.0048463400000000 ] - [ 0.0035955300000000, -0.0005164500000000, 0.0048451200000000 ] - [ 0.0035962600000000, -0.0005155900000000, 0.0048463300000000 ] - [ -0.0029009000000000, 0.0005689500000000, -0.0045445500000000 ] - [ -0.0045661000000000, -0.0004909100000000, -0.0042753700000000 ] - [ -0.0042456000000000, 0.0006429000000000, -0.0051473800000000 ] - [ -0.0026349400000000, -0.0004751400000000, -0.0054145000000000 ] - [ -0.0034874900000000, 0.0000033300000000, -0.0048952900000000 ] - [ -0.0036661700000000, 0.0000050500000000, -0.0049725600000000 ] - [ -0.0037027200000000, 0.0000030500000000, -0.0047977100000000 ] - [ -0.0035257000000000, 0.0000054100000000, -0.0047201800000000 ] - [ 0.0049013800000000, -0.0018097400000000, -0.0066005300000000 ] - [ -0.0001082700000000, 0.0000755400000000, 0.0000299000000000 ] - [ 0.0005167200000000, -0.0005548100000000, -0.0003396700000000 ] - [ 0.0000432700000000, -0.0000368900000000, 0.0000309300000000 ] - [ -0.0003970300000000, 0.0001655400000000, 0.0003807300000000 ] - [ -0.0001649400000000, 0.0000912000000000, 0.0001671600000000 ] - [ 0.0004377300000000, -0.0001626400000000, -0.0003987300000000 ] - [ 0.0001559700000000, -0.0000873900000000, -0.0001688000000000 ] - [ -0.0005153400000000, -0.0005555900000000, 0.0003408600000000 ] - [ -0.0000491300000000, -0.0000396800000000, -0.0000254300000000 ] - [ -0.0048551900000000, -0.0017869200000000, 0.0065497800000000 ] - [ 0.0001026700000000, 0.0000739200000000, -0.0000254700000000 ] - [ -0.0004347600000000, -0.0001622300000000, 0.0003962700000000 ] - [ -0.0001554100000000, -0.0000870900000000, 0.0001674000000000 ] - [ 0.0004011200000000, 0.0001670000000000, -0.0003835300000000 ] - [ 0.0001641100000000, 0.0000906600000000, -0.0001680600000000 ] - [ -0.0007718000000000, -0.0000646300000000, 0.0025922100000000 ] - [ 0.0013051500000000, 0.0000088700000000, 0.0008597800000000 ] - [ 0.0022727800000000, -0.0000598700000000, -0.0021498300000000 ] - [ 0.0001555000000000, 0.0000108200000000, -0.0004128700000000 ] - [ 0.0007103500000000, -0.0032110200000000, -0.0022801800000000 ] - [ 0.0006350000000000, -0.0002100600000000, -0.0000380300000000 ] - [ 0.0007674400000000, -0.0031926400000000, 0.0027260600000000 ] - [ 0.0008379000000000, -0.0002055500000000, 0.0004866800000000 ] - [ 0.0004520000000000, 0.0827991500000000, 0.0001326700000000 ] - [ -0.0007591900000000, 0.0019868800000000, -0.0002213400000000 ] - [ -0.0007287800000000, -0.0032528700000000, -0.0002197600000000 ] - [ -0.0007471700000000, -0.0019817000000000, -0.0002237100000000 ] - [ -0.0007370400000000, 0.0007953800000000, -0.0002255200000000 ] - [ -0.0007394900000000, 0.0004034000000000, -0.0002289600000000 ] - [ -0.0007372300000000, -0.0008265500000000, -0.0002265000000000 ] - [ -0.0007380100000000, -0.0004507100000000, -0.0002269700000000 ] - [ 0.0286339100000000, 0.0000615900000000, 0.0221128200000000 ] - [ -0.0000418300000000, -0.0014797900000000, -0.0002597000000000 ] - [ 0.0000592200000000, 0.0010981900000000, 0.0007260700000000 ] - [ 0.0005938100000000, 0.0003493700000000, 0.0001808400000000 ] - [ 0.0003946200000000, -0.0009642600000000, -0.0003084700000000 ] - [ 