# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d80fd43a-921c-4434-a7b5-faa4d1bdbf03/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 BaCa2I6 / Pbcn (60) / materials id 766352](https://mdr.nims.go.jp/datasets/0cd3d1be-f279-4781-8987-848589c5c7d3) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pbcn" number: 60 Hall_symbol: "-P 2n 2ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 7.257440180000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 26.936531570000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.051438480000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.381721600000000, 0.750000000000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.000000000000000, 0.618278400000000, 0.250000000000000 ] mass: 137.327000 - symbol: Ba # 3 coordinates: [ 0.500000000000000, 0.881721600000000, 0.750000000000000 ] mass: 137.327000 - symbol: Ba # 4 coordinates: [ 0.500000000000000, 0.118278400000000, 0.250000000000000 ] mass: 137.327000 - symbol: Ca # 5 coordinates: [ 0.000000000000000, 0.047792640000000, 0.750000000000000 ] mass: 40.078000 - symbol: Ca # 6 coordinates: [ 0.000000000000000, 0.285483210000000, 0.250000000000000 ] mass: 40.078000 - symbol: Ca # 7 coordinates: [ 0.000000000000000, 0.714516790000000, 0.750000000000000 ] mass: 40.078000 - symbol: Ca # 8 coordinates: [ 0.000000000000000, 0.952207360000000, 0.250000000000000 ] mass: 40.078000 - symbol: Ca # 9 coordinates: [ 0.500000000000000, 0.214516790000000, 0.750000000000000 ] mass: 40.078000 - symbol: Ca # 10 coordinates: [ 0.500000000000000, 0.785483210000000, 0.250000000000000 ] mass: 40.078000 - symbol: Ca # 11 coordinates: [ 0.500000000000000, 0.547792640000000, 0.750000000000000 ] mass: 40.078000 - symbol: Ca # 12 coordinates: [ 0.500000000000000, 0.452207360000000, 0.250000000000000 ] mass: 40.078000 - symbol: I # 13 coordinates: [ 0.760704520000000, 0.030282100000000, 0.438687700000000 ] mass: 126.904470 - symbol: I # 14 coordinates: [ 0.760704520000000, 0.969717900000000, 0.938687700000000 ] mass: 126.904470 - symbol: I # 15 coordinates: [ 0.754611770000000, 0.208805300000000, 0.437826210000000 ] mass: 126.904470 - symbol: I # 16 coordinates: [ 0.754611770000000, 0.791194700000000, 0.937826210000000 ] mass: 126.904470 - symbol: I # 17 coordinates: [ 0.746776580000000, 0.368218890000000, 0.397314130000000 ] mass: 126.904470 - symbol: I # 18 coordinates: [ 0.746776580000000, 0.631781110000000, 0.897314130000000 ] mass: 126.904470 - symbol: I # 19 coordinates: [ 0.753223420000000, 0.131781110000000, 0.897314130000000 ] mass: 126.904470 - symbol: I # 20 coordinates: [ 0.753223420000000, 0.868218890000000, 0.397314130000000 ] mass: 126.904470 - symbol: I # 21 coordinates: [ 0.745388230000000, 0.291194700000000, 0.937826210000000 ] mass: 126.904470 - symbol: I # 22 coordinates: [ 0.745388230000000, 0.708805300000000, 0.437826210000000 ] mass: 126.904470 - symbol: I # 23 coordinates: [ 0.739295480000000, 0.469717900000000, 0.938687700000000 ] mass: 126.904470 - symbol: I # 24 coordinates: [ 0.739295480000000, 0.530282100000000, 0.438687700000000 ] mass: 126.904470 - symbol: I # 25 coordinates: [ 0.260704520000000, 0.530282100000000, 0.061312300000000 ] mass: 126.904470 - symbol: I # 26 coordinates: [ 0.260704520000000, 0.469717900000000, 0.561312300000000 ] mass: 126.904470 - symbol: I # 27 coordinates: [ 0.254611770000000, 0.291194700000000, 0.562173790000000 ] mass: 126.904470 - symbol: I # 28 coordinates: [ 0.254611770000000, 0.708805300000000, 0.062173790000000 ] mass: 126.904470 - symbol: I # 29 coordinates: [ 0.246776580000000, 0.868218890000000, 0.102685870000000 ] mass: 126.904470 - symbol: I # 30 coordinates: [ 0.246776580000000, 0.131781110000000, 0.602685870000000 ] mass: 126.904470 - symbol: I # 31 coordinates: [ 0.253223420000000, 0.368218890000000, 0.102685870000000 ] mass: 126.904470 - symbol: I # 32 coordinates: [ 0.253223420000000, 0.631781110000000, 0.602685870000000 ] mass: 126.904470 - symbol: I # 33 coordinates: [ 0.245388230000000, 0.208805300000000, 0.062173790000000 ] mass: 126.904470 - symbol: I # 34 coordinates: [ 0.245388230000000, 0.791194700000000, 0.562173790000000 ] mass: 126.904470 - symbol: I # 35 coordinates: [ 0.239295480000000, 0.030282100000000, 0.061312300000000 ] mass: 126.904470 - symbol: I # 36 coordinates: [ 0.239295480000000, 0.969717900000000, 0.561312300000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.137789630392792, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.037124304493372, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.124201408541347 ] # c*unit_cell: lattice: - [ 7.257440180000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 26.936531570000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.051438480000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.381721600000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.000000000000000, 0.618278400000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.500000000000000, 0.881721600000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.500000000000000, 0.118278400000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ca # 5 coordinates: [ 0.000000000000000, 0.047792640000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 6 coordinates: [ 0.000000000000000, 0.285483210000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 6 - symbol: Ca # 7 coordinates: [ 0.000000000000000, 0.714516790000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 7 - symbol: Ca # 8 coordinates: [ 0.000000000000000, 0.952207360000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 8 - symbol: Ca # 9 coordinates: [ 0.500000000000000, 0.214516790000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 9 - symbol: Ca # 10 coordinates: [ 0.500000000000000, 0.785483210000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 10 - symbol: Ca # 11 coordinates: [ 0.500000000000000, 0.547792640000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 11 - symbol: Ca # 12 coordinates: [ 0.500000000000000, 0.452207360000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 12 - symbol: I # 13 coordinates: [ 0.760704520000000, 0.030282100000000, 0.438687700000000 ] mass: 126.904470 reduced_to: 13 - symbol: I # 14 coordinates: [ 0.760704520000000, 0.969717900000000, 0.938687700000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 15 coordinates: [ 0.754611770000000, 0.208805300000000, 0.437826210000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 16 coordinates: [ 0.754611770000000, 0.791194700000000, 0.937826210000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 17 coordinates: [ 0.746776580000000, 0.368218890000000, 0.397314130000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.746776580000000, 0.631781110000000, 0.897314130000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.753223420000000, 0.131781110000000, 0.897314130000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.753223420000000, 0.868218890000000, 0.397314130000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.745388230000000, 0.291194700000000, 0.937826210000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.745388230000000, 0.708805300000000, 0.437826210000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.739295480000000, 0.469717900000000, 0.938687700000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.739295480000000, 0.530282100000000, 0.438687700000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 25 coordinates: [ 0.260704520000000, 0.530282100000000, 0.061312300000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.260704520000000, 0.469717900000000, 0.561312300000000 ] mass: 126.904470 reduced_to: 26 - symbol: I # 27 coordinates: [ 0.254611770000000, 0.291194700000000, 0.562173790000000 ] mass: 126.904470 reduced_to: 27 - symbol: I # 28 coordinates: [ 0.254611770000000, 0.708805300000000, 0.062173790000000 ] mass: 126.904470 reduced_to: 28 - symbol: I # 29 coordinates: [ 0.246776580000000, 0.868218890000000, 0.102685870000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.246776580000000, 0.131781110000000, 0.602685870000000 ] mass: 126.904470 reduced_to: 30 - symbol: I # 31 coordinates: [ 0.253223420000000, 0.368218890000000, 0.102685870000000 ] mass: 126.904470 reduced_to: 31 - symbol: I # 32 coordinates: [ 0.253223420000000, 0.631781110000000, 0.602685870000000 ] mass: 126.904470 reduced_to: 32 - symbol: I # 33 coordinates: [ 0.245388230000000, 0.208805300000000, 0.062173790000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.245388230000000, 0.791194700000000, 0.562173790000000 ] mass: 126.904470 reduced_to: 34 - symbol: I # 35 coordinates: [ 0.239295480000000, 0.030282100000000, 0.061312300000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 36 coordinates: [ 0.239295480000000, 0.969717900000000, 0.561312300000000 ] mass: 126.904470 reduced_to: 36supercell: lattice: - [ 14.514880359999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 26.936531570000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 16.102876960000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.381721600000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.500000000000000, 0.381721600000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 3 coordinates: [ 0.000000000000000, 0.381721600000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 4 coordinates: [ 0.500000000000000, 0.381721600000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 5 coordinates: [ 0.000000000000000, 0.618278400000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.500000000000000, 0.618278400000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 7 coordinates: [ 0.000000000000000, 0.618278400000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 8 coordinates: [ 0.500000000000000, 0.618278400000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 9 coordinates: [ 0.250000000000000, 0.881721600000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.750000000000000, 0.881721600000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 11 coordinates: [ 0.250000000000000, 0.881721600000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 12 coordinates: [ 0.750000000000000, 0.881721600000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 13 coordinates: [ 0.250000000000000, 0.118278400000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.750000000000000, 0.118278400000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 15 coordinates: [ 0.250000000000000, 0.118278400000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 16 coordinates: [ 0.750000000000000, 0.118278400000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ca # 17 coordinates: [ 0.000000000000000, 0.047792640000000, 0.375000000000000 ] mass: 40.078000 reduced_to: 17 - symbol: Ca # 18 coordinates: [ 0.500000000000000, 0.047792640000000, 0.375000000000000 ] mass: 40.078000 reduced_to: 17 - symbol: Ca # 19 coordinates: [ 0.000000000000000, 0.047792640000000, 0.875000000000000 ] mass: 40.078000 reduced_to: 17 - symbol: Ca # 20 coordinates: [ 0.500000000000000, 0.047792640000000, 0.875000000000000 ] mass: 40.078000 reduced_to: 17 - symbol: Ca # 21 coordinates: [ 0.000000000000000, 0.285483210000000, 0.125000000000000 ] mass: 40.078000 reduced_to: 21 - symbol: Ca # 22 coordinates: [ 0.500000000000000, 0.285483210000000, 0.125000000000000 ] mass: 40.078000 reduced_to: 21 - symbol: Ca # 23 coordinates: [ 0.000000000000000, 0.285483210000000, 0.625000000000000 ] mass: 40.078000 reduced_to: 21 - symbol: Ca # 24 coordinates: [ 0.500000000000000, 0.285483210000000, 0.625000000000000 ] mass: 40.078000 reduced_to: 21 - symbol: Ca # 25 coordinates: [ 0.000000000000000, 0.714516790000000, 0.375000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 26 coordinates: [ 0.500000000000000, 0.714516790000000, 0.375000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 27 coordinates: [ 0.000000000000000, 0.714516790000000, 0.875000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 28 coordinates: [ 0.500000000000000, 0.714516790000000, 0.875000000000000 ] mass: 40.078000 reduced_to: 25 - symbol: Ca # 29 coordinates: [ 0.000000000000000, 0.952207360000000, 0.125000000000000 ] mass: 40.078000 reduced_to: 29 - symbol: Ca # 30 coordinates: [ 0.500000000000000, 0.952207360000000, 0.125000000000000 ] mass: 40.078000 reduced_to: 29 - symbol: Ca # 31 coordinates: [ 0.000000000000000, 0.952207360000000, 0.625000000000000 ] mass: 40.078000 reduced_to: 29 - symbol: Ca # 32 coordinates: [ 0.500000000000000, 0.952207360000000, 0.625000000000000 ] mass: 40.078000 reduced_to: 29 - symbol: Ca # 33 coordinates: [ 0.250000000000000, 0.214516790000000, 0.375000000000000 ] mass: 40.078000 reduced_to: 33 - symbol: Ca # 34 coordinates: [ 0.750000000000000, 0.214516790000000, 0.375000000000000 ] mass: 40.078000 reduced_to: 33 - symbol: Ca # 35 coordinates: [ 0.250000000000000, 0.214516790000000, 0.875000000000000 ] mass: 40.078000 reduced_to: 33 - symbol: Ca # 36 coordinates: [ 0.750000000000000, 0.214516790000000, 0.875000000000000 ] mass: 40.078000 reduced_to: 33 - symbol: Ca # 37 coordinates: [ 0.250000000000000, 0.785483210000000, 0.125000000000000 ] mass: 40.078000 reduced_to: 37 - symbol: Ca # 38 coordinates: [ 0.750000000000000, 0.785483210000000, 0.125000000000000 ] mass: 40.078000 reduced_to: 37 - symbol: Ca # 39 coordinates: [ 0.250000000000000, 0.785483210000000, 0.625000000000000 ] mass: 40.078000 reduced_to: 37 - symbol: Ca # 40 coordinates: [ 0.750000000000000, 0.785483210000000, 0.625000000000000 ] mass: 40.078000 reduced_to: 37 - symbol: Ca # 41 coordinates: [ 0.250000000000000, 0.547792640000000, 0.375000000000000 ] mass: 40.078000 reduced_to: 41 - symbol: Ca # 42 coordinates: [ 0.750000000000000, 0.547792640000000, 0.375000000000000 ] mass: 40.078000 reduced_to: 41 - symbol: Ca # 43 coordinates: [ 0.250000000000000, 0.547792640000000, 0.875000000000000 ] mass: 40.078000 reduced_to: 41 - symbol: Ca # 44 coordinates: [ 0.750000000000000, 0.547792640000000, 