0.0002883200000000, -0.0007971500000000, -0.0001089600000000 ] - [ 0.0000356700000000, -0.0002084900000000, 0.0003528300000000 ] - [ 0.0001805000000000, -0.0003799000000000, 0.0001602100000000 ] - [ 0.0000619900000000, 0.0001455800000000, -0.0007397800000000 ] - [ -0.0002731900000000, 0.0003532100000000, -0.0002818000000000 ] - [ -0.0006193600000000, 0.0011635600000000, 0.0008910200000000 ] - [ -0.0001644500000000, 0.0008334200000000, 0.0002599400000000 ] - [ -0.0021589200000000, 0.0027379700000000, 0.0036460100000000 ] - [ -0.0000412400000000, 0.0006093800000000, 0.0001647000000000 ] - [ -0.0004485500000000, 0.0015515900000000, -0.0000491500000000 ] - [ -0.0002774100000000, 0.0007007200000000, -0.0001013900000000 ] - [ 0.0009564500000000, 0.0005708600000000, -0.0019949400000000 ] - [ 0.0000313900000000, -0.0000058700000000, -0.0005786000000000 ] - [ -0.0008291500000000, 0.0005757800000000, 0.0012993000000000 ] - [ 0.0001134100000000, -0.0000073800000000, -0.0001306900000000 ] - [ -0.0005282900000000, 0.0005828700000000, 0.0007145200000000 ] - [ 0.0000642600000000, 0.0000196000000000, -0.0002347300000000 ] - [ 0.0006651600000000, 0.0005786400000000, -0.0014182200000000 ] - [ 0.0000770600000000, 0.0000184500000000, -0.0004742500000000 ] - [ -0.0284948200000000, 0.0012812800000000, -0.0224031200000000 ] - [ 0.0005046900000000, -0.0002900600000000, 0.0002760800000000 ] - [ 0.0003894200000000, 0.0022918600000000, -0.0007103000000000 ] - [ -0.0001336400000000, 0.0015396800000000, -0.0001656500000000 ] - [ 0.0000558100000000, 0.0002231800000000, 0.0003304700000000 ] - [ 0.0001664700000000, 0.0003909600000000, 0.0001336600000000 ] - [ 0.0004157500000000, 0.0009797700000000, -0.0003302500000000 ] - [ 0.0002723800000000, 0.0008092600000000, -0.0001383100000000 ] - [ 0.0001622900000000, -0.0000272300000000, -0.0009072300000000 ] - [ -0.0002851000000000, -0.0003564600000000, -0.0002792100000000 ] - [ -0.0005205800000000, -0.0010457900000000, 0.0007223800000000 ] - [ -0.0001747500000000, -0.0008382100000000, 0.0002623400000000 ] - [ -0.0000050600000000, 0.0003666200000000, 0.0000239700000000 ] - [ -0.0001710400000000, -0.0004859700000000, 0.0000784000000000 ] - [ 0.0016841300000000, 0.0015325400000000, -0.0036424800000000 ] - [ -0.0004067800000000, -0.0005811000000000, -0.0001856200000000 ] - [ -0.0020165000000000, -0.0702755700000000, -0.0000885300000000 ] - [ -0.0009979600000000, -0.0004694200000000, -0.0000279100000000 ] - [ -0.0010162800000000, 0.0010646400000000, -0.0000310300000000 ] - [ -0.0010075100000000, 0.0004795800000000, -0.0000288800000000 ] - [ -0.0010130600000000, -0.0001991300000000, -0.0000292000000000 ] - [ -0.0010103400000000, -0.0001015800000000, -0.0000280200000000 ] - [ -0.0010108200000000, 0.0002048900000000, -0.0000287100000000 ] - [ -0.0010103800000000, 0.0001220300000000, -0.0000285400000000 ] - [ -0.0000152500000000, -0.0160846200000000, 0.0004043400000000 ] - [ -0.0000571000000000, -0.0008139600000000, 0.0003492200000000 ] - [ -0.0000719500000000, 0.0006693500000000, 0.0003532800000000 ] - [ -0.0000642200000000, 0.0008469500000000, 0.0003516800000000 ] - [ -0.0000711300000000, -0.0002507500000000, 