0.875000000000000 ] mass: 40.078000 reduced_to: 41 - symbol: Ca # 45 coordinates: [ 0.250000000000000, 0.452207360000000, 0.125000000000000 ] mass: 40.078000 reduced_to: 45 - symbol: Ca # 46 coordinates: [ 0.750000000000000, 0.452207360000000, 0.125000000000000 ] mass: 40.078000 reduced_to: 45 - symbol: Ca # 47 coordinates: [ 0.250000000000000, 0.452207360000000, 0.625000000000000 ] mass: 40.078000 reduced_to: 45 - symbol: Ca # 48 coordinates: [ 0.750000000000000, 0.452207360000000, 0.625000000000000 ] mass: 40.078000 reduced_to: 45 - symbol: I # 49 coordinates: [ 0.380352260000000, 0.030282100000000, 0.219343850000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.880352260000000, 0.030282100000000, 0.219343850000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 51 coordinates: [ 0.380352260000000, 0.030282100000000, 0.719343850000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 52 coordinates: [ 0.880352260000000, 0.030282100000000, 0.719343850000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 53 coordinates: [ 0.380352260000000, 0.969717900000000, 0.469343850000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.880352260000000, 0.969717900000000, 0.469343850000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 55 coordinates: [ 0.380352260000000, 0.969717900000000, 0.969343850000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 56 coordinates: [ 0.880352260000000, 0.969717900000000, 0.969343850000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 57 coordinates: [ 0.377305885000000, 0.208805300000000, 0.218913105000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.877305885000000, 0.208805300000000, 0.218913105000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 59 coordinates: [ 0.377305885000000, 0.208805300000000, 0.718913105000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 60 coordinates: [ 0.877305885000000, 0.208805300000000, 0.718913105000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 61 coordinates: [ 0.377305885000000, 0.791194700000000, 0.468913105000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 62 coordinates: [ 0.877305885000000, 0.791194700000000, 0.468913105000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 63 coordinates: [ 0.377305885000000, 0.791194700000000, 0.968913105000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 64 coordinates: [ 0.877305885000000, 0.791194700000000, 0.968913105000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 65 coordinates: [ 0.373388290000000, 0.368218890000000, 0.198657065000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 66 coordinates: [ 0.873388290000000, 0.368218890000000, 0.198657065000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 67 coordinates: [ 0.373388290000000, 0.368218890000000, 0.698657065000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 68 coordinates: [ 0.873388290000000, 0.368218890000000, 0.698657065000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 69 coordinates: [ 0.373388290000000, 0.631781110000000, 0.448657065000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 70 coordinates: [ 0.873388290000000, 0.631781110000000, 0.448657065000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 71 coordinates: [ 0.373388290000000, 0.631781110000000, 0.948657065000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 72 coordinates: [ 0.873388290000000, 0.631781110000000, 0.948657065000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 73 coordinates: [ 0.376611710000000, 0.131781110000000, 0.448657065000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 74 coordinates: [ 0.876611710000000, 0.131781110000000, 0.448657065000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 75 coordinates: [ 0.376611710000000, 0.131781110000000, 0.948657065000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 76 coordinates: [ 0.876611710000000, 0.131781110000000, 0.948657065000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 77 coordinates: [ 0.376611710000000, 0.868218890000000, 0.198657065000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 78 coordinates: [ 0.876611710000000, 0.868218890000000, 0.198657065000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 79 coordinates: [ 0.376611710000000, 0.868218890000000, 0.698657065000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 80 coordinates: [ 0.876611710000000, 0.868218890000000, 0.698657065000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 81 coordinates: [ 0.372694115000000, 0.291194700000000, 0.468913105000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 82 coordinates: [ 0.872694115000000, 0.291194700000000, 0.468913105000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 83 coordinates: [ 0.372694115000000, 0.291194700000000, 0.968913105000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 84 coordinates: [ 0.872694115000000, 0.291194700000000, 0.968913105000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 85 coordinates: [ 0.372694115000000, 0.708805300000000, 0.218913105000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 86 coordinates: [ 0.872694115000000, 0.708805300000000, 0.218913105000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 87 coordinates: [ 0.372694115000000, 0.708805300000000, 0.718913105000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 88 coordinates: [ 0.872694115000000, 0.708805300000000, 0.718913105000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 89 coordinates: [ 0.369647740000000, 0.469717900000000, 0.469343850000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 90 coordinates: [ 0.869647740000000, 0.469717900000000, 0.469343850000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 91 coordinates: [ 0.369647740000000, 0.469717900000000, 0.969343850000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 92 coordinates: [ 0.869647740000000, 0.469717900000000, 0.969343850000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 93 coordinates: [ 0.369647740000000, 0.530282100000000, 0.219343850000000 ] mass: 126.904470 reduced_to: 93 - symbol: I # 94 coordinates: [ 0.869647740000000, 0.530282100000000, 0.219343850000000 ] mass: 126.904470 reduced_to: 93 - symbol: I # 95 coordinates: [ 0.369647740000000, 0.530282100000000, 0.719343850000000 ] mass: 126.904470 reduced_to: 93 - symbol: I # 96 coordinates: [ 0.869647740000000, 0.530282100000000, 0.719343850000000 ] mass: 126.904470 reduced_to: 93 - symbol: I # 97 coordinates: [ 0.130352260000000, 0.530282100000000, 0.030656150000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 98 coordinates: [ 0.630352260000000, 0.530282100000000, 0.030656150000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 99 coordinates: [ 0.130352260000000, 0.530282100000000, 0.530656150000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 100 coordinates: [ 0.630352260000000, 0.530282100000000, 0.530656150000000 ] mass: 126.904470 reduced_to: 97 - symbol: I # 101 coordinates: [ 0.130352260000000, 0.469717900000000, 0.280656150000000 ] mass: 126.904470 reduced_to: 101 - symbol: I # 102 coordinates: [ 0.630352260000000, 0.469717900000000, 0.280656150000000 ] mass: 126.904470 reduced_to: 101 - symbol: I # 103 coordinates: [ 0.130352260000000, 0.469717900000000, 0.780656150000000 ] mass: 126.904470 reduced_to: 101 - symbol: I # 104 coordinates: [ 0.630352260000000, 0.469717900000000, 0.780656150000000 ] mass: 126.904470 reduced_to: 101 - symbol: I # 105 coordinates: [ 0.127305885000000, 0.291194700000000, 0.281086895000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 106 coordinates: [ 0.627305885000000, 0.291194700000000, 0.281086895000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 107 coordinates: [ 0.127305885000000, 0.291194700000000, 0.781086895000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 108 coordinates: [ 0.627305885000000, 0.291194700000000, 0.781086895000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 109 coordinates: [ 0.127305885000000, 0.708805300000000, 0.031086895000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 110 coordinates: [ 0.627305885000000, 0.708805300000000, 0.031086895000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 111 coordinates: [ 0.127305885000000, 0.708805300000000, 0.531086895000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 112 coordinates: [ 0.627305885000000, 0.708805300000000, 0.531086895000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 113 coordinates: [ 0.123388290000000, 0.868218890000000, 0.051342935000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 114 coordinates: [ 0.623388290000000, 0.868218890000000, 0.051342935000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 115 coordinates: [ 0.123388290000000, 0.868218890000000, 0.551342935000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 116 coordinates: [ 0.623388290000000, 0.868218890000000, 0.551342935000000 ] mass: 126.904470 reduced_to: 113 - symbol: I # 117 coordinates: [ 0.123388290000000, 0.131781110000000, 0.301342935000000 ] mass: 126.904470 reduced_to: 117 - symbol: I # 118 coordinates: [ 0.623388290000000, 0.131781110000000, 0.301342935000000 ] mass: 126.904470 reduced_to: 117 - symbol: I # 119 coordinates: [ 0.123388290000000, 0.131781110000000, 0.801342935000000 ] mass: 126.904470 reduced_to: 117 - symbol: I # 120 coordinates: [ 0.623388290000000, 0.131781110000000, 0.801342935000000 ] mass: 126.904470 reduced_to: 117 - symbol: I # 121 coordinates: [ 0.126611710000000, 0.368218890000000, 0.051342935000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 122 coordinates: [ 0.626611710000000, 0.368218890000000, 0.051342935000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 123 coordinates: [ 0.126611710000000, 0.368218890000000, 0.551342935000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 124 coordinates: [ 0.626611710000000, 0.368218890000000, 0.551342935000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 125 coordinates: [ 0.126611710000000, 0.631781110000000, 0.301342935000000 ] mass: 126.904470 reduced_to: 125 - symbol: I # 126 coordinates: [ 0.626611710000000, 0.631781110000000, 0.301342935000000 ] mass: 126.904470 reduced_to: 125 - symbol: I # 127 coordinates: [ 0.126611710000000, 0.631781110000000, 0.801342935000000 ] mass: 126.904470 reduced_to: 125 - symbol: I # 128 coordinates: [ 0.626611710000000, 0.631781110000000, 0.801342935000000 ] mass: 126.904470 reduced_to: 125 - symbol: I # 129 coordinates: [ 0.122694115000000, 0.208805300000000, 0.031086895000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 130 coordinates: [ 0.622694115000000, 0.208805300000000, 0.031086895000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 131 coordinates: [ 0.122694115000000, 0.208805300000000, 0.531086895000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 132 coordinates: [ 0.622694115000000, 0.208805300000000, 0.531086895000000 ] mass: 126.904470 reduced_to: 129 - symbol: I # 133 coordinates: [ 0.122694115000000, 0.791194700000000, 0.281086895000000 ] mass: 126.904470 reduced_to: 133 - symbol: I # 134 coordinates: [ 0.622694115000000, 0.791194700000000, 0.281086895000000 ] mass: 126.904470 reduced_to: 133 - symbol: I # 135 coordinates: [ 0.122694115000000, 0.791194700000000, 0.781086895000000 ] mass: 126.904470 reduced_to: 133 - symbol: I # 136 coordinates: [ 0.622694115000000, 0.791194700000000, 0.781086895000000 ] mass: 126.904470 reduced_to: 133 - symbol: I # 137 coordinates: [ 0.119647740000000, 0.030282100000000, 0.030656150000000 ] mass: 126.904470 reduced_to: 137 - symbol: I # 138 coordinates: [ 0.619647740000000, 0.030282100000000, 0.030656150000000 ] mass: 126.904470 reduced_to: 137 - symbol: I # 139 coordinates: [ 0.119647740000000, 0.030282100000000, 0.530656150000000 ] mass: 126.904470 reduced_to: 137 - symbol: I # 140 coordinates: [ 0.619647740000000, 0.030282100000000, 0.530656150000000 ] mass: 126.904470 reduced_to: 137 - symbol: I # 141 coordinates: [ 0.119647740000000, 0.969717900000000, 0.280656150000000 ] mass: 126.904470 reduced_to: 141 - symbol: I # 142 coordinates: [ 0.619647740000000, 0.969717900000000, 0.280656150000000 ] mass: 126.904470 reduced_to: 141 - symbol: I # 143 coordinates: [ 0.119647740000000, 0.969717900000000, 0.780656150000000 ] mass: 126.904470 reduced_to: 141 - symbol: I # 144 coordinates: [ 0.619647740000000, 0.969717900000000, 0.780656150000000 ] mass: 126.904470 reduced_to: 141displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0317022400000000, 0.0009667600000000, 0.0014602100000000 ] - [ 0.0017237500000000, 0.0009737100000000, -0.0000203000000000 ] - [ -0.0008577400000000, 0.0009736100000000, 0.0000352600000000 ] - [ 0.0005263400000000, 0.0009739400000000, 0.0001371900000000 ] - [ -0.0007364700000000, -0.0009146400000000, -0.0000484300000000 ] - [ 0.0004511000000000, -0.0008553000000000, -0.0000693900000000 ] - [ -0.0007375400000000, -0.0010332200000000, -0.0000479100000000 ] - [ 0.0004519600000000, -0.0010923800000000, -0.0000695100000000 ] - [ 0.0000145800000000, 0.0009767900000000, 0.0000187800000000 ] - [ 0.0000143300000000, 0.0009718200000000, 0.0000185400000000 ] - [ 0.0000021800000000, 0.0009745200000000, -0.0000080600000000 ] - [ 0.0000024200000000, 0.0009741000000000, -0.0000084000000000 ] - [ 0.0000842500000000, -0.0012529600000000, -0.0001779000000000 ] - [ 0.0000838800000000, -0.0007944700000000, 0.0001085600000000 ] - [ 0.0000840100000000, -0.0011540200000000, 0.0001089200000000 ] - [ 0.0000840600000000, -0.0006950800000000, -0.0001776400000000 ] - [ -0.0004065700000000, 0.0012242500000000, 0.0001839800000000 ] - [ 0.0002070500000000, 0.0012216800000000, -0.0000443600000000 ] - [ -0.0001280500000000, 0.0012248500000000, -0.0000082900000000 ] - [ 0.0001060400000000, 0.0012223600000000, -0.0000186500000000 ] - [ -0.0032057400000000, 0.0019701600000000, -0.0007909700000000 ] - [ 0.0008396300000000, 0.0006774800000000, -0.0000021100000000 ] - [ -0.0032057900000000, -0.0005371100000000, -0.0007944000000000 ] - [ 