0.0003560300000000 ] - [ -0.0000696100000000, -0.0001183400000000, 0.0003550000000000 ] - [ -0.0000701100000000, 0.0002552000000000, 0.0003547900000000 ] - [ -0.0000695800000000, 0.0001257200000000, 0.0003544200000000 ] - [ 0.0014418900000000, 0.0000176500000000, -0.0003520300000000 ] - [ 0.0006274700000000, -0.0000039300000000, -0.0004559600000000 ] - [ 0.0005711800000000, 0.0000137900000000, 0.0004065600000000 ] - [ 0.0014055700000000, -0.0000032900000000, 0.0005187500000000 ] - [ 0.0013774800000000, 0.0005891700000000, 0.0008223200000000 ] - [ 0.0010532800000000, 0.0000437500000000, 0.0001211300000000 ] - [ 0.0006430700000000, 0.0005864400000000, -0.0007630100000000 ] - [ 0.0009710200000000, 0.0000423500000000, -0.0000631000000000 ]- atom: 89 displacement: [ -0.0018484943313082, 0.0000000000000000, 0.0098276685285535 ] forces: - [ 0.0045670500000000, 0.0000000000000000, 0.0039642400000000 ] - [ 0.0040334400000000, 0.0000000000000000, 0.0080124300000000 ] - [ 0.0036573900000000, 0.0000000000000000, 0.0050082500000000 ] - [ 0.0034313100000000, 0.0000000000000000, 0.0050523300000000 ] - [ 0.0028529600000000, 0.0000000000000000, 0.0035918800000000 ] - [ 0.0043571800000000, 0.0000000000000000, 0.0040788600000000 ] - [ 0.0033927800000000, 0.0000000000000000, 0.0046214900000000 ] - [ 0.0038503500000000, 0.0000000000000000, 0.0046473600000000 ] - [ -0.0036471200000000, 0.0003352000000000, -0.0034853400000000 ] - [ -0.0039432000000000, 0.0004610300000000, -0.0036615200000000 ] - [ -0.0036471200000000, -0.0003352000000000, -0.0034853400000000 ] - [ -0.0039432000000000, -0.0004610300000000, -0.0036615200000000 ] - [ -0.0034973500000000, 0.0000916900000000, -0.0054207800000000 ] - [ -0.0036574600000000, 0.0000209700000000, -0.0053751500000000 ] - [ -0.0034973500000000, -0.0000916900000000, -0.0054207800000000 ] - [ -0.0036574600000000, -0.0000209700000000, -0.0053751500000000 ] - [ 0.0025452800000000, -0.0029193300000000, -0.0052965800000000 ] - [ -0.0003314400000000, 0.0001260100000000, 0.0004219700000000 ] - [ -0.0003828200000000, 0.0003447700000000, 0.0004585700000000 ] - [ -0.0001592000000000, 0.0000653200000000, 0.0002192700000000 ] - [ 0.0007478900000000, -0.0002562100000000, -0.0009151700000000 ] - [ -0.0000589600000000, 0.0000749600000000, -0.0002955400000000 ] - [ 0.0006244800000000, -0.0002299000000000, -0.0006625300000000 ] - [ 0.0002190600000000, -0.0001114300000000, -0.0003018200000000 ] - [ -0.0003828200000000, -0.0003447700000000, 0.0004585700000000 ] - [ -0.0001592000000000, -0.0000653200000000, 0.0002192700000000 ] - [ 0.0025452800000000, 0.0029193300000000, -0.0052965800000000 ] - [ -0.0003314400000000, -0.0001260100000000, 0.0004219700000000 ] - [ 0.0006244800000000, 0.0002299000000000, -0.0006625300000000 ] - [ 0.0002190600000000, 0.0001114300000000, -0.0003018200000000 ] - [ 0.0007478900000000, 0.0002562100000000, -0.0009151700000000 ] - [ -0.0000589600000000, -0.0000749600000000, -0.0002955400000000 ] - [ 0.0018527000000000, 0.0015649200000000, -0.0013275100000000 ] - [ 0.0001216200000000, 0.0007013600000000, 0.0001508300000000 ] - [ 0.0018527000000000, -0.0015649200000000, -0.0013275100000000 ] - [ 0.0001216200000000, -0.0007013600000000, 0.0001508300000000 ] - [ 0.0010085400000000, -0.0033849700000000, -0.0022595900000000 ] - [ 0.0006012300000000, -0.0002797800000000, 0.0001442500000000 ] - [ 0.0010085400000000, 0.0033849700000000, -0.0022595900000000 ] - [ 0.0006012300000000, 0.0002797800000000, 0.0001442500000000 ] - [ 0.0205304000000000, 0.0000000000000000, 0.0972668200000000 ] - [ 0.0001066600000000, 0.0000000000000000, 0.0020629600000000 ] - [ -0.0006245200000000, 0.0000000000000000, 0.0017580400000000 ] - [ -0.0006144800000000, 0.0000000000000000, 0.0003716300000000 ] - [ -0.0006152500000000, 0.0000000000000000, -0.0020796700000000 ] - [ -0.0012947700000000, 0.0000000000000000, -0.0021217300000000 ] - [ -0.0007247600000000, 0.0000000000000000, -0.0014612300000000 ] - [ -0.0009087500000000, 0.0000000000000000, -0.0010255600000000 ] - [ 0.0256927800000000, 0.0107412800000000, 0.0012316100000000 ] - [ 0.0000200900000000, -0.0010952800000000, -0.0009458300000000 ] - [ 0.0004132700000000, -0.0010875600000000, -0.0007914400000000 ] - [ 0.0002612700000000, -0.0007173000000000, -0.0002858700000000 ] - [ -0.0000992900000000, -0.0001981600000000, 0.0010073300000000 ] - [ 0.0004964400000000, -0.0004055900000000, 0.0009791200000000 ] - [ -0.0000646300000000, -0.0002897100000000, 0.0006903300000000 ] - [ 0.0001711500000000, -0.0004033100000000, 0.0003999500000000 ] - [ -0.0008446000000000, 0.0001484800000000, 0.0007396000000000 ] - [ -0.0001654600000000, 0.0002383100000000, 0.0000973700000000 ] - [ -0.0005527600000000, 0.0014068900000000, 0.0009416100000000 ] - [ -0.0001738800000000, 0.0009325100000000, 0.0003326400000000 ] - [ -0.0012448900000000, 0.0029985500000000, 0.0027690200000000 ] - [ 0.0001104700000000, 0.0006927900000000, -0.0001568600000000 ] - [ -0.0001981000000000, -0.0004186400000000, -0.0002382100000000 ] - [ -0.0001209700000000, 0.0004768600000000, -0.0001677300000000 ] - [ -0.0005153000000000, -0.0011217000000000, 0.0004227600000000 ] - [ 0.0002195600000000, -0.0001823500000000, -0.0005294400000000 ] - [ -0.0005153000000000, 0.0011217000000000, 0.0004227600000000 ] - [ 0.0002195600000000, 0.0001823500000000, -0.0005294400000000 ] - [ -0.0005395700000000, 0.0005870000000000, 0.0007281000000000 ] - [ 0.0001899000000000, 0.0000821900000000, -0.0002469300000000 ] - [ -0.0005395700000000, -0.0005870000000000, 0.0007281000000000 ] - [ 0.0001899000000000, -0.0000821900000000, -0.0002469300000000 ] - [ 0.0256927800000000, -0.0107412800000000, 0.0012316100000000 ] - [ 0.0000200900000000, 0.0010952800000000, -0.0009458300000000 ] - [ 0.0004132700000000, 0.0010875600000000, -0.0007914400000000 ] - [ 0.0002612700000000, 0.0007173000000000, -0.0002858700000000 ] - [ -0.0000992900000000, 0.0001981600000000, 0.0010073300000000 ] - [ 0.0004964400000000, 0.0004055900000000, 0.0009791200000000 ] - [ -0.0000646300000000, 0.0002897100000000, 0.0006903300000000 ] - [ 0.0001711500000000, 0.0004033100000000, 0.0003999500000000 ] - [ -0.0005527600000000, -0.0014068900000000, 0.0009416100000000 ] - [ -0.0001738800000000, -0.0009325100000000, 0.0003326400000000 ] - [ -0.0008446000000000, -0.0001484800000000, 