0.0008394000000000, 0.0007499600000000, -0.0000002500000000 ] - [ -0.0004273600000000, -0.0007164900000000, 0.0002019900000000 ] - [ 0.0002345900000000, -0.0007156000000000, -0.0000684000000000 ] - [ -0.0001252400000000, -0.0007152900000000, 0.0000195000000000 ] - [ 0.0001043000000000, -0.0007164200000000, -0.0000459400000000 ] - [ -0.0000764300000000, -0.0012235000000000, 0.0000072300000000 ] - [ 0.0000625700000000, -0.0012275000000000, -0.0000159200000000 ] - [ -0.0000760000000000, -0.0012235400000000, 0.0000069700000000 ] - [ 0.0000629400000000, -0.0012141000000000, -0.0000164900000000 ] - [ 0.0011709500000000, -0.0022488800000000, 0.0007737500000000 ] - [ 0.0011721400000000, 0.0008147000000000, 0.0007775200000000 ] - [ 0.0001716800000000, -0.0008461500000000, -0.0000395600000000 ] - [ 0.0001723000000000, -0.0005874700000000, -0.0000399000000000 ] - [ 0.0000018100000000, 0.0007496200000000, -0.0000283200000000 ] - [ 0.0000166800000000, 0.0006907500000000, 0.0000204400000000 ] - [ 0.0000161800000000, 0.0007399400000000, 0.0000207800000000 ] - [ 0.0000019600000000, 0.0006821300000000, -0.0000284100000000 ] - [ 0.0011394600000000, 0.0028659200000000, 0.0008033200000000 ] - [ 0.0011407700000000, -0.0004182600000000, 0.0008071300000000 ] - [ 0.0001566300000000, 0.0014466200000000, -0.0000788400000000 ] - [ 0.0001575300000000, 0.0009996300000000, -0.0000792400000000 ] - [ 0.0011665700000000, -0.0013458500000000, -0.0018843300000000 ] - [ 0.0011894500000000, -0.0024118000000000, 0.0010585700000000 ] - [ 0.0011870700000000, -0.0000355200000000, 0.0010616800000000 ] - [ 0.0011676000000000, -0.0010952700000000, -0.0018844000000000 ] - [ 0.0009268900000000, -0.0011706800000000, 0.0006384100000000 ] - [ 0.0010611400000000, -0.0012788700000000, 0.0006567400000000 ] - [ 0.0009503700000000, -0.0011873100000000, 0.0006379500000000 ] - [ 0.0010515000000000, -0.0012775000000000, 0.0006888100000000 ] - [ 0.0009677100000000, 0.0012296100000000, 0.0006463000000000 ] - [ 0.0010256700000000, 0.0011967900000000, 0.0006613100000000 ] - [ 0.0009800000000000, 0.0012270900000000, 0.0006588000000000 ] - [ 0.0010158000000000, 0.0012245700000000, 0.0006659600000000 ] - [ -0.0011061600000000, 0.0000982600000000, -0.0013246000000000 ] - [ -0.0004796700000000, -0.0001773400000000, -0.0019300900000000 ] - [ -0.0008427600000000, 0.0000405900000000, -0.0015612500000000 ] - [ -0.0007389400000000, -0.0000332200000000, -0.0014328700000000 ] - [ -0.0007720900000000, -0.0000440900000000, -0.0015855700000000 ] - [ -0.0007510700000000, 0.0000037800000000, -0.0015974300000000 ] - [ -0.0007693800000000, -0.0000388700000000, -0.0015739000000000 ] - [ -0.0007544900000000, -0.0000289000000000, -0.0015916000000000 ] - [ 0.0010364400000000, 0.0003896400000000, 0.0003426500000000 ] - [ 0.0072149400000000, 0.0006511700000000, 0.0073339100000000 ] - [ 0.0012153700000000, 0.0002432200000000, 0.0000759300000000 ] - [ 0.0023108100000000, -0.0002171600000000, 0.0007384600000000 ] - [ 0.0013583600000000, -0.0003111300000000, 0.0001736600000000 ] - [ 0.0020585800000000, 0.0005558200000000, 0.0003517600000000 ] - [ 0.0015713000000000, -0.0001101800000000, 0.0002958400000000 ] - [ 0.0018006900000000, 0.0000994900000000, 0.0003596500000000 ] - [ -0.0018795000000000, 0.0002381000000000, 0.0002410300000000 ] - [ -0.0014585600000000, -0.0005141700000000, 0.0002958500000000 ] - [ -0.0017534400000000, 0.0000526200000000, 0.0003533300000000 ] - [ -0.0016145500000000, -0.0001000900000000, 0.0003061500000000 ] - [ -0.0016891200000000, 0.0000040200000000, 0.0003135600000000 ] - [ -0.0016629900000000, 0.0000224400000000, 0.0003015400000000 ] - [ -0.0016852800000000, 0.0000073900000000, 0.0003107600000000 ] - [ -0.0016695300000000, 0.0000193700000000, 0.0003136800000000 ] - [ 0.0001584700000000, -0.0001332400000000, -0.0019260200000000 ] - [ 0.0060332000000000, 0.0056157000000000, -0.0046337200000000 ] - [ 0.0006317300000000, -0.0000810400000000, -0.0015959400000000 ] - [ 0.0008810800000000, -0.0001483000000000, -0.0017667100000000 ] - [ 0.0007133300000000, 0.0000199000000000, -0.0015997200000000 ] - [ 0.0008168200000000, 0.0000480400000000, -0.0015987900000000 ] - [ 0.0007091900000000, 0.0000643800000000, -0.0015793300000000 ] - [ 0.0008116300000000, 0.0000179900000000, -0.0015787700000000 ] - [ -0.0015375700000000, 0.0011793400000000, 0.0005880800000000 ] - [ 0.0031124400000000, -0.0051692900000000, -0.0035247900000000 ] - [ -0.0012165000000000, 0.0012397700000000, 0.0009227000000000 ] - [ -0.0008991200000000, 0.0013386000000000, 0.0003267300000000 ] - [ -0.0016047700000000, -0.0016147400000000, 0.0009181100000000 ] - [ -0.0006380200000000, -0.0005966600000000, 0.0002277900000000 ] - [ -0.0012022100000000, -0.0014558900000000, 0.0005687800000000 ] - [ -0.0009293900000000, -0.0009270800000000, 0.0010187400000000 ] - [ 0.0010606600000000, -0.0015249100000000, -0.0002974000000000 ] - [ 0.0007880300000000, -0.0009971900000000, -0.0007463500000000 ] - [ 0.0013523500000000, -0.0018591200000000, -0.0010893100000000 ] - [ 0.0003826800000000, -0.0008368200000000, -0.0003976000000000 ] - [ 0.0051650000000000, 0.0077737600000000, -0.0049390600000000 ] - [ 0.0004536800000000, 0.0012705400000000, -0.0007274600000000 ] - [ 0.0010920600000000, 0.0011139600000000, -0.0009910600000000 ] - [ 0.0007737200000000, 0.0012134900000000, -0.0003935200000000 ] - [ 0.0045681900000000, -0.0058221400000000, -0.0015394300000000 ] - [ -0.0013604000000000, 0.0000671200000000, 0.0012506600000000 ] - [ -0.0006409100000000, 0.0000806700000000, 0.0014055600000000 ] - [ -0.0008891900000000, 0.0000138300000000, 0.0015769100000000 ] - [ -0.0007081700000000, 0.0000503900000000, 0.0015953300000000 ] - [ -0.0008113800000000, 0.0000040300000000, 0.0015934900000000 ] - [ -0.0007035700000000, 0.0000202800000000, 0.0015744400000000 ] - [ -0.0008069300000000, 0.0000483800000000, 0.0015736000000000 ] - [ 0.0016845300000000, 0.0000056900000000, -0.0003039600000000 ] - [ 0.0016676300000000, 0.0000187800000000, -0.0003071300000000 ] - [ 0.0016910700000000, 0.0000026600000000, -0.0003170100000000 ] - [ 0.0016644400000000, 0.0000220700000000, -0.0003040700000000 ] - [ 0.0018956000000000, 0.0004903600000000, -0.0003217700000000 ] - [ 0.0014757200000000, -0.0002609600000000, -0.0003777800000000 ] - [ 0.0017385900000000, 0.0000750700000000, -0.0003131600000000 ] - [ 0.0015986100000000, -0.0000790600000000, -0.0002651600000000 ] - [ -0.0010444000000000, 0.0002414000000000, 0.0001210300000000 ] - [ -0.0021377000000000, -0.0002164000000000, -0.0005422800000000 ] - [ 0.0039152300000000, -0.0006400500000000, 0.0068818400000000 ] - [ -0.0023169500000000, -0.0003633800000000, -0.0002793600000000 ] - [ -0.0012953000000000, -0.0005804800000000, -0.0002669500000000 ] - [ -0.0019956800000000, 0.0002858400000000, -0.0004451400000000 ] - [ -0.0015529700000000, -0.0001246800000000, -0.0002595600000000 ] - [ -0.0017831800000000, 0.0000855600000000, -0.0003226500000000 ] - [ 0.0007797200000000, 0.0001028500000000, 0.0017408600000000 ] - [ 0.0006773900000000, 0.0000279300000000, 0.0016123600000000 ] - [ 0.0010400900000000, 0.0002468400000000, 0.0012415000000000 ] - [ 0.0004141000000000, -0.0000297100000000, 0.0018470100000000 ] - [ 0.0007699900000000, -0.0000717200000000, 0.0015749300000000 ] - [ 0.0007488100000000, -0.0000237200000000, 0.0015869100000000 ] - [ 0.0007668300000000, -0.0000388700000000, 0.0015803800000000 ] - [ 0.0007515500000000, -0.0000295000000000, 0.0015987500000000 ] - [ -0.0009389200000000, -0.0011759800000000, -0.0006261900000000 ] - [ -0.0010420100000000, -0.0012670700000000, -0.0006772800000000 ] - [ -0.0009296000000000, -0.0011734800000000, -0.0006588700000000 ] - [ -0.0010643800000000, -0.0012840300000000, -0.0006753300000000 ] - [ -0.0009649900000000, 0.0012553700000000, -0.0006551100000000 ] - [ -0.0010238100000000, 0.0012220700000000, -0.0006717700000000 ] - [ -0.0009745300000000, 0.0012278700000000, -0.0006507000000000 ] - [ -0.0010126900000000, 0.0012260300000000, -0.0006589900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0351466900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005720200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000878100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001214900000000, 0.0000000000000000 ] - [ 0.0000605100000000, -0.0001825600000000, -0.0006399400000000 ] - [ 0.0001178300000000, -0.0006231200000000, -0.0003661500000000 ] - [ -0.0000605100000000, -0.0001825600000000, 0.0006399400000000 ] - [ -0.0001178300000000, -0.0006231200000000, 0.0003661500000000 ] - [ -0.0000027200000000, 0.0015947800000000, 0.0000008800000000 ] - [ 0.0000027200000000, 0.0015947800000000, -0.0000008800000000 ] - [ 0.0000003200000000, 0.0014705200000000, 0.0000004300000000 ] - [ -0.0000003200000000, 0.0014705200000000, -0.0000004300000000 ] - [ -0.0001795000000000, -0.0004313800000000, 0.0003563800000000 ] - [ 0.0002784300000000, -0.0004317100000000, 0.0003814800000000 ] - [ -0.0002784300000000, -0.0004317100000000, -0.0003814800000000 ] - [ 0.0001795000000000, -0.0004313800000000, -0.0003563800000000 ] - [ 0.0000000000000000, 0.0020389500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017880700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015907500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015328800000000, 0.0000000000000000 ] - [ 0.0012693000000000, 0.0002793500000000, 0.0030873000000000 ] - [ 0.0000025800000000, 0.0000224800000000, 0.0003326600000000 ] - [ -0.0012693000000000, 0.0002793500000000, -0.0030873000000000 ] - [ -0.0000025800000000, 0.0000224800000000, -0.0003326600000000 ] - [ 0.0000000000000000, 0.0000682600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001685500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003584300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004058600000000, 0.0000000000000000 ] - [ -0.0000011700000000, -0.0006956700000000, 0.0000689600000000 ] - [ -0.0000029800000000, -0.0007348500000000, 0.0000385400000000 ] - [ 0.0000011700000000, -0.0006956700000000, -0.0000689600000000 ] - [ 0.0000029800000000, -0.0007348500000000, -0.0000385400000000 ] - [ -0.0018338800000000, 0.0008928400000000, -0.0009418400000000 ] - [ 0.0018338800000000, 0.0008928400000000, 0.0009418400000000 ] - [ -0.0002322600000000, -0.0008524400000000, 0.0001073800000000 ] - [ 0.0002322600000000, -0.0008524400000000, -0.0001073800000000 ] - [ 0.0000313800000000, 0.0011943100000000, -0.0000725100000000 ] - [ -0.0000586100000000, 0.0012040800000000, -0.0000799100000000 ] - [ 0.0000586100000000, 0.0012040800000000, 0.0000799100000000 ] - [ -0.0000313800000000, 0.0011943100000000, 0.0000725100000000 ] - [ 0.0015915100000000, 0.0027526600000000, 0.0008514400000000 ] - [ -0.0015915100000000, 0.0027526600000000, -0.0008514400000000 ] - [ 0.0001323500000000, 0.0010861300000000, -0.0001854600000000 ] - [ -0.0001323500000000, 0.0010861300000000, 0.0001854600000000 ] - [ 0.0013452700000000, -0.0027259700000000, -0.0023007000000000 ] - [ 0.0000354800000000, -0.0028111300000000, -0.0004582600000000 ] - [ -0.0000354800000000, -0.0028111300000000, 0.0004582600000000 ] - [ -0.0013452700000000, -0.0027259700000000, 0.0023007000000000 ] - [ 0.0010854000000000, -0.0014863800000000, 0.0006155200000000 ] - [ 0.0010504200000000, -0.0015181100000000, 0.0005664300000000 ] - [ 0.0011197800000000, -0.0014648800000000, 0.0007122400000000 ] - [ 0.0010851400000000, -0.0014552500000000, 0.0006936900000000 ] - [ 0.0008861800000000, 0.0009655000000000, 0.0006838500000000 ] - [ 0.0008641900000000, 0.0008926600000000, 0.0007045400000000 ] - [ 0.0008993200000000, 0.0010264000000000, 0.0006565800000000 ] - [ 0.0008922800000000, 0.0010128400000000, 0.0006521700000000 ] - [ -0.0003203500000000, 0.0000062800000000, -0.0019965900000000 ] - [ -0.0011324500000000, -0.0003557600000000, -0.0020126400000000 ] - [ -0.0007083300000000, 0.0001494400000000, -0.0015171300000000 ] - [ -0.0010182300000000, -0.0001001800000000, -0.0011417400000000 ] - [ -0.0006545200000000, -0.0003025800000000, -0.0015946600000000 ] - [ -0.0006014600000000, -0.0003748200000000, -0.0016225500000000 ] - [ -0.0006954700000000, -0.0002376800000000, -0.0015676500000000 ] - [ -0.0006744500000000, -0.0002538000000000, -0.0015735800000000 ] - [ 0.0013017100000000, 0.0008434600000000, 0.0002621300000000 ] - [ 0.0018998600000000, 0.0014416700000000, 0.0019705900000000 ] - [ 0.0015364900000000, 0.0004125200000000, 0.0003605800000000 ] - [ 0.0011745000000000, 0.0010437800000000, 0.0004044600000000 ] - [ 0.0014015200000000, -0.0003622400000000, 0.0001902400000000 ] - [ 0.0014524500000000, -0.0006049100000000, 0.0002627500000000 ] - [ 0.0016546000000000, -0.0000954600000000, 0.0003743200000000 ] - [ 0.0017053500000000, -0.0000952300000000, 0.0004102900000000 ] - [ -0.0014258200000000, -0.0003894900000000, 0.0003849200000000 ] - [ -0.0015589500000000, -0.0005781000000000, 0.0004021600000000 ] - [ -0.0015788000000000, -0.0001117700000000, 0.0002198400000000 ] - [ -0.0016445300000000, -0.0001239900000000, 0.0002536400000000 ] - [ -0.0018115100000000, -0.0002554100000000, 0.0003058500000000 ] - [ -0.0018151000000000, -0.0002756000000000, 0.0003062500000000 ] - [ -0.0018049500000000, -0.0002374800000000, 0.0002992800000000 ] - [ -0.0018095400000000, -0.0002523000000000, 0.0003006300000000 ] - [ 0.0013298300000000, 0.0004944000000000, -0.0012993800000000 ] - [ 0.0069186900000000, 0.0073689800000000, -0.0062952200000000 ] - [ 0.0009115500000000, 0.0002436900000000, -0.0016379800000000 ] - [ 0.0006926400000000, 0.0002170200000000, -0.0018840900000000 ] - [ 0.0008609500000000, -0.0001817700000000, -0.0015305900000000 ] - [ 0.0009443900000000, -0.0002745100000000, -0.0014921500000000 ] - [ 0.0008513200000000, -0.0001660700000000, -0.0016389800000000 ] - [ 0.0008885900000000, -0.0002299900000000, -0.0016574000000000 ] - [ -0.0013994300000000, 0.0018464400000000, 0.0003448500000000 ] - [ -0.0069630000000000, 0.0096432800000000, 0.0057341700000000 ] - [ -0.0012679100000000, 0.0015022500000000, 0.0009572600000000 ] - [ -0.0011238800000000, 0.0016333000000000, 0.0006853600000000 ] - [ -0.0016657500000000, -0.0015531200000000, 0.0010875800000000 ] - [ -0.0006377200000000, -0.0013719700000000, 0.0014051900000000 ] - [ -0.0009339100000000, -0.0010637200000000, 0.0005874900000000 ] - [ -0.0008410700000000, -0.0012680100000000, 0.0001298600000000 ] - [ 0.0008410700000000, -0.0012680100000000, -0.0001298600000000 ] - [ 0.0009339100000000, -0.0010637200000000, -0.0005874900000000 ] - [ 0.0006377200000000, -0.0013719700000000, -0.0014051900000000 ] - [ 0.0016657500000000, -0.0015531200000000, -0.0010875800000000 ] - [ 0.0069630000000000, 0.0096432800000000, -0.0057341700000000 ] - [ 0.0013994300000000, 0.0018464400000000, -0.0003448500000000 ] - [ 0.0011238800000000, 0.0016333000000000, -0.0006853600000000 ] - [ 0.0012679100000000, 0.0015022500000000, -0.0009572600000000 ] - [ -0.0069186900000000, 0.0073689800000000, 0.0062952200000000 ] - [ -0.0013298300000000, 0.0004944000000000, 0.0012993800000000 ] - [ -0.0006926400000000, 0.0002170200000000, 0.0018840900000000 ] - [ -0.0009115500000000, 0.0002436900000000, 0.0016379800000000 ] - [ -0.0008885900000000, -0.0002299900000000, 0.0016574000000000 ] - [ -0.0008513200000000, -0.0001660700000000, 0.0016389800000000 ] - [ -0.0009443900000000, -0.0002745100000000, 0.0014921500000000 ] - [ -0.0008609500000000, -0.0001817700000000, 0.0015305900000000 ] - [ 0.0018095400000000, -0.0002523000000000, -0.0003006300000000 ] - [ 0.0018049500000000, -0.0002374800000000, -0.0002992800000000 ] - [ 0.0018151000000000, -0.0002756000000000, -0.0003062500000000 ] - [ 0.0018115100000000, -0.0002554100000000, -0.0003058500000000 ] - [ 0.0015589500000000, -0.0005781000000000, -0.0004021600000000 ] - [ 0.0014258200000000, -0.0003894900000000, -0.0003849200000000 ] - [ 0.0016445300000000, -0.0001239900000000, -0.0002536400000000 ] - [ 0.0015788000000000, -0.0001117700000000, -0.0002198400000000 ] - [ -0.0011745000000000, 0.0010437800000000, -0.0004044600000000 ] - [ -0.0015364900000000, 0.0004125200000000, -0.0003605800000000 ] - [ -0.0018998600000000, 0.0014416700000000, -0.0019705900000000 ] - [ -0.0013017100000000, 0.0008434600000000, -0.0002621300000000 ] - [ -0.0014524500000000, -0.0006049100000000, -0.0002627500000000 ] - [ -0.0014015200000000, -0.0003622400000000, -0.0001902400000000 ] - [ -0.0017053500000000, -0.0000952300000000, -0.0004102900000000 ] - [ -0.0016546000000000, -0.0000954600000000, -0.0003743200000000 ] - [ 0.0010182300000000, -0.0001001800000000, 0.0011417400000000 ] - [ 0.0007083300000000, 0.0001494400000000, 0.0015171300000000 ] - [ 0.0011324500000000, -0.0003557600000000, 0.0020126400000000 ] - [ 0.0003203500000000, 0.0000062800000000, 0.0019965900000000 ] - [ 0.0006014600000000, -0.0003748200000000, 0.0016225500000000 ] - [ 0.0006545200000000, -0.0003025800000000, 0.0015946600000000 ] - [ 0.0006744500000000, -0.0002538000000000, 0.0015735800000000 ] - [ 0.0006954700000000, -0.0002376800000000, 0.0015676500000000 ] - [ -0.0010851400000000, -0.0014552500000000, -0.0006936900000000 ] - [ -0.0011197800000000, -0.0014648800000000, -0.0007122400000000 ] - [ -0.0010504200000000, -0.0015181100000000, -0.0005664300000000 ] - [ -0.0010854000000000, -0.0014863800000000, -0.0006155200000000 ] - [ -0.0008641900000000, 0.0008926600000000, -0.0007045400000000 ] - [ -0.0008861800000000, 0.0009655000000000, -0.0006838500000000 ] - [ -0.0008922800000000, 0.0010128400000000, -0.0006521700000000 ] - [ -0.0008993200000000, 0.0010264000000000, -0.0006565800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0370687400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0025089700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018496500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018137700000000, 0.0000000000000000 ] - [ -0.0000580600000000, -0.0017526300000000, 0.0006379000000000 ] - [ -0.0001187700000000, -0.0013146000000000, 0.0003657300000000 ] - [ 0.0000580600000000, -0.0017526300000000, -0.0006379000000000 ] - [ 0.0001187700000000, -0.0013146000000000, -0.0003657300000000 ] - [ 0.0000022400000000, 0.0003435500000000, -0.0000011600000000 ] - [ -0.0000022400000000, 0.0003435500000000, 0.0000011600000000 ] - [ 0.0000006800000000, 0.0004675900000000, -0.0000010800000000 ] - [ -0.0000006800000000, 0.0004675900000000, 0.0000010800000000 ] - [ 0.0001799500000000, -0.0015051100000000, -0.0003565200000000 ] - [ -0.0002800600000000, -0.0015060800000000, -0.0003820900000000 ] - [ 0.0002800600000000, -0.0015060800000000, 0.0003820900000000 ] - [ -0.0001799500000000, -0.0015051100000000, 0.0003565200000000 ] - [ 0.0000000000000000, 0.0004160300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006650300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008602700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009106200000000, 0.0000000000000000 ] - [ -0.0012754100000000, 0.0011465500000000, -0.0031031900000000 ] - [ -0.0000014100000000, 0.0013988900000000, -0.0003375400000000 ] - [ 0.0012754100000000, 0.0011465500000000, 0.0031031900000000 ] - [ 0.0000014100000000, 0.0013988900000000, 0.0003375400000000 ] - [ 0.0000000000000000, -0.0014899400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012540900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010706600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010195200000000, 0.0000000000000000 ] - [ 0.0000058600000000, -0.0017565500000000, -0.0000718500000000 ] - [ 0.0000044000000000, -0.0017134700000000, -0.0000423100000000 ] - [ -0.0000058600000000, -0.0017565500000000, 0.0000718500000000 ] - [ -0.0000044000000000, -0.0017134700000000, 0.0000423100000000 ] - [ 0.0018373400000000, -0.0023190200000000, 0.0009378900000000 ] - [ -0.0018373400000000, -0.0023190200000000, -0.0009378900000000 ] - [ 0.0002311900000000, -0.0005631700000000, -0.0001093900000000 ] - [ -0.0002311900000000, -0.0005631700000000, 0.0001093900000000 ] - [ -0.0000314800000000, 0.0002308000000000, 0.0000694300000000 ] - [ 0.0000568200000000, 0.0002179000000000, 0.0000747800000000 ] - [ -0.0000568200000000, 0.0002179000000000, -0.0000747800000000 ] - [ 0.0000314800000000, 0.0002308000000000, -0.0000694300000000 ] - [ -0.0015882900000000, -0.0002925300000000, -0.0008528100000000 ] - [ 0.0015882900000000, -0.0002925300000000, 0.0008528100000000 ] - [ -0.0001306100000000, 0.0013716300000000, 0.0001824700000000 ] - [ 0.0001306100000000, 0.0013716300000000, -0.0001824700000000 ] - [ -0.0013432100000000, 0.0002706400000000, 0.0023005500000000 ] - [ -0.0000334900000000, 0.0003332500000000, 0.0004565200000000 ] - [ 0.0000334900000000, 0.0003332500000000, -0.0004565200000000 ] - [ 0.0013432100000000, 0.0002706400000000, -0.0023005500000000 ] - [ 0.0008934000000000, -0.0009779100000000, 0.0007064400000000 ] - [ 0.0009275100000000, -0.0009462900000000, 0.0007551200000000 ] - [ 0.0008620700000000, -0.0009989300000000, 0.0006088000000000 ] - [ 0.0008953800000000, -0.0010090200000000, 0.0006270400000000 ] - [ 0.0010926600000000, 0.0014984500000000, 0.0006371000000000 ] - [ 0.0011143300000000, 0.0015704800000000, 0.0006163100000000 ] - [ 0.0010814200000000, 0.0014385400000000, 0.0006646800000000 ] - [ 0.0010869500000000, 0.0014521700000000, 0.0006685800000000 ] - [ -0.0012028100000000, 0.0000702000000000, -0.0011727300000000 ] - [ -0.0003899300000000, 0.0004352800000000, -0.0011539100000000 ] - [ -0.0008184100000000, -0.0000725500000000, -0.0016526900000000 ] - [ -0.0005069600000000, 0.0001764900000000, -0.0020283400000000 ] - [ -0.0008706700000000, 0.0002268700000000, -0.0015730700000000 ] - [ -0.0009244700000000, 0.0002994100000000, -0.0015462400000000 ] - [ -0.0008302100000000, 0.0001612200000000, -0.0016013700000000 ] - [ -0.0008511900000000, 0.0001788900000000, -0.0015931900000000 ] - [ 0.0020516600000000, -0.0008190300000000, 0.0003491600000000 ] - [ 0.0014850900000000, -0.0013934900000000, -0.0013159000000000 ] - [ 0.0018200000000000, -0.0003887400000000, 0.0002495700000000 ] - [ 0.0021780400000000, -0.0010194700000000, 0.0002037300000000 ] - [ 0.0019511200000000, 0.0003374800000000, 0.0004186600000000 ] - [ 0.0019001800000000, 0.0005784400000000, 0.0003468100000000 ] - [ 0.0017005400000000, 0.0000711200000000, 0.0002349200000000 ] - [ 0.0016474800000000, 0.0000699500000000, 0.0002004700000000 ] - [ -0.0019283800000000, 0.0003649400000000, 0.0002254400000000 ] - [ -0.0017960100000000, 0.0005548100000000, 0.0002084000000000 ] - [ -0.0017740800000000, 0.0000869700000000, 0.0003903500000000 ] - [ -0.0017087300000000, 0.0000994300000000, 0.0003565100000000 ] - [ -0.0015429700000000, 0.0002806600000000, 0.0003052100000000 ] - [ -0.0015376000000000, 0.0002995500000000, 0.0003038500000000 ] - [ -0.0015491800000000, 0.0002619700000000, 0.0003098900000000 ] - [ -0.0015442000000000, 0.0002772800000000, 0.0003087200000000 ] - [ 0.0001954800000000, -0.0005695400000000, -0.0018702300000000 ] - [ -0.0055976400000000, -0.0076471600000000, 0.0032881000000000 ] - [ 0.0006147000000000, -0.0003193900000000, -0.0015308400000000 ] - [ 0.0008339900000000, -0.0002947500000000, -0.0012840200000000 ] - [ 0.0006636400000000, 0.0002574100000000, -0.0016385000000000 ] - [ 0.0005804000000000, 0.0003494300000000, -0.0016770700000000 ] - [ 0.0006744800000000, 0.0002425800000000, -0.0015295100000000 ] - [ 0.0006362200000000, 0.0003055100000000, -0.0015129300000000 ] - [ -0.0005788300000000, 0.0006202200000000, 0.0009739700000000 ] - [ 0.0047736400000000, -0.0069915700000000, -0.0042452300000000 ] - [ -0.0007111100000000, 0.0009635900000000, 0.0003639900000000 ] - [ -0.0008579000000000, 0.0008340300000000, 0.0006344800000000 ] - [ -0.0003089200000000, -0.0009100800000000, 0.0002345000000000 ] - [ -0.0013374000000000, -0.0010973300000000, -0.0000768300000000 ] - [ -0.0010435700000000, -0.0013991500000000, 0.0007340900000000 ] - [ -0.0011369100000000, -0.0011960600000000, 0.0011915700000000 ] - [ 0.0011369100000000, -0.0011960600000000, -0.0011915700000000 ] - [ 0.0010435700000000, -0.0013991500000000, -0.0007340900000000 ] - [ 0.0013374000000000, -0.0010973300000000, 0.0000768300000000 ] - [ 0.0003089200000000, -0.0009100800000000, -0.0002345000000000 ] - [ -0.0047736400000000, -0.0069915700000000, 0.0042452300000000 ] - [ 0.0005788300000000, 0.0006202200000000, -0.0009739700000000 ] - [ 0.0008579000000000, 0.0008340300000000, -0.0006344800000000 ] - [ 0.0007111100000000, 0.0009635900000000, -0.0003639900000000 ] - [ 0.0055976400000000, -0.0076471600000000, -0.0032881000000000 ] - [ -0.0001954800000000, -0.0005695400000000, 0.0018702300000000 ] - [ -0.0008339900000000, -0.0002947500000000, 0.0012840200000000 ] - [ -0.0006147000000000, -0.0003193900000000, 0.0015308400000000 ] - [ -0.0006362200000000, 0.0003055100000000, 0.0015129300000000 ] - [ -0.0006744800000000, 0.0002425800000000, 0.0015295100000000 ] - [ -0.0005804000000000, 0.0003494300000000, 0.0016770700000000 ] - [ -0.0006636400000000, 0.0002574100000000, 0.0016385000000000 ] - [ 0.0015442000000000, 0.0002772800000000, -0.0003087200000000 ] - [ 0.0015491800000000, 0.0002619700000000, -0.0003098900000000 ] - [ 0.0015376000000000, 0.0002995500000000, -0.0003038500000000 ] - [ 0.0015429700000000, 0.0002806600000000, -0.0003052100000000 ] - [ 0.0017960100000000, 0.0005548100000000, -0.0002084000000000 ] - [ 0.0019283800000000, 0.0003649400000000, -0.0002254400000000 ] - [ 0.0017087300000000, 0.0000994300000000, -0.0003565100000000 ] - [ 0.0017740800000000, 0.0000869700000000, -0.0003903500000000 ] - [ -0.0021780400000000, -0.0010194700000000, -0.0002037300000000 ] - [ -0.0018200000000000, -0.0003887400000000, -0.0002495700000000 ] - [ -0.0014850900000000, -0.0013934900000000, 0.0013159000000000 ] - [ -0.0020516600000000, -0.0008190300000000, -0.0003491600000000 ] - [ -0.0019001800000000, 0.0005784400000000, -0.0003468100000000 ] - [ -0.0019511200000000, 0.0003374800000000, -0.0004186600000000 ] - [ -0.0016474800000000, 0.0000699500000000, -0.0002004700000000 ] - [ -0.0017005400000000, 0.0000711200000000, -0.0002349200000000 ] - [ 0.0005069600000000, 0.0001764900000000, 0.0020283400000000 ] - [ 0.0008184100000000, -0.0000725500000000, 0.0016526900000000 ] - [ 0.0003899300000000, 0.0004352800000000, 0.0011539100000000 ] - [ 0.0012028100000000, 0.0000702000000000, 0.0011727300000000 ] - [ 0.0009244700000000, 0.0002994100000000, 0.0015462400000000 ] - [ 0.0008706700000000, 0.0002268700000000, 0.0015730700000000 ] - [ 0.0008511900000000, 0.0001788900000000, 0.0015931900000000 ] - [ 0.0008302100000000, 0.0001612200000000, 0.0016013700000000 ] - [ -0.0008953800000000, -0.0010090200000000, -0.0006270400000000 ] - [ -0.0008620700000000, -0.0009989300000000, -0.0006088000000000 ] - [ -0.0009275100000000, -0.0009462900000000, -0.0007551200000000 ] - [ -0.0008934000000000, -0.0009779100000000, -0.0007064400000000 ] - [ -0.0011143300000000, 0.0015704800000000, -0.0006163100000000 ] - [ -0.0010926600000000, 0.0014984500000000, -0.0006371000000000 ] - [ -0.0010869500000000, 0.0014521700000000, -0.0006685800000000 ] - [ -0.0010814200000000, 0.0014385400000000, -0.0006646800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0014583100000000, 0.0010186900000000, -0.0400902500000000 ] - [ -0.0000201500000000, 0.0009682200000000, -0.0011802500000000 ] - [ 0.0000351800000000, 0.0009692500000000, 0.0021192100000000 ] - [ 0.0001372500000000, 0.0009683700000000, 0.0010568500000000 ] - [ -0.0000473900000000, -0.0016066300000000, 0.0002915600000000 ] - [ -0.0000697000000000, -0.0013335400000000, 0.0000531900000000 ] - [ -0.0000488700000000, -0.0003288800000000, 0.0002908500000000 ] - [ -0.0000689600000000, -0.0006024100000000, 0.0000518600000000 ] - [ -0.0000184800000000, 0.0009695200000000, -0.0000839100000000 ] - [ -0.0000185000000000, 0.0009669600000000, -0.0000836500000000 ] - [ 0.0000081900000000, 0.0009687700000000, 0.0000722200000000 ] - [ 0.0000083000000000, 0.0009675600000000, 