0.0007396000000000 ] - [ -0.0001654600000000, -0.0002383100000000, 0.0000973700000000 ] - [ -0.0001981000000000, 0.0004186400000000, -0.0002382100000000 ] - [ -0.0001209700000000, -0.0004768600000000, -0.0001677300000000 ] - [ -0.0012448900000000, -0.0029985500000000, 0.0027690200000000 ] - [ 0.0001104700000000, -0.0006927900000000, -0.0001568600000000 ] - [ -0.0439457200000000, 0.0000000000000000, -0.0860177700000000 ] - [ -0.0017592400000000, 0.0000000000000000, -0.0008228900000000 ] - [ -0.0013159900000000, 0.0000000000000000, -0.0006107800000000 ] - [ -0.0011324600000000, 0.0000000000000000, -0.0002538900000000 ] - [ -0.0009336100000000, 0.0000000000000000, 0.0005328500000000 ] - [ -0.0005060800000000, 0.0000000000000000, 0.0006099700000000 ] - [ -0.0009350400000000, 0.0000000000000000, 0.0003263500000000 ] - [ -0.0008457800000000, 0.0000000000000000, 0.0002414000000000 ] - [ -0.0328624900000000, 0.0000000000000000, -0.0116740700000000 ] - [ 0.0001239700000000, 0.0000000000000000, -0.0007059900000000 ] - [ 0.0002474200000000, 0.0000000000000000, -0.0004218500000000 ] - [ -0.0000342200000000, 0.0000000000000000, 0.0000506900000000 ] - [ -0.0004762300000000, 0.0000000000000000, 0.0012662400000000 ] - [ -0.0002880300000000, 0.0000000000000000, 0.0010192500000000 ] - [ -0.0003012100000000, 0.0000000000000000, 0.0009430400000000 ] - [ -0.0001722700000000, 0.0000000000000000, 0.0006945400000000 ] - [ 0.0006162200000000, -0.0004531000000000, 0.0001405100000000 ] - [ 0.0014282300000000, -0.0004091700000000, -0.0000536000000000 ] - [ 0.0006162200000000, 0.0004531000000000, 0.0001405100000000 ] - [ 0.0014282300000000, 0.0004091700000000, -0.0000536000000000 ] - [ 0.0013828400000000, 0.0007122900000000, 0.0009110400000000 ] - [ 0.0010440000000000, 0.0000831100000000, 0.0001689800000000 ] - [ 0.0013828400000000, -0.0007122900000000, 0.0009110400000000 ] - [ 0.0010440000000000, -0.0000831100000000, 0.0001689800000000 ]- atom: 89 displacement: [ 0.0018484943313082, 0.0000000000000000, -0.0098276685285535 ] forces: - [ 0.0026171700000000, 0.0000000000000000, 0.0057330800000000 ] - [ 0.0032342800000000, 0.0000000000000000, 0.0018116900000000 ] - [ 0.0035339600000000, 0.0000000000000000, 0.0046815200000000 ] - [ 0.0037610000000000, 0.0000000000000000, 0.0046361800000000 ] - [ 0.0043333800000000, 0.0000000000000000, 0.0060835600000000 ] - [ 0.0028343500000000, 0.0000000000000000, 0.0056130700000000 ] - [ 0.0037985500000000, 0.0000000000000000, 0.0050654900000000 ] - [ 0.0033427200000000, 0.0000000000000000, 0.0050409600000000 ] - [ -0.0035464000000000, -0.0003200000000000, -0.0061964600000000 ] - [ -0.0032578200000000, -0.0004715600000000, -0.0060232300000000 ] - [ -0.0035464000000000, 0.0003200000000000, -0.0061964600000000 ] - [ -0.0032578200000000, 0.0004715600000000, -0.0060232300000000 ] - [ -0.0036933000000000, -0.0000906600000000, -0.0042704800000000 ] - [ -0.0035346900000000, -0.0000212300000000, -0.0043162500000000 ] - [ -0.0036933000000000, 0.0000906600000000, -0.0042704800000000 ] - [ -0.0035346900000000, 0.0000212300000000, -0.0043162500000000 ] - [ -0.0024898100000000, 0.0029068500000000, 0.0052533700000000 ] - [ 0.0003245300000000, -0.0001236700000000, -0.0004159000000000 ] - [ 0.0003840000000000, -0.0003436200000000, -0.0004584500000000 ] - [ 0.0001560600000000, -0.0000639100000000, -0.0002164500000000 ] - [ -0.0007426800000000, 0.0002542900000000, 0.0009105700000000 ] - [ 0.0000572900000000, -0.0000736500000000, 0.0002938300000000 ] - [ -0.0006214300000000, 0.0002292500000000, 0.0006597600000000 ] - [ -0.0002179700000000, 0.0001109100000000, 0.0003000200000000 ] - [ 0.0003840000000000, 0.0003436200000000, -0.0004584500000000 ] - [ 0.0001560600000000, 0.0000639100000000, -0.0002164500000000 ] - [ -0.0024898100000000, -0.0029068500000000, 0.0052533700000000 ] - [ 0.0003245300000000, 0.0001236700000000, -0.0004159000000000 ] - [ -0.0006214300000000, -0.0002292500000000, 0.0006597600000000 ] - [ -0.0002179700000000, -0.0001109100000000, 0.0003000200000000 ] - [ -0.0007426800000000, -0.0002542900000000, 0.0009105700000000 ] - [ 0.0000572900000000, 0.0000736500000000, 0.0002938300000000 ] - [ -0.0003579900000000, -0.0015607900000000, 0.0017687400000000 ] - [ 0.0013406200000000, -0.0006988900000000, 0.0002931300000000 ] - [ -0.0003579900000000, 0.0015607900000000, 0.0017687400000000 ] - [ 0.0013406200000000, 0.0006988900000000, 0.0002931300000000 ] - [ 0.0004707100000000, 0.0033717100000000, 0.0027004900000000 ] - [ 0.0008695200000000, 0.0002762300000000, 0.0002988700000000 ] - [ 0.0004707100000000, -0.0033717100000000, 0.0027004900000000 ] - [ 0.0008695200000000, -0.0002762300000000, 0.0002988700000000 ] - [ -0.0202323900000000, 0.0000000000000000, -0.0967887100000000 ] - [ -0.0016205300000000, 0.0000000000000000, -0.0024880000000000 ] - [ -0.0008396600000000, 0.0000000000000000, -0.0021929200000000 ] - [ -0.0008695300000000, 0.0000000000000000, -0.0008145900000000 ] - [ -0.0008567200000000, 0.0000000000000000, 0.0016293700000000 ] - [ -0.0001871000000000, 0.0000000000000000, 0.0016621200000000 ] - [ -0.0007485300000000, 0.0000000000000000, 0.0010118200000000 ] - [ -0.0005667200000000, 0.0000000000000000, 0.0005754500000000 ] - [ -0.0254524200000000, -0.0121245500000000, -0.0011303400000000 ] - [ 0.0004378700000000, -0.0000967800000000, 0.0009567000000000 ] - [ 0.0000340800000000, -0.0001051600000000, 0.0008060300000000 ] - [ 0.0001915000000000, -0.0004724100000000, 0.0003014800000000 ] - [ 0.0005445000000000, -0.0009896800000000, -0.0009844100000000 ] - [ -0.0000441200000000, -0.0007826800000000, -0.0009525200000000 ] - [ 0.0005124100000000, -0.0008981800000000, -0.0006688700000000 ] - [ 0.0002782300000000, -0.0007845800000000, -0.0003791300000000 ] - [ 0.0003897000000000, 0.0010386200000000, -0.0007558100000000 ] - [ -0.0002785400000000, 0.0009497200000000, -0.0001157900000000 ] - [ 0.0000999400000000, -0.0002156000000000, -0.0009576600000000 ] - [ -0.0002725200000000, 0.0002580300000000, -0.0003501700000000 ] - [ 0.0007688900000000, -0.0017985900000000, -0.0027683600000000 ] - [ -0.0005526900000000, 0.0004978700000000, 0.0001363200000000 ] - [ -0.0002519000000000, 0.0016056000000000, 0.0002165200000000 ] - [ -0.0003252800000000, 0.0007107500000000, 0.0001475400000000 ] - [ 0.0006455400000000, 