0.0000723700000000 ] - [ -0.0001086600000000, -0.0005857500000000, 0.0001073000000000 ] - [ 0.0001777400000000, -0.0006119500000000, 0.0001077600000000 ] - [ 0.0001780400000000, -0.0013245200000000, 0.0001067800000000 ] - [ -0.0001087800000000, -0.0013497700000000, 0.0001066400000000 ] - [ 0.0002479900000000, 0.0012316600000000, -0.0003210000000000 ] - [ -0.0000306400000000, 0.0012318300000000, -0.0001132900000000 ] - [ -0.0000299300000000, 0.0012316800000000, 0.0001687500000000 ] - [ -0.0000336200000000, 0.0012316100000000, 0.0001337900000000 ] - [ -0.0007569000000000, 0.0038330400000000, 0.0030212100000000 ] - [ -0.0000218500000000, 0.0010672700000000, 0.0001066400000000 ] - [ -0.0007615700000000, -0.0024254000000000, 0.0030376000000000 ] - [ -0.0000215600000000, 0.0003604700000000, 0.0001053300000000 ] - [ 0.0002125700000000, -0.0007156500000000, -0.0003200100000000 ] - [ -0.0000158800000000, -0.0007145900000000, -0.0001223200000000 ] - [ -0.0000311900000000, -0.0007143000000000, 0.0001807500000000 ] - [ -0.0000174000000000, -0.0007150500000000, 0.0001327000000000 ] - [ 0.0000099900000000, -0.0011954100000000, 0.0000132800000000 ] - [ -0.0000126900000000, -0.0011997300000000, 0.0000026100000000 ] - [ 0.0000111600000000, -0.0012678000000000, 0.0000129600000000 ] - [ -0.0000122600000000, -0.0012637800000000, 0.0000017000000000 ] - [ -0.0009378400000000, 0.0003229400000000, -0.0018452400000000 ] - [ -0.0009380800000000, -0.0017498000000000, -0.0018429900000000 ] - [ 0.0001275200000000, -0.0009406100000000, 0.0007427300000000 ] - [ 0.0001263400000000, -0.0004889400000000, 0.0007413600000000 ] - [ -0.0000144400000000, 0.0006587900000000, 0.0000091500000000 ] - [ 0.0000185000000000, 0.0006606600000000, 0.0000109800000000 ] - [ 0.0000181900000000, 0.0007683600000000, 0.0000100100000000 ] - [ -0.0000161100000000, 0.0007666400000000, 0.0000075500000000 ] - [ -0.0007233700000000, 0.0003010900000000, -0.0019152100000000 ] - [ -0.0007223300000000, 0.0021592900000000, -0.0019078700000000 ] - [ 0.0000522100000000, 0.0013413600000000, 0.0007415000000000 ] - [ 0.0000534500000000, 0.0011228800000000, 0.0007411200000000 ] - [ -0.0011851500000000, -0.0016673100000000, 0.0012622700000000 ] - [ 0.0020461100000000, -0.0035587000000000, 0.0012727800000000 ] - [ 0.0020524400000000, 0.0010970800000000, 0.0012773600000000 ] - [ -0.0011857800000000, -0.0007900800000000, 0.0012544100000000 ] - [ 0.0010545900000000, -0.0012913300000000, 0.0007022800000000 ] - [ 0.0010156000000000, -0.0012902500000000, 0.0007072600000000 ] - [ 0.0009381300000000, -0.0011637300000000, 0.0006069500000000 ] - [ 0.0009432400000000, -0.0011614300000000, 0.0006016000000000 ] - [ 0.0010084000000000, 0.0012315500000000, 0.0006919600000000 ] - [ 0.0009940900000000, 0.0012573000000000, 0.0006916000000000 ] - [ 0.0009811300000000, 0.0012173000000000, 0.0006268900000000 ] - [ 0.0009770000000000, 0.0012150000000000, 0.0006235000000000 ] - [ -0.0005979000000000, -0.0001590800000000, -0.0016757900000000 ] - [ -0.0014444800000000, -0.0006995000000000, -0.0010678200000000 ] - [ -0.0006981400000000, 0.0001499800000000, -0.0017231200000000 ] - [ -0.0003081900000000, 0.0004502700000000, -0.0021339700000000 ] - [ -0.0007711500000000, -0.0000440900000000, -0.0015545800000000 ] - [ -0.0007673700000000, -0.0000691000000000, -0.0015519900000000 ] - [ -0.0007511400000000, -0.0000231000000000, -0.0016227500000000 ] - [ -0.0007566900000000, -0.0000186700000000, -0.0016231100000000 ] - [ 0.0020801100000000, -0.0001732500000000, 0.0004945700000000 ] - [ 0.0087539300000000, 0.0022232500000000, 0.0107315700000000 ] - [ 0.0011028700000000, 0.0002527100000000, -0.0001857200000000 ] - [ 0.0018853700000000, -0.0001881200000000, -0.0006889200000000 ] - [ 0.0017844700000000, 0.0000250600000000, 0.0005119200000000 ] - [ 0.0015488500000000, -0.0003873300000000, 0.0005089100000000 ] - [ 0.0016571300000000, 0.0000131400000000, 0.0001854200000000 ] - [ 0.0016587100000000, 0.0000543500000000, 0.0001425800000000 ] - [ -0.0016221100000000, -0.0000980800000000, 0.0005161300000000 ] - [ -0.0018227300000000, 0.0003589100000000, 0.0004824400000000 ] - [ -0.0016288800000000, -0.0000390400000000, 0.0001684200000000 ] - [ -0.0016393500000000, -0.0000654600000000, 0.0001613900000000 ] - [ -0.0016750800000000, 0.0000198300000000, 0.0003207300000000 ] - [ -0.0016850500000000, 0.0000170000000000, 0.0003265900000000 ] - [ -0.0016720900000000, 0.0000120100000000, 0.0002995600000000 ] - [ -0.0016696900000000, 0.0000127900000000, 0.0002962700000000 ] - [ 0.0008581100000000, 0.0001195400000000, -0.0011232100000000 ] - [ -0.0019694500000000, -0.0039478900000000, 0.0024171600000000 ] - [ 0.0006788800000000, -0.0000799800000000, -0.0018845700000000 ] - [ 0.0003784000000000, -0.0002786900000000, -0.0026095900000000 ] - [ 0.0007646400000000, 0.0000929900000000, -0.0015371600000000 ] - [ 0.0007207000000000, 0.0001494000000000, -0.0015154700000000 ] - [ 0.0007843400000000, -0.0000367500000000, -0.0016450900000000 ] - [ 0.0007968600000000, -0.0000678700000000, -0.0016714500000000 ] - [ -0.0012300500000000, 0.0009365400000000, 0.0014142100000000 ] - [ -0.0047288400000000, 0.0061695600000000, 0.0042637400000000 ] - [ -0.0008320400000000, 0.0013141800000000, 0.0002180600000000 ] - [ -0.0009498800000000, 0.0015114800000000, -0.0000763300000000 ] - [ -0.0005443000000000, -0.0008204600000000, 0.0006179000000000 ] - [ -0.0012112600000000, -0.0004878800000000, 0.0011104200000000 ] - [ -0.0011674100000000, -0.0015432700000000, 0.0003525600000000 ] - [ -0.0009181000000000, -0.0014696400000000, 0.0001930700000000 ] - [ 0.0010641200000000, -0.0009802300000000, -0.0011240100000000 ] - [ 0.0008158000000000, -0.0009069400000000, -0.0009629300000000 ] - [ 0.0007697300000000, -0.0019667000000000, -0.0002049200000000 ] - [ 0.0014350600000000, -0.0016281600000000, -0.0006967300000000 ] - [ -0.0026799600000000, -0.0036399100000000, 0.0029434400000000 ] - [ 0.0007532900000000, 0.0015124500000000, 0.0000969300000000 ] - [ 0.0010314300000000, 0.0009374000000000, -0.0013923600000000 ] - [ 0.0011504200000000, 0.0011358700000000, -0.0010966300000000 ] - [ -0.0034494700000000, 0.0038139300000000, 0.0055890700000000 ] - [ -0.0006669400000000, -0.0001843500000000, 0.0020544600000000 ] - [ -0.0011485100000000, 0.0002142500000000, 0.0005676500000000 ] - [ -0.0008462500000000, 0.0000141500000000, 0.0012941700000000 ] - [ -0.0007289300000000, 0.0001340100000000, 0.0015069900000000 ] - [ -0.0007416100000000, 0.0001030700000000, 0.0015333100000000 ] - [ -0.0008050500000000, -0.0000833300000000, 0.0016632400000000 ] - [ -0.0007615200000000, -0.0000268500000000, 0.0016414800000000 ] - [ 0.0016817200000000, 0.0000179800000000, -0.0003267100000000 ] - [ 0.0016793400000000, 0.0000186000000000, -0.0003234100000000 ] - [ 0.0016664400000000, 0.0000137600000000, -0.0002961700000000 ] - [ 0.0016764700000000, 0.0000107200000000, -0.0003020000000000 ] - [ 0.0015280100000000, -0.0003900400000000, -0.0001401000000000 ] - [ 0.0017295300000000, 0.0000681400000000, -0.0001070700000000 ] - [ 0.0017124100000000, 0.0000357400000000, -0.0004614400000000 ] - [ 0.0017228100000000, 0.0000094800000000, -0.0004542900000000 ] - [ -0.0014691900000000, 0.0002180100000000, -0.0013073200000000 ] - [ -0.0022495900000000, -0.0002220800000000, -0.0008089300000000 ] - [ 0.0056976200000000, -0.0022486500000000, 0.0104846500000000 ] - [ -0.0012719400000000, 0.0002030700000000, -0.0001277100000000 ] - [ -0.0018039100000000, 0.0003585400000000, -0.0001137400000000 ] - [ -0.0015675400000000, -0.0000547100000000, -0.0001110300000000 ] - [ -0.0016929000000000, -0.0000846300000000, -0.0004802000000000 ] - [ -0.0016943400000000, -0.0000431500000000, -0.0004369500000000 ] - [ 0.0012168300000000, -0.0003826000000000, 0.0010450600000000 ] - [ 0.0008277900000000, -0.0000836400000000, 0.0014549300000000 ] - [ 0.0000802700000000, 0.0007687600000000, 0.0021114200000000 ] - [ 0.0009263200000000, 0.0002255400000000, 0.0015032600000000 ] - [ 0.0007585200000000, 0.0000033500000000, 0.0016264500000000 ] - [ 0.0007547100000000, -0.0000217000000000, 0.0016236700000000 ] - [ 0.0007691800000000, -0.0000469000000000, 0.0015554400000000 ] - [ 0.0007744600000000, -0.0000426300000000, 0.0015556300000000 ] - [ -0.0010396400000000, -0.0012881200000000, -0.0007137200000000 ] - [ -0.0010445400000000, -0.0012857700000000, -0.0007085100000000 ] - [ -0.0009673700000000, -0.0011593800000000, -0.0006081100000000 ] - [ -0.0009280300000000, -0.0011582500000000, -0.0006129000000000 ] - [ -0.0009889900000000, 0.0011926100000000, -0.0006237600000000 ] - [ -0.0009743700000000, 0.0012184500000000, -0.0006235600000000 ] - [ -0.0010058500000000, 0.0012348800000000, -0.0006918500000000 ] - [ -0.0010014900000000, 0.0012324300000000, -0.0006883700000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004087100000000, 0.0009614000000000, 0.0002486000000000 ] - [ 0.0002070100000000, 0.0009634100000000, -0.0000289800000000 ] - [ -0.0001258700000000, 0.0009659400000000, -0.0000310900000000 ] - [ 0.0001040200000000, 0.0009624600000000, -0.0000331700000000 ] - [ -0.0000786500000000, -0.0009690800000000, 0.0000108600000000 ] - [ 0.0000623600000000, -0.0009659200000000, -0.0000103100000000 ] - [ -0.0000783000000000, -0.0009537300000000, 0.0000114300000000 ] - [ 0.0000622700000000, -0.0009575700000000, -0.0000145600000000 ] - [ 0.0011369900000000, -0.0006248700000000, 0.0007186100000000 ] - [ 0.0011409000000000, 0.0025520800000000, 0.0007218300000000 ] - [ 0.0001548100000000, 0.0008319200000000, -0.0000549000000000 ] - [ 0.0001560300000000, 0.0010951800000000, -0.0000528600000000 ] - [ 0.0011851200000000, -0.0009998800000000, -0.0020489800000000 ] - [ 0.0011643100000000, -0.0023104200000000, 0.0011838300000000 ] - [ 0.0011700900000000, 0.0003761900000000, 0.0011827500000000 ] - [ 0.0011887300000000, -0.0009289600000000, -0.0020485900000000 ] - [ -0.0361194000000000, 0.0012366000000000, -0.0023427900000000 ] - [ 0.0014161100000000, 0.0012246100000000, -0.0000421600000000 ] - [ -0.0007741500000000, 0.0012224400000000, 0.0000114900000000 ] - [ 0.0005070100000000, 0.0012236100000000, 0.0001276600000000 ] - [ -0.0006604000000000, 0.0006890500000000, -0.0000434700000000 ] - [ 0.0004468200000000, 0.0008462800000000, -0.0001081200000000 ] - [ -0.0006624700000000, 0.0007372600000000, -0.0000470800000000 ] - [ 0.0004465000000000, 0.0005833800000000, -0.0001025100000000 ] - [ -0.0003321000000000, -0.0007119900000000, 0.0001649400000000 ] - [ 0.0002126700000000, -0.0007164200000000, -0.0000638900000000 ] - [ -0.0001361200000000, -0.0007136700000000, -0.0000240400000000 ] - [ 0.0001164700000000, -0.0007118800000000, -0.0000294000000000 ] - [ -0.0034367200000000, 0.0001999500000000, -0.0008368100000000 ] - [ 0.0007254500000000, -0.0012508200000000, 0.0000015000000000 ] - [ -0.0034384100000000, -0.0026517200000000, -0.0008352200000000 ] - [ 0.0007219400000000, -0.0011987900000000, 0.0000028600000000 ] - [ 0.0014144700000000, 0.0010771600000000, 0.0010100500000000 ] - [ 0.0014169800000000, -0.0025095700000000, 0.0010125900000000 ] - [ 0.0000964200000000, -0.0005424600000000, -0.0000796000000000 ] - [ 0.0000934900000000, -0.0008847800000000, -0.0000822300000000 ] - [ 0.0000816900000000, 0.0004896400000000, -0.0001115600000000 ] - [ 0.0000695800000000, 0.0008542800000000, 0.0001060100000000 ] - [ 0.0000683700000000, 0.0005777300000000, 0.0001097900000000 ] - [ 0.0000855400000000, 0.0009441800000000, -0.0001106400000000 ] - [ 0.0000149600000000, 0.0012249600000000, 0.0000164900000000 ] - [ 0.0000134400000000, 0.0012322100000000, 0.0000172000000000 ] - [ -0.0000008300000000, 0.0012243900000000, -0.0000108100000000 ] - [ 0.0000013400000000, 0.0012278900000000, -0.0000119400000000 ] - [ 0.0000085700000000, -0.0011659600000000, -0.0000196200000000 ] - [ 0.0000110900000000, -0.0012487000000000, 0.0000106300000000 ] - [ 0.0000095200000000, -0.0012065700000000, 0.0000123700000000 ] - [ 0.0000042500000000, -0.0012842000000000, -0.0000186600000000 ] - [ 0.0003527800000000, -0.0009498000000000, 0.0006248800000000 ] - [ 0.0081706500000000, -0.0001889800000000, 0.0079341700000000 ] - [ 0.0006432900000000, -0.0010759500000000, 0.0004774300000000 ] - [ 0.0015228700000000, -0.0013377900000000, 0.0009694900000000 ] - [ 0.0003922000000000, 0.0011263700000000, 0.0004326800000000 ] - [ 0.0072130900000000, 0.0061685700000000, -0.0024268100000000 ] - [ 0.0008426200000000, 0.0011872300000000, 0.0006513900000000 ] - [ 0.0012112800000000, 0.0010798200000000, 0.0004076000000000 ] - [ -0.0013387200000000, -0.0003504800000000, -0.0012863300000000 ] - [ -0.0002562000000000, 0.0005400000000000, -0.0020323400000000 ] - [ -0.0010297600000000, -0.0002792100000000, -0.0016582700000000 ] - [ -0.0006668300000000, 0.0003038900000000, -0.0013605900000000 ] - [ -0.0009762900000000, 0.0002457900000000, -0.0016882400000000 ] - [ -0.0006098500000000, -0.0003842900000000, -0.0015724200000000 ] - [ -0.0008501000000000, 0.0000311200000000, -0.0015374200000000 ] - [ -0.0007133600000000, -0.0001095800000000, -0.0016084300000000 ] - [ 0.0016376400000000, -0.0000181900000000, 0.0002915200000000 ] - [ 0.0017384000000000, 0.0000290400000000, 0.0003038300000000 ] - [ 0.0016463100000000, 0.0000073600000000, 0.0002969100000000 ] - [ 0.0017201500000000, 0.0000362500000000, 0.0003513400000000 ] - [ 0.0016644100000000, -0.0000021300000000, 0.0002955900000000 ] - [ 0.0016996400000000, -0.0000292800000000, 0.0003028000000000 ] - [ 0.0016711700000000, -0.0000074500000000, 0.0003038600000000 ] - [ 0.0016985800000000, -0.0000075700000000, 0.0003154600000000 ] - [ -0.0023343900000000, 0.0001380700000000, 0.0002696100000000 ] - [ 0.0020896100000000, -0.0054887800000000, -0.0023449200000000 ] - [ -0.0019600000000000, 0.0000289600000000, 0.0006407700000000 ] - [ -0.0015444600000000, 0.0000100400000000, 0.0000697100000000 ] - [ -0.0019277700000000, 0.0000565500000000, 0.0005067800000000 ] - [ -0.0014958100000000, -0.0002173900000000, 