0.0011138600000000, -0.0011220200000000 ] - [ -0.0000757700000000, 0.0001819700000000, -0.0001769300000000 ] - [ 0.0006455400000000, -0.0011138600000000, -0.0011220200000000 ] - [ -0.0000757700000000, -0.0001819700000000, -0.0001769300000000 ] - [ 0.0006756700000000, -0.0005841400000000, -0.0014273500000000 ] - [ -0.0000482500000000, -0.0000811300000000, -0.0004568600000000 ] - [ 0.0006756700000000, 0.0005841400000000, -0.0014273500000000 ] - [ -0.0000482500000000, 0.0000811300000000, -0.0004568600000000 ] - [ -0.0254524200000000, 0.0121245500000000, -0.0011303400000000 ] - [ 0.0004378700000000, 0.0000967800000000, 0.0009567000000000 ] - [ 0.0000340800000000, 0.0001051600000000, 0.0008060300000000 ] - [ 0.0001915000000000, 0.0004724100000000, 0.0003014800000000 ] - [ 0.0005445000000000, 0.0009896800000000, -0.0009844100000000 ] - [ -0.0000441200000000, 0.0007826800000000, -0.0009525200000000 ] - [ 0.0005124100000000, 0.0008981800000000, -0.0006688700000000 ] - [ 0.0002782300000000, 0.0007845800000000, -0.0003791300000000 ] - [ 0.0000999400000000, 0.0002156000000000, -0.0009576600000000 ] - [ -0.0002725200000000, -0.0002580300000000, -0.0003501700000000 ] - [ 0.0003897000000000, -0.0010386200000000, -0.0007558100000000 ] - [ -0.0002785400000000, -0.0009497200000000, -0.0001157900000000 ] - [ -0.0002519000000000, -0.0016056000000000, 0.0002165200000000 ] - [ -0.0003252800000000, -0.0007107500000000, 0.0001475400000000 ] - [ 0.0007688900000000, 0.0017985900000000, -0.0027683600000000 ] - [ -0.0005526900000000, -0.0004978700000000, 0.0001363200000000 ] - [ 0.0407067600000000, 0.0000000000000000, 0.0847628900000000 ] - [ -0.0002544200000000, 0.0000000000000000, 0.0007494800000000 ] - [ -0.0007285600000000, 0.0000000000000000, 0.0005350000000000 ] - [ -0.0008994000000000, 0.0000000000000000, 0.0001815400000000 ] - [ -0.0011063100000000, 0.0000000000000000, -0.0006016200000000 ] - [ -0.0015253500000000, 0.0000000000000000, -0.0006751100000000 ] - [ -0.0011018500000000, 0.0000000000000000, -0.0003955100000000 ] - [ -0.0011889500000000, 0.0000000000000000, -0.0003105600000000 ] - [ 0.0324218000000000, 0.0000000000000000, 0.0123846000000000 ] - [ -0.0002348100000000, 0.0000000000000000, 0.0013972900000000 ] - [ -0.0003875700000000, 0.0000000000000000, 0.0011223900000000 ] - [ -0.0001003800000000, 0.0000000000000000, 0.0006499800000000 ] - [ 0.0003355500000000, 0.0000000000000000, -0.0005576100000000 ] - [ 0.0001498300000000, 0.0000000000000000, -0.0003115500000000 ] - [ 0.0001620400000000, 0.0000000000000000, -0.0002363600000000 ] - [ 0.0000330800000000, 0.0000000000000000, 0.0000115400000000 ] - [ 0.0014126900000000, 0.0004540900000000, -0.0000737300000000 ] - [ 0.0006168800000000, 0.0004055700000000, 0.0001258300000000 ] - [ 0.0014126900000000, -0.0004540900000000, -0.0000737300000000 ] - [ 0.0006168800000000, -0.0004055700000000, 0.0001258300000000 ] - [ 0.0006489600000000, -0.0007101200000000, -0.0008385900000000 ] - [ 0.0009961200000000, -0.0000826000000000, -0.0000966700000000 ] - [ 0.0006489600000000, 0.0007101200000000, -0.0008385900000000 ] - [ 0.0009961200000000, 0.0000826000000000, -0.0000966700000000 ]