0.0000745400000000 ] - [ -0.0017675500000000, 0.0000118300000000, 0.0003288300000000 ] - [ -0.0016526100000000, -0.0000741400000000, 0.0005235100000000 ] - [ 0.0004347900000000, -0.0002940300000000, -0.0018029800000000 ] - [ 0.0011711300000000, 0.0005915700000000, -0.0014684200000000 ] - [ 0.0006698100000000, -0.0001148700000000, -0.0015992200000000 ] - [ 0.0008875300000000, 0.0000466600000000, -0.0015353100000000 ] - [ 0.0006875800000000, 0.0001032000000000, -0.0016115100000000 ] - [ 0.0008438500000000, -0.0000277300000000, -0.0015723900000000 ] - [ 0.0007256100000000, 0.0000785100000000, -0.0016105300000000 ] - [ 0.0008339100000000, -0.0000228100000000, -0.0015442500000000 ] - [ -0.0009999200000000, 0.0012338100000000, 0.0006642600000000 ] - [ -0.0009671800000000, 0.0012383000000000, 0.0006384300000000 ] - [ -0.0009994400000000, 0.0012280400000000, 0.0006775300000000 ] - [ -0.0009771800000000, 0.0012299600000000, 0.0006595600000000 ] - [ -0.0009975400000000, -0.0012418200000000, 0.0006637500000000 ] - [ -0.0009770300000000, -0.0012213400000000, 0.0006540600000000 ] - [ -0.0009950400000000, -0.0012390300000000, 0.0006659800000000 ] - [ -0.0009791400000000, -0.0012178700000000, 0.0006657500000000 ] - [ 0.0009937900000000, -0.0012440000000000, -0.0006588700000000 ] - [ 0.0009780800000000, -0.0012224700000000, -0.0006580400000000 ] - [ 0.0009976000000000, -0.0012395200000000, -0.0006711900000000 ] - [ 0.0009767300000000, -0.0012185100000000, -0.0006616500000000 ] - [ 0.0010060100000000, 0.0012238000000000, -0.0006860900000000 ] - [ 0.0009733000000000, 0.0012292200000000, -0.0006599800000000 ] - [ 0.0009945400000000, 0.0012305900000000, -0.0006654800000000 ] - [ 0.0009744300000000, 0.0012324900000000, -0.0006480700000000 ] - [ -0.0003736400000000, -0.0006699200000000, 0.0017015200000000 ] - [ -0.0011067000000000, 0.0002152400000000, 0.0013651900000000 ] - [ -0.0006532700000000, -0.0001252300000000, 0.0016322100000000 ] - [ -0.0008740500000000, 0.0000365900000000, 0.0015705200000000 ] - [ -0.0007098300000000, 0.0001043600000000, 0.0016247000000000 ] - [ -0.0008164700000000, 0.0000020600000000, 0.0015579000000000 ] - [ -0.0006983400000000, 0.0001078200000000, 0.0015969100000000 ] - [ -0.0008549500000000, -0.0000242300000000, 0.0015568300000000 ] - [ 0.0017132500000000, 0.0000902000000000, -0.0000861700000000 ] - [ 0.0015998500000000, 0.0000043300000000, -0.0002804400000000 ] - [ 0.0018696000000000, 0.0002346000000000, -0.0005355600000000 ] - [ 0.0014392900000000, -0.0000394800000000, -0.0001022300000000 ] - [ 0.0055451000000000, 0.0056437400000000, -0.0030445900000000 ] - [ 0.0010330200000000, -0.0001580900000000, -0.0003405800000000 ] - [ 0.0018225600000000, -0.0000279500000000, -0.0005402500000000 ] - [ 0.0014072900000000, -0.0000466400000000, 0.0000295600000000 ] - [ -0.0016478300000000, -0.0000196300000000, -0.0002591400000000 ] - [ -0.0017212700000000, 0.0000081700000000, -0.0003138700000000 ] - [ -0.0016290800000000, -0.0000133700000000, -0.0003060000000000 ] - [ -0.0017298000000000, 0.0000351300000000, -0.0003188600000000 ] - [ -0.0016664900000000, 0.0000135300000000, -0.0003064400000000 ] - [ -0.0017023000000000, -0.0000134300000000, -0.0003139200000000 ] - [ -0.0016688500000000, -0.0000069400000000, -0.0002951400000000 ] - [ -0.0016957300000000, -0.0000071900000000, -0.0003059200000000 ] - [ 0.0008750600000000, -0.0002270800000000, 0.0018090700000000 ] - [ 0.0005121400000000, 0.0003580100000000, 0.0015106000000000 ] - [ 0.0012845200000000, -0.0004624800000000, 0.0011347100000000 ] - [ 0.0002010600000000, 0.0004289000000000, 0.0018823300000000 ] - [ 0.0009317000000000, 0.0003065500000000, 0.0015953000000000 ] - [ 0.0005662300000000, -0.0003250100000000, 0.0014798800000000 ] - [ 0.0008279600000000, 0.0000306600000000, 0.0015591300000000 ] - [ 0.0006910500000000, -0.0001104900000000, 0.0016310400000000 ] - [ -0.0004507700000000, -0.0011244100000000, -0.0003519700000000 ] - [ -0.0013309200000000, -0.0013854800000000, -0.0008461700000000 ] - [ 0.0062821800000000, -0.0023089600000000, 0.0068198700000000 ] - [ -0.0016213500000000, -0.0015120300000000, -0.0007013600000000 ] - [ 0.0053167300000000, -0.0038600800000000, -0.0038562800000000 ] - [ -0.0015828700000000, 0.0013364600000000, -0.0008916800000000 ] - [ -0.0007638300000000, 0.0013793600000000, -0.0009164100000000 ] - [ -0.0011306000000000, 0.0012741900000000, -0.0006740700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0017591400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015064500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013152700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012582600000000, 0.0000000000000000 ] - [ -0.0000002400000000, -0.0004172800000000, 0.0000360100000000 ] - [ -0.0000068400000000, -0.0004566900000000, 0.0000309300000000 ] - [ 0.0000002400000000, -0.0004172800000000, -0.0000360100000000 ] - [ 0.0000068400000000, -0.0004566900000000, -0.0000309300000000 ] - [ -0.0016422400000000, 0.0024663900000000, -0.0009288800000000 ] - [ 0.0016422400000000, 0.0024663900000000, 0.0009288800000000 ] - [ -0.0002243500000000, 0.0008071300000000, 0.0001106400000000 ] - [ 0.0002243500000000, 0.0008071300000000, -0.0001106400000000 ] - [ 0.0011878200000000, -0.0025220800000000, -0.0023312500000000 ] - [ 0.0001269800000000, -0.0024485200000000, -0.0004398500000000 ] - [ -0.0001269800000000, -0.0024485200000000, 0.0004398500000000 ] - [ -0.0011878200000000, -0.0025220800000000, 0.0023312500000000 ] - [ 0.0000000000000000, -0.0347776100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001162400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005135200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004368500000000, 0.0000000000000000 ] - [ 0.0000363800000000, 0.0012548300000000, -0.0005380300000000 ] - [ 0.0001528300000000, 0.0010046700000000, -0.0004191300000000 ] - [ -0.0000363800000000, 0.0012548300000000, 0.0005380300000000 ] - [ -0.0001528300000000, 0.0010046700000000, 0.0004191300000000 ] - [ 0.0000000000000000, -0.0000734400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002094000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003293300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003791900000000, 0.0000000000000000 ] - [ 0.0014252700000000, -0.0013653700000000, 0.0024735300000000 ] - [ -0.0000237700000000, -0.0017471200000000, 0.0002064800000000 ] - [ -0.0014252700000000, -0.0013653700000000, -0.0024735300000000 ] - [ 0.0000237700000000, -0.0017471200000000, -0.0002064800000000 ] - [ 0.0017448200000000, 0.0011294200000000, 0.0011120500000000 ] - [ -0.0017448200000000, 0.0011294200000000, -0.0011120500000000 ] - [ 0.0000742600000000, -0.0009383300000000, -0.0002085500000000 ] - [ -0.0000742600000000, -0.0009383300000000, 0.0002085500000000 ] - [ -0.0001710000000000, 0.0011314900000000, 0.0001829900000000 ] - [ 0.0002071500000000, 0.0011208600000000, 0.0002584300000000 ] - [ -0.0002071500000000, 0.0011208600000000, -0.0002584300000000 ] - [ 0.0001710000000000, 0.0011314900000000, -0.0001829900000000 ] - [ 0.0000020700000000, 0.0017467100000000, 0.0000076800000000 ] - [ -0.0000020700000000, 0.0017467100000000, -0.0000076800000000 ] - [ 0.0000001200000000, 0.0016527300000000, 0.0000012800000000 ] - [ -0.0000001200000000, 0.0016527300000000, -0.0000012800000000 ] - [ 0.0000211000000000, -0.0007811100000000, -0.0000637300000000 ] - [ -0.0000567800000000, -0.0007867300000000, -0.0000655900000000 ] - [ 0.0000567800000000, -0.0007867300000000, 0.0000655900000000 ] - [ -0.0000211000000000, -0.0007811100000000, 0.0000637300000000 ] - [ 0.0008524600000000, -0.0004753000000000, 0.0006370200000000 ] - [ 0.0019182200000000, 0.0010009400000000, 0.0029196500000000 ] - [ 0.0008995900000000, -0.0008970400000000, 0.0007231200000000 ] - [ 0.0006534800000000, -0.0003949100000000, 0.0009221500000000 ] - [ 0.0013655800000000, 0.0016596900000000, 0.0007993300000000 ] - [ 0.0067872200000000, 0.0078043700000000, -0.0035599700000000 ] - [ 0.0010964600000000, 0.0014790100000000, 0.0005934000000000 ] - [ 0.0008930900000000, 0.0014522600000000, 0.0003589100000000 ] - [ -0.0013402100000000, -0.0002776100000000, -0.0011345400000000 ] - [ -0.0006851100000000, 0.0000181900000000, -0.0009885800000000 ] - [ -0.0006195600000000, 0.0002695200000000, -0.0016032900000000 ] - [ -0.0006396200000000, -0.0000028500000000, -0.0019913800000000 ] - [ -0.0005390700000000, -0.0004198500000000, -0.0014713000000000 ] - [ -0.0007086000000000, -0.0004270700000000, -0.0014951800000000 ] - [ -0.0006820000000000, -0.0001425800000000, -0.0016751600000000 ] - [ -0.0007490000000000, -0.0001419700000000, -0.0016618400000000 ] - [ 0.0017837100000000, -0.0002157000000000, 0.0003663200000000 ] - [ 0.0018660600000000, -0.0002989100000000, 0.0003970100000000 ] - [ 0.0017670800000000, -0.0001665000000000, 0.0002532200000000 ] - [ 0.0018035900000000, -0.0002368900000000, 0.0002307500000000 ] - [ 0.0015762000000000, -0.0002617700000000, 0.0003255700000000 ] - [ 0.0015572400000000, -0.0003081800000000, 0.0003285500000000 ] - [ 0.0015975300000000, -0.0002088000000000, 0.0003129900000000 ] - [ 0.0015844800000000, -0.0002261400000000, 0.0003130700000000 ] - [ -0.0022613000000000, 0.0006816000000000, -0.0001023100000000 ] - [ -0.0065644500000000, 0.0080140400000000, 0.0036740200000000 ] - [ -0.0020350000000000, 0.0002436400000000, 0.0007331100000000 ] - [ -0.0018942600000000, 0.0003951700000000, 0.0003381400000000 ] - [ -0.0013979500000000, -0.0000000200000000, 0.0000393800000000 ] - [ -0.0020225900000000, -0.0003307400000000, 0.0000146500000000 ] - [ -0.0016074800000000, 0.0000918300000000, 0.0003683500000000 ] - [ -0.0019322300000000, -0.0002444600000000, 0.0007022100000000 ] - [ 0.0004945200000000, -0.0003556300000000, -0.0017666800000000 ] - [ 0.0005211200000000, -0.0005941100000000, -0.0017020500000000 ] - [ 0.0007590500000000, -0.0000869800000000, -0.0015030300000000 ] - [ 0.0008275100000000, -0.0000821000000000, -0.0014605600000000 ] - [ 0.0008847100000000, -0.0002006900000000, -0.0016150700000000 ] - [ 0.0008568900000000, -0.0002162100000000, -0.0016417500000000 ] - [ 0.0008955300000000, -0.0001591500000000, -0.0015445000000000 ] - [ 0.0008897400000000, -0.0001891700000000, -0.0015544400000000 ] - [ -0.0008883300000000, 0.0009824000000000, 0.0006583500000000 ] - [ -0.0008423700000000, 0.0009223400000000, 0.0006410800000000 ] - [ -0.0009211700000000, 0.0010344900000000, 0.0006865600000000 ] - [ -0.0009047100000000, 0.0010206500000000, 0.0006820100000000 ] - [ -0.0010767800000000, -0.0014570700000000, 0.0006491800000000 ] - [ -0.0010740900000000, -0.0014667100000000, 0.0006504100000000 ] - [ -0.0010697500000000, -0.0014374800000000, 0.0006421600000000 ] - [ -0.0010707900000000, -0.0014507000000000, 0.0006412100000000 ] - [ 0.0010707900000000, -0.0014507000000000, -0.0006412100000000 ] - [ 0.0010697500000000, -0.0014374800000000, -0.0006421600000000 ] - [ 0.0010740900000000, -0.0014667100000000, -0.0006504100000000 ] - [ 0.0010767800000000, -0.0014570700000000, -0.0006491800000000 ] - [ 0.0008423700000000, 0.0009223400000000, -0.0006410800000000 ] - [ 0.0008883300000000, 0.0009824000000000, -0.0006583500000000 ] - [ 0.0009047100000000, 0.0010206500000000, -0.0006820100000000 ] - [ 0.0009211700000000, 0.0010344900000000, -0.0006865600000000 ] - [ -0.0005211200000000, -0.0005941100000000, 0.0017020500000000 ] - [ -0.0004945200000000, -0.0003556300000000, 0.0017666800000000 ] - [ -0.0008275100000000, -0.0000821000000000, 0.0014605600000000 ] - [ -0.0007590500000000, -0.0000869800000000, 0.0015030300000000 ] - [ -0.0008897400000000, -0.0001891700000000, 0.0015544400000000 ] - [ -0.0008955300000000, -0.0001591500000000, 0.0015445000000000 ] - [ -0.0008568900000000, -0.0002162100000000, 0.0016417500000000 ] - [ -0.0008847100000000, -0.0002006900000000, 0.0016150700000000 ] - [ 0.0019322300000000, -0.0002444600000000, -0.0007022100000000 ] - [ 0.0016074800000000, 0.0000918300000000, -0.0003683500000000 ] - [ 0.0020225900000000, -0.0003307400000000, -0.0000146500000000 ] - [ 0.0013979500000000, -0.0000000200000000, -0.0000393800000000 ] - [ 0.0065644500000000, 0.0080140400000000, -0.0036740200000000 ] - [ 0.0022613000000000, 0.0006816000000000, 0.0001023100000000 ] - [ 0.0018942600000000, 0.0003951700000000, -0.0003381400000000 ] - [ 0.0020350000000000, 0.0002436400000000, -0.0007331100000000 ] - [ -0.0018035900000000, -0.0002368900000000, -0.0002307500000000 ] - [ -0.0017670800000000, -0.0001665000000000, -0.0002532200000000 ] - [ -0.0018660600000000, -0.0002989100000000, -0.0003970100000000 ] - [ -0.0017837100000000, -0.0002157000000000, -0.0003663200000000 ] - [ -0.0015572400000000, -0.0003081800000000, -0.0003285500000000 ] - [ -0.0015762000000000, -0.0002617700000000, -0.0003255700000000 ] - [ -0.0015844800000000, -0.0002261400000000, -0.0003130700000000 ] - [ -0.0015975300000000, -0.0002088000000000, -0.0003129900000000 ] - [ 0.0006396200000000, -0.0000028500000000, 0.0019913800000000 ] - [ 0.0006195600000000, 0.0002695200000000, 0.0016032900000000 ] - [ 0.0006851100000000, 0.0000181900000000, 0.0009885800000000 ] - [ 0.0013402100000000, -0.0002776100000000, 0.0011345400000000 ] - [ 0.0007086000000000, -0.0004270700000000, 0.0014951800000000 ] - [ 0.0005390700000000, -0.0004198500000000, 0.0014713000000000 ] - [ 0.0007490000000000, -0.0001419700000000, 0.0016618400000000 ] - [ 0.0006820000000000, -0.0001425800000000, 0.0016751600000000 ] - [ -0.0006534800000000, -0.0003949100000000, -0.0009221500000000 ] - [ -0.0008995900000000, -0.0008970400000000, -0.0007231200000000 ] - [ -0.0019182200000000, 0.0010009400000000, -0.0029196500000000 ] - [ -0.0008524600000000, -0.0004753000000000, -0.0006370200000000 ] - [ -0.0067872200000000, 0.0078043700000000, 0.0035599700000000 ] - [ -0.0013655800000000, 0.0016596900000000, -0.0007993300000000 ] - [ -0.0008930900000000, 0.0014522600000000, -0.0003589100000000 ] - [ -0.0010964600000000, 0.0014790100000000, -0.0005934000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0001583000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004088100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005995300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006560100000000, 0.0000000000000000 ] - [ 0.0000005000000000, -0.0014953600000000, -0.0000364100000000 ] - [ 0.0000061700000000, -0.0014560100000000, -0.0000322100000000 ] - [ -0.0000005000000000, -0.0014953600000000, 0.0000364100000000 ] - [ -0.0000061700000000, -0.0014560100000000, 0.0000322100000000 ] - [ 0.0016435000000000, -0.0005533300000000, 0.0009276500000000 ] - [ -0.0016435000000000, -0.0005533300000000, -0.0009276500000000 ] - [ 0.0002228300000000, 0.0011105200000000, -0.0001097800000000 ] - [ -0.0002228300000000, 0.0011105200000000, 0.0001097800000000 ] - [ -0.0011871200000000, 0.0006105800000000, 0.0023263700000000 ] - [ -0.0001240100000000, 0.0005242900000000, 0.0004388000000000 ] - [ 0.0001240100000000, 0.0005242900000000, -0.0004388000000000 ] - [ 0.0011871200000000, 0.0006105800000000, -0.0023263700000000 ] - [ 0.0000000000000000, 0.0370561200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0025820500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019511600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020280700000000, 0.0000000000000000 ] - [ -0.0000378800000000, 0.0001678200000000, 0.0005358000000000 ] - [ -0.0001530300000000, 0.0004134800000000, 0.0004160500000000 ] - [ 0.0000378800000000, 0.0001678200000000, -0.0005358000000000 ] - [ 0.0001530300000000, 0.0004134800000000, -0.0004160500000000 ] - [ 0.0000000000000000, -0.0013470600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012084900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010910400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010434800000000, 0.0000000000000000 ] - [ -0.0014311000000000, -0.0010990400000000, -0.0024816000000000 ] - [ 0.0000275900000000, -0.0007211100000000, -0.0002109300000000 ] - [ 0.0014311000000000, -0.0010990400000000, 0.0024816000000000 ] - [ -0.0000275900000000, -0.0007211100000000, 0.0002109300000000 ] - [ -0.0017404500000000, -0.0025447300000000, -0.0011168500000000 ] - [ 0.0017404500000000, -0.0025447300000000, 0.0011168500000000 ] - [ -0.0000753500000000, -0.0004777900000000, 0.0002084100000000 ] - [ 0.0000753500000000, -0.0004777900000000, -0.0002084100000000 ] - [ 0.0001682700000000, 0.0002884800000000, -0.0001864400000000 ] - [ -0.0002064800000000, 0.0003004700000000, -0.0002589400000000 ] - [ 0.0002064800000000, 0.0003004700000000, 0.0002589400000000 ] - [ -0.0001682700000000, 0.0002884800000000, 0.0001864400000000 ] - [ -0.0000046000000000, 0.0007166900000000, -0.0000070100000000 ] - [ 0.0000046000000000, 0.0007166900000000, 0.0000070100000000 ] - [ 0.0000001200000000, 0.0008099800000000, 0.0000014300000000 ] - [ -0.0000001200000000, 0.0008099800000000, -0.0000014300000000 ] - [ -0.0000223600000000, -0.0016814500000000, 0.0000606000000000 ] - [ 0.0000590500000000, -0.0016797000000000, 0.0000653700000000 ] - [ -0.0000590500000000, -0.0016797000000000, -0.0000653700000000 ] - [ 0.0000223600000000, -0.0016814500000000, -0.0000606000000000 ] - [ 0.0011155700000000, -0.0019734300000000, 0.0006778600000000 ] - [ 0.0000850200000000, -0.0034207000000000, -0.0015664200000000 ] - [ 0.0010763200000000, -0.0015508700000000, 0.0005919100000000 ] - [ 0.0013198300000000, -0.0020524800000000, 0.0003916600000000 ] - [ 0.0006076400000000, 0.0007896500000000, 0.0005159300000000 ] - [ -0.0050151900000000, -0.0055407400000000, 0.0050468300000000 ] - [ 0.0008775100000000, 0.0009697900000000, 0.0007217500000000 ] - [ 0.0010818300000000, 0.0009960400000000, 0.0009555000000000 ] - [ -0.0002064900000000, 0.0003387300000000, -0.0020441600000000 ] - [ -0.0008604700000000, 0.0000425800000000, -0.0021879500000000 ] - [ -0.0009264900000000, -0.0002080600000000, -0.0015741400000000 ] - [ -0.0009074100000000, 0.0000635300000000, -0.0011880100000000 ] - [ -0.0010062300000000, 0.0003587700000000, -0.0017064600000000 ] - [ -0.0008377000000000, 0.0003665800000000, -0.0016829000000000 ] - [ -0.0008645500000000, 0.0000817800000000, -0.0015032000000000 ] - [ -0.0007966800000000, 0.0000813700000000, -0.0015155900000000 ] - [ 0.0015850300000000, 0.0002358100000000, 0.0002615300000000 ] - [ 0.0015054600000000, 0.0003188900000000, 0.0002307500000000 ] - [ 0.0016030000000000, 0.0001875800000000, 0.0003735100000000 ] - [ 0.0015672500000000, 0.0002568200000000, 0.0003963000000000 ] - [ 0.0017940700000000, 0.0002425000000000, 0.0003020400000000 ] - [ 0.0018147100000000, 0.0002887100000000, 0.0002997100000000 ] - [ 0.0017741900000000, 0.0001891700000000, 0.0003145000000000 ] - [ 0.0017860200000000, 0.0002065800000000, 0.0003147000000000 ] - [ -0.0011107600000000, -0.0007005100000000, 0.0007285200000000 ] - [ 0.0029534900000000, -0.0078018500000000, -0.0028931200000000 ] - [ -0.0013347400000000, -0.0002631200000000, -0.0001046200000000 ] - [ -0.0014768900000000, -0.0004154800000000, 0.0002884200000000 ] - [ -0.0019711000000000, 0.0000199800000000, 0.0005878100000000 ] - [ -0.0013480800000000, 0.0003516100000000, 0.0006136100000000 ] - [ -0.0017636700000000, -0.0000718700000000, 0.0002591200000000 ] - [ -0.0014404100000000, 0.0002651700000000, -0.0000739200000000 ] - [ 0.0010518900000000, 0.0002949800000000, -0.0014115600000000 ] - [ 0.0010268700000000, 0.0005339900000000, -0.0014762600000000 ] - [ 0.0007895600000000, 0.0000258400000000, -0.0016758000000000 ] - [ 0.0007209200000000, 0.0000215000000000, -0.0017170500000000 ] - [ 0.0006618700000000, 0.0002625900000000, -0.0015633800000000 ] - [ 0.0006902600000000, 0.0002774500000000, -0.0015364000000000 ] - [ 0.0006510700000000, 0.0002210400000000, -0.0016334900000000 ] - [ 0.0006579200000000, 0.0002506200000000, -0.0016244600000000 ] - [ -0.0010840300000000, 0.0014662400000000, 0.0006577800000000 ] - [ -0.0011292000000000, 0.0015263700000000, 0.0006745000000000 ] - [ -0.0010523700000000, 0.0014147400000000, 0.0006287300000000 ] - [ -0.0010689900000000, 0.0014285100000000, 0.0006341800000000 ] - [ -0.0008944800000000, -0.0009924500000000, 0.0006658700000000 ] - [ -0.0008990200000000, -0.0009826000000000, 0.0006641500000000 ] - [ -0.0009017200000000, -0.0010120200000000, 0.0006727600000000 ] - [ -0.0009011600000000, -0.0009981000000000, 0.0006738100000000 ] - [ 0.0009011600000000, -0.0009981000000000, -0.0006738100000000 ] - [ 0.0009017200000000, -0.0010120200000000, -0.0006727600000000 ] - [ 0.0008990200000000, -0.0009826000000000, -0.0006641500000000 ] - [ 0.0008944800000000, -0.0009924500000000, -0.0006658700000000 ] - [ 0.0011292000000000, 0.0015263700000000, -0.0006745000000000 ] - [ 0.0010840300000000, 0.0014662400000000, -0.0006577800000000 ] - [ 0.0010689900000000, 0.0014285100000000, -0.0006341800000000 ] - [ 0.0010523700000000, 0.0014147400000000, -0.0006287300000000 ] - [ -0.0010268700000000, 0.0005339900000000, 0.0014762600000000 ] - [ -0.0010518900000000, 0.0002949800000000, 0.0014115600000000 ] - [ -0.0007209200000000, 0.0000215000000000, 0.0017170500000000 ] - [ -0.0007895600000000, 0.0000258400000000, 0.0016758000000000 ] - [ -0.0006579200000000, 0.0002506200000000, 0.0016244600000000 ] - [ -0.0006510700000000, 0.0002210400000000, 0.0016334900000000 ] - [ -0.0006902600000000, 0.0002774500000000, 0.0015364000000000 ] - [ -0.0006618700000000, 0.0002625900000000, 0.0015633800000000 ] - [ 0.0014404100000000, 0.0002651700000000, 0.0000739200000000 ] - [ 0.0017636700000000, -0.0000718700000000, -0.0002591200000000 ] - [ 0.0013480800000000, 0.0003516100000000, -0.0006136100000000 ] - [ 0.0019711000000000, 0.0000199800000000, -0.0005878100000000 ] - [ -0.0029534900000000, -0.0078018500000000, 0.0028931200000000 ] - [ 0.0011107600000000, -0.0007005100000000, -0.0007285200000000 ] - [ 0.0014768900000000, -0.0004154800000000, -0.0002884200000000 ] - [ 0.0013347400000000, -0.0002631200000000, 0.0001046200000000 ] - [ -0.0015672500000000, 0.0002568200000000, -0.0003963000000000 ] - [ -0.0016030000000000, 0.0001875800000000, -0.0003735100000000 ] - [ -0.0015054600000000, 0.0003188900000000, -0.0002307500000000 ] - [ -0.0015850300000000, 0.0002358100000000, -0.0002615300000000 ] - [ -0.0018147100000000, 0.0002887100000000, -0.0002997100000000 ] - [ -0.0017940700000000, 0.0002425000000000, -0.0003020400000000 ] - [ -0.0017860200000000, 0.0002065800000000, -0.0003147000000000 ] - [ -0.0017741900000000, 0.0001891700000000, -0.0003145000000000 ] - [ 0.0009074100000000, 0.0000635300000000, 0.0011880100000000 ] - [ 0.0009264900000000, -0.0002080600000000, 0.0015741400000000 ] - [ 0.0008604700000000, 0.0000425800000000, 0.0021879500000000 ] - [ 0.0002064900000000, 0.0003387300000000, 0.0020441600000000 ] - [ 0.0008377000000000, 0.0003665800000000, 0.0016829000000000 ] - [ 0.0010062300000000, 0.0003587700000000, 0.0017064600000000 ] - [ 0.0007966800000000, 0.0000813700000000, 0.0015155900000000 ] - [ 0.0008645500000000, 0.0000817800000000, 0.0015032000000000 ] - [ -0.0013198300000000, -0.0020524800000000, -0.0003916600000000 ] - [ -0.0010763200000000, -0.0015508700000000, -0.0005919100000000 ] - [ -0.0000850200000000, -0.0034207000000000, 0.0015664200000000 ] - [ -0.0011155700000000, -0.0019734300000000, -0.0006778600000000 ] - [ 0.0050151900000000, -0.0055407400000000, -0.0050468300000000 ] - [ -0.0006076400000000, 0.0007896500000000, -0.0005159300000000 ] - [ -0.0010818300000000, 0.0009960400000000, -0.0009555000000000 ] - [ -0.0008775100000000, 0.0009697900000000, -0.0007217500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001825700000000, 0.0009594000000000, -0.0003216400000000 ] - [ -0.0000446000000000, 0.0009593400000000, -0.0001138300000000 ] - [ -0.0000091800000000, 0.0009582500000000, 0.0001680300000000 ] - [ -0.0000189700000000, 0.0009592300000000, 0.0001336000000000 ] - [ 0.0000077400000000, -0.0008867900000000, 0.0000137100000000 ] - [ -0.0000152000000000, -0.0009165300000000, 0.0000039500000000 ] - [ 0.0000058400000000, -0.0010304300000000, 0.0000146600000000 ] - [ -0.0000163600000000, -0.0010007400000000, 0.0000040300000000 ] - [ -0.0008037100000000, 0.0018085700000000, -0.0019135000000000 ] - [ -0.0008041300000000, 0.0001084000000000, -0.0019111200000000 ] - [ 0.0000783500000000, 0.0007707500000000, 0.0007437400000000 ] - [ 0.0000792400000000, 0.0011437200000000, 0.0007389500000000 ] - [ -0.0010580200000000, -0.0014134200000000, 0.0012787400000000 ] - [ 0.0018800500000000, -0.0032567500000000, 0.0012523500000000 ] - [ 0.0018854100000000, 0.0013407300000000, 0.0012641300000000 ] - [ -0.0010596100000000, -0.0005004700000000, 0.0012717900000000 ] - [ -0.0023480600000000, 0.0013718100000000, -0.0414498400000000 ] - [ -0.0000386500000000, 0.0012333600000000, -0.0010008200000000 ] - [ 0.0000077400000000, 0.0012310200000000, 0.0015911800000000 ] - [ 0.0001299000000000, 0.0012307200000000, 0.0008259500000000 ] - [ 0.0000323400000000, 0.0004190700000000, 0.0002099200000000 ] - [ -0.0000670300000000, 0.0004139400000000, -0.0000041600000000 ] - [ 0.0000314700000000, 0.0009933200000000, 0.0002137100000000 ] - [ -0.0000691000000000, 0.0009970500000000, -0.0000034700000000 ] - [ 0.0001920300000000, -0.0007089200000000, -0.0003598900000000 ] - [ -0.0000761200000000, -0.0007073200000000, -0.0000899800000000 ] - [ -0.0000247900000000, -0.0007063100000000, 0.0002152600000000 ] - [ -0.0000389200000000, -0.0007054100000000, 0.0001430700000000 ] - [ -0.0008349200000000, 0.0012402200000000, 0.0027349900000000 ] - [ 0.0000006000000000, -0.0010162000000000, 0.0001865000000000 ] - [ -0.0008401700000000, -0.0037123300000000, 0.0027435900000000 ] - [ 0.0000014900000000, -0.0014420100000000, 0.0001875300000000 ] - [ -0.0008939500000000, -0.0017627600000000, -0.0014242100000000 ] - [ -0.0008938000000000, 0.0003454000000000, -0.0014155200000000 ] - [ 0.0000215300000000, -0.0006206100000000, 0.0005190400000000 ] - [ 0.0000216400000000, -0.0007933200000000, 0.0005196700000000 ] - [ -0.0001387400000000, 0.0010685900000000, 0.0000566100000000 ] - [ 0.0002703900000000, 0.0010846800000000, 0.0000986200000000 ] - [ 0.0002718400000000, 0.0003290700000000, 0.0000995300000000 ] - [ -0.0001393700000000, 0.0003470700000000, 0.0000595700000000 ] - [ -0.0000180500000000, 0.0012363900000000, -0.0000676600000000 ] - [ -0.0000161900000000, 0.0012246700000000, -0.0000680100000000 ] - [ 0.0000108800000000, 0.0012265700000000, 0.0000591700000000 ] - [ 0.0000102200000000, 0.0012323400000000, 0.0000590200000000 ] - [ -0.0000100500000000, -0.0012950800000000, 0.0000075300000000 ] - [ 0.0000184100000000, -0.0012921900000000, 0.0000077400000000 ] - [ 0.0000182600000000, -0.0011688300000000, 0.0000085400000000 ] - [ -0.0000100200000000, -0.0011653700000000, 0.0000081400000000 ] - [ 0.0013499000000000, -0.0012614200000000, 0.0008245600000000 ] - [ 0.0089871300000000, 0.0012718300000000, 0.0115363600000000 ] - [ 0.0006480900000000, -0.0011100300000000, 0.0002571500000000 ] - [ 0.0011509000000000, -0.0014156900000000, -0.0002766500000000 ] - [ 0.0008724000000000, 0.0014050700000000, 0.0011090500000000 ] - [ -0.0024153700000000, -0.0026379900000000, 0.0056271700000000 ] - [ 0.0009257200000000, 0.0011902700000000, 0.0003850900000000 ] - [ 0.0007508000000000, 0.0011155800000000, -0.0003687100000000 ] - [ -0.0004218400000000, 0.0003375500000000, -0.0016760000000000 ] - [ -0.0009076000000000, 0.0004275400000000, -0.0010574600000000 ] - [ -0.0009887700000000, -0.0003834700000000, -0.0018814700000000 ] - [ -0.0007189500000000, -0.0001381300000000, -0.0018960500000000 ] - [ -0.0006683300000000, -0.0002356500000000, -0.0013314000000000 ] - [ -0.0008716100000000, 0.0002280800000000, -0.0014738900000000 ] - [ -0.0007062800000000, -0.0000463800000000, -0.0017468200000000 ] - [ -0.0007200100000000, -0.0000774700000000, -0.0017402900000000 ] - [ 0.0016764200000000, 0.0000701000000000, 0.0003395900000000 ] - [ 0.0016273400000000, 0.0001237000000000, 0.0003419000000000 ] - [ 0.0016943900000000, -0.0000437400000000, 0.0002907500000000 ] - [ 0.0016911200000000, -0.0000579600000000, 0.0002549300000000 ] - [ 0.0016837200000000, -0.0000143700000000, 0.0003431400000000 ] - [ 0.0016825600000000, 0.0000132500000000, 0.0003550600000000 ] - [ 0.0016680300000000, -0.0000206700000000, 0.0002830700000000 ] - [ 0.0016601600000000, -0.0000243600000000, 0.0002726200000000 ] - [ -0.0016786200000000, -0.0003029200000000, 0.0009929400000000 ] - [ -0.0038395600000000, 0.0032335900000000, 0.0032245800000000 ] - [ -0.0015556100000000, 0.0000343200000000, -0.0000624600000000 ] - [ -0.0016133000000000, 0.0001153900000000, -0.0002340600000000 ] - [ -0.0015851100000000, -0.0001318500000000, 0.0002570300000000 ] - [ -0.0023282500000000, -0.0008576900000000, 0.0006160500000000 ] - [ -0.0016285600000000, 0.0001136900000000, 0.0001831200000000 ] - [ -0.0012297800000000, 0.0004921900000000, -0.0001166200000000 ] - [ 0.0009376300000000, 0.0000432400000000, -0.0013587900000000 ] - [ 0.0006223200000000, -0.0004118600000000, -0.0015273100000000 ] - [ 0.0007219200000000, -0.0000006200000000, -0.0017116800000000 ] - [ 0.0007360900000000, 0.0000177300000000, -0.0017068800000000 ] - [ 0.0008506400000000, -0.0000498600000000, -0.0015386500000000 ] - [ 0.0008011800000000, -0.0000817400000000, -0.0015351700000000 ] - [ 0.0007092300000000, 0.0000914500000000, -0.0016354000000000 ] - [ 0.0007019700000000, 0.0001211000000000, -0.0016570400000000 ] - [ -0.0009973500000000, 0.0012169200000000, 0.0006873400000000 ] - [ -0.0010050800000000, 0.0012150300000000, 0.0006944900000000 ] - [ -0.0009819700000000, 0.0012311400000000, 0.0006270700000000 ] - [ -0.0009849200000000, 0.0012318900000000, 0.0006269300000000 ] - [ -0.0009923100000000, -0.0012191200000000, 0.0006720500000000 ] - [ -0.0010031400000000, -0.0012225100000000, 0.0006816300000000 ] - [ -0.0009864800000000, -0.0012286100000000, 0.0006394000000000 ] - [ -0.0009830800000000, -0.0012253400000000, 0.0006360700000000 ] - [ 0.0010002300000000, -0.0012232300000000, -0.0006787500000000 ] - [ 0.0009965600000000, -0.0012194500000000, -0.0006758800000000 ] - [ 0.0009797500000000, -0.0012258600000000, -0.0006333100000000 ] - [ 0.0009900100000000, -0.0012296000000000, -0.0006421700000000 ] - [ 0.0009783400000000, 0.0012341600000000, -0.0006207300000000 ] - [ 0.0009845100000000, 0.0012320300000000, -0.0006269500000000 ] - [ 0.0009982300000000, 0.0012177400000000, -0.0006870900000000 ] - [ 0.0010019600000000, 0.0012185400000000, -0.0006874000000000 ] - [ -0.0009037400000000, 0.0003504200000000, 0.0016524400000000 ] - [ -0.0005874900000000, -0.0001058000000000, 0.0018221700000000 ] - [ -0.0007903500000000, -0.0000804500000000, 0.0014732900000000 ] - [ -0.0008029700000000, -0.0000621100000000, 0.0014695100000000 ] - [ -0.0008250800000000, -0.0000585000000000, 0.0015226700000000 ] - [ -0.0008158100000000, -0.0000287000000000, 0.0015456500000000 ] - [ -0.0007236200000000, 0.0001454000000000, 0.0016453100000000 ] - [ -0.0006745200000000, 0.0001127100000000, 0.0016420200000000 ] - [ 0.0021160500000000, -0.0004610900000000, -0.0007411300000000 ] - [ 0.0017183500000000, -0.0000847100000000, -0.0004416200000000 ] - [ 0.0010182700000000, 0.0008906600000000, -0.0000093500000000 ] - [ 0.0017618200000000, 0.0001608500000000, -0.0003681400000000 ] - [ -0.0004473900000000, -0.0032147100000000, 0.0026030900000000 ] - [ 0.0016686000000000, 0.0002718900000000, 0.0003674700000000 ] - [ 0.0017340200000000, -0.0001454300000000, -0.0008596100000000 ] - [ 0.0017909000000000, -0.0000636500000000, -0.0006864400000000 ] - [ -0.0016561300000000, 0.0000870300000000, -0.0003692900000000 ] - [ -0.0016527800000000, 0.0000733100000000, -0.0003343100000000 ] - [ -0.0017202900000000, -0.0000951000000000, -0.0002822600000000 ] - [ -0.0016698300000000, -0.0000397200000000, -0.0002849900000000 ] - [ -0.0016654100000000, -0.0000417500000000, -0.0002696200000000 ] - [ -0.0016636400000000, -0.0000142900000000, -0.0002814600000000 ] - [ -0.0016869200000000, -0.0000041100000000, -0.0003511400000000 ] - [ -0.0016785200000000, -0.0000089600000000, -0.0003413400000000 ] - [ 0.0008053700000000, 0.0002019600000000, 0.0012842900000000 ] - [ 0.0005380000000000, 0.0004451300000000, 0.0012997000000000 ] - [ 0.0006158500000000, -0.0003662100000000, 0.0021237300000000 ] - [ 0.0011011900000000, -0.0002733500000000, 0.0015060200000000 ] - [ 0.0006528300000000, -0.0002907700000000, 0.0017077300000000 ] - [ 0.0008572700000000, 0.0001734400000000, 0.0018496300000000 ] - [ 0.0008037500000000, 0.0000137500000000, 0.0014411300000000 ] - [ 0.0008203000000000, -0.0000158100000000, 0.0014344900000000 ] - [ -0.0008333600000000, -0.0010345000000000, -0.0015896400000000 ] - [ -0.0013354700000000, -0.0013382300000000, -0.0010573900000000 ] - [ 0.0073488200000000, -0.0038160500000000, 0.0106327600000000 ] - [ -0.0006345200000000, -0.0011881900000000, -0.0004913000000000 ] - [ -0.0043250300000000, 0.0049907800000000, 0.0042810600000000 ] - [ -0.0011068200000000, 0.0010450000000000, -0.0002048200000000 ] - [ -0.0012329600000000, 0.0013337100000000, -0.0016842900000000 ] - [ -0.0010562800000000, 0.0012587200000000, -0.0009289900000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0032060200000000, 0.0022424400000000, -0.0007611100000000 ] - [ 0.0008384300000000, 0.0009706500000000, -0.0000208400000000 ] - [ -0.0032060800000000, -0.0003058800000000, -0.0007579200000000 ] - [ 0.0008384400000000, 0.0009691000000000, -0.0000218500000000 ] - [ -0.0004274000000000, -0.0009695900000000, 0.0002119200000000 ] - [ 0.0002340500000000, -0.0009696200000000, -0.0000161400000000 ] - [ -0.0001262900000000, -0.0009696100000000, -0.0000305300000000 ] - [ 0.0001043800000000, -0.0009697200000000, -0.0000171300000000 ] - [ 0.0000016600000000, 0.0009389400000000, 0.0000154200000000 ] - [ 0.0000158500000000, 0.0010261400000000, -0.0000188500000000 ] - [ 0.0000160900000000, 0.0009136700000000, -0.0000186500000000 ] - [ 0.0000015400000000, 0.0010006100000000, 0.0000152800000000 ] - [ 0.0011708100000000, -0.0028068400000000, 0.0009372800000000 ] - [ 0.0011700000000000, 0.0008657500000000, 0.0009404200000000 ] - [ 0.0001720200000000, -0.0012016900000000, -0.0001264900000000 ] - [ 0.0001714100000000, -0.0007379600000000, -0.0001270400000000 ] - [ -0.0006626000000000, 0.0012615700000000, 0.0000320100000000 ] - [ 0.0004497500000000, 0.0013748200000000, -0.0000676500000000 ] - [ -0.0006622900000000, 0.0011852100000000, 0.0000311500000000 ] - [ 0.0004486100000000, 0.0010714300000000, -0.0000679500000000 ] - [ -0.0345072400000000, 0.0006717100000000, 0.0009044600000000 ] - [ 0.0016077200000000, 0.0007159600000000, -0.0000184500000000 ] - [ -0.0008549400000000, 0.0007156600000000, -0.0000313900000000 ] - [ 0.0005776700000000, 0.0007153300000000, 0.0002010800000000 ] - [ -0.0000827600000000, -0.0007199200000000, 0.0000178100000000 ] - [ 0.0000735400000000, -0.0007306600000000, -0.0000237600000000 ] - [ -0.0000828600000000, -0.0007101500000000, 0.0000176600000000 ] - [ 0.0000735300000000, -0.0006994600000000, -0.0000235000000000 ] - [ -0.0003334500000000, -0.0012233600000000, 0.0001916800000000 ] - [ 0.0002141500000000, -0.0012209900000000, -0.0000742900000000 ] - [ -0.0001341900000000, -0.0012235600000000, -0.0000262000000000 ] - [ 0.0001137600000000, -0.0012216600000000, -0.0000395700000000 ] - [ 0.0014413100000000, -0.0023313300000000, 0.0011735900000000 ] - [ 0.0014407000000000, -0.0008100400000000, -0.0020706700000000 ] - [ 0.0014412600000000, -0.0006260700000000, -0.0020690300000000 ] - [ 0.0014402600000000, 0.0009048400000000, 0.0011706700000000 ] - [ 0.0000124500000000, 0.0007106300000000, 0.0000174800000000 ] - [ 0.0000122100000000, 0.0007237400000000, 0.0000175900000000 ] - [ -0.0000002200000000, 0.0007167300000000, -0.0000108900000000 ] - [ 0.0000001100000000, 0.0007181500000000, -0.0000113500000000 ] - [ 0.0000850300000000, 0.0013923800000000, 0.0001383100000000 ] - [ 0.0000678800000000, 0.0010180800000000, -0.0002698200000000 ] - [ 0.0000685300000000, 0.0014308700000000, -0.0002692200000000 ] - [ 0.0000845900000000, 0.0010549500000000, 0.0001369000000000 ] - [ 0.0014143200000000, 0.0005193600000000, 0.0008915300000000 ] - [ 0.0014140300000000, -0.0029657200000000, 0.0008956700000000 ] - [ 0.0000953100000000, -0.0011490000000000, -0.0000209200000000 ] - [ 0.0000945000000000, -0.0012999200000000, -0.0000202700000000 ] - [ 0.0006558600000000, -0.0009268100000000, 0.0004612100000000 ] - [ 0.0012856500000000, -0.0016070400000000, 0.0007131900000000 ] - [ 0.0008873000000000, -0.0011352900000000, 0.0006507100000000 ] - [ 0.0011118700000000, -0.0013061500000000, 0.0006954700000000 ] - [ 0.0009442300000000, 0.0012245000000000, 0.0006494800000000 ] - [ 0.0010416100000000, 0.0011870300000000, 0.0006888200000000 ] - [ 0.0009138500000000, 0.0012463100000000, 0.0006342100000000 ] - [ 0.0010772400000000, 0.0012007700000000, 0.0006573300000000 ] - [ -0.0014119500000000, -0.0000528300000000, -0.0014847800000000 ] - [ 0.0029294500000000, 0.0048751000000000, -0.0052244900000000 ] - [ -0.0010440500000000, -0.0000409200000000, -0.0012890100000000 ] - [ -0.0005782100000000, -0.0000656600000000, -0.0020310000000000 ] - [ -0.0007718800000000, -0.0000251000000000, -0.0015846100000000 ] - [ -0.0007549700000000, -0.0000380600000000, -0.0015866800000000 ] - [ -0.0007728300000000, -0.0000265900000000, -0.0015874200000000 ] - [ -0.0007491900000000, -0.0000369400000000, -0.0015990900000000 ] - [ 0.0009744400000000, 0.0002301300000000, 0.0000806700000000 ] - [ 0.0076514200000000, -0.0051407000000000, -0.0020972500000000 ] - [ 0.0015502000000000, 0.0000469600000000, 0.0002730600000000 ] - [ 0.0018757800000000, 0.0001056300000000, 0.0003457600000000 ] - [ 0.0016230300000000, -0.0000646600000000, 0.0002896700000000 ] - [ 0.0017422900000000, 0.0000518300000000, 0.0003606400000000 ] - [ 0.0015871700000000, -0.0001040800000000, 0.0002988600000000 ] - [ 0.0017493900000000, 0.0000619700000000, 0.0003157000000000 ] - [ -0.0019709600000000, 0.0002996000000000, 0.0002798500000000 ] - [ -0.0015152200000000, -0.0004532600000000, 0.0007606500000000 ] - [ -0.0022454100000000, 0.0004342900000000, 0.0005496400000000 ] - [ -0.0011654500000000, -0.0006226800000000, 0.0000030400000000 ] - [ -0.0016842200000000, 0.0000247000000000, 0.0003132600000000 ] - [ -0.0016686100000000, -0.0000127700000000, 0.0002969900000000 ] - [ -0.0016854700000000, 0.0000191900000000, 0.0003234800000000 ] - [ -0.0016667700000000, 0.0000132400000000, 0.0003121300000000 ] - [ 0.0002901800000000, -0.0002355400000000, -0.0018989500000000 ] - [ 0.0013203600000000, 0.0002115700000000, -0.0011563500000000 ] - [ 0.0000245200000000, -0.0003704500000000, -0.0017077900000000 ] - [ 0.0068051800000000, -0.0000936500000000, 0.0040980000000000 ] - [ 0.0007344100000000, 0.0000391100000000, -0.0016012100000000 ] - [ 0.0007913600000000, 0.0000300600000000, -0.0015955500000000 ] - [ 0.0007489300000000, 0.0000349600000000, -0.0015848600000000 ] - [ 0.0007795700000000, 0.0000274700000000, -0.0015835900000000 ] - [ -0.0010727000000000, 0.0012338800000000, 0.0006662200000000 ] - [ -0.0008710600000000, 0.0011516300000000, 0.0006886900000000 ] - [ -0.0012965200000000, 0.0010854400000000, 0.0009293600000000 ] - [ -0.0008323100000000, 0.0014869300000000, 0.0002963000000000 ] - [ -0.0011854600000000, -0.0014810900000000, 0.0005165400000000 ] - [ -0.0008578100000000, -0.0006336800000000, 0.0007389000000000 ] - [ -0.0010416800000000, -0.0012625100000000, 0.0007144600000000 ] - [ -0.0009551800000000, -0.0011678500000000, 0.0006241200000000 ] - [ 0.0011277600000000, -0.0018154700000000, -0.0005753800000000 ] - [ 0.0008004000000000, -0.0009677200000000, -0.0007982100000000 ] - [ 0.0010309500000000, -0.0012808500000000, -0.0006905300000000 ] - [ 0.0009442700000000, -0.0011864300000000, -0.0006000700000000 ] - [ 0.0011526800000000, 0.0009605800000000, -0.0010185300000000 ] - [ 0.0006884800000000, 0.0013636700000000, -0.0003848300000000 ] - [ 0.0011144800000000, 0.0012963100000000, -0.0006255100000000 ] - [ 0.0009130700000000, 0.0012147000000000, -0.0006484300000000 ] - [ 0.0053876200000000, 0.0000370000000000, 0.0074850900000000 ] - [ -0.0015000100000000, 0.0003073600000000, 0.0014700600000000 ] - [ -0.0002043000000000, -0.0002742600000000, 0.0020235100000000 ] - [ -0.0012349300000000, 0.0001726800000000, 0.0012793000000000 ] - [ -0.0007326900000000, 0.0000330700000000, 0.0015833800000000 ] - [ -0.0007896900000000, 0.0000239600000000, 0.0015777000000000 ] - [ -0.0007447600000000, 0.0000355400000000, 0.0015955300000000 ] - [ -0.0007750700000000, 0.0000282200000000, 0.0015939800000000 ] - [ 0.0016808900000000, 0.0000434100000000, -0.0003273000000000 ] - [ 0.0016651300000000, 0.0000059400000000, -0.0003109100000000 ] - [ 0.0016831300000000, 0.0000170500000000, -0.0003120100000000 ] - [ 0.0016642300000000, 0.0000112600000000, -0.0003008300000000 ] - [ 0.0021832100000000, 0.0005934800000000, -0.0006215300000000 ] - [ 0.0011025500000000, -0.0004657000000000, -0.0000741700000000 ] - [ 0.0018339900000000, 0.0004225600000000, 0.0001358100000000 ] - [ 0.0013784800000000, -0.0003299400000000, -0.0003447900000000 ] - [ 0.0044049000000000, 0.0053536000000000, -0.0028092000000000 ] - [ -0.0023757400000000, -0.0002002300000000, -0.0005430400000000 ] - [ -0.0014743300000000, -0.0000748100000000, -0.0002788600000000 ] - [ -0.0017992500000000, -0.0000159500000000, -0.0003513400000000 ] - [ -0.0016003700000000, -0.0000928500000000, -0.0003085400000000 ] - [ -0.0017625400000000, 0.0000731600000000, -0.0003251500000000 ] - [ -0.0016074200000000, -0.0000825700000000, -0.0002636200000000 ] - [ -0.0017267200000000, 0.0000337100000000, -0.0003345100000000 ] - [ 0.0045420000000000, -0.0049638300000000, -0.0021627900000000 ] - [ 0.0001115400000000, 0.0001174300000000, 0.0016950000000000 ] - [ 0.0009453000000000, 0.0001293200000000, 0.0011478700000000 ] - [ 0.0004800300000000, 0.0001042400000000, 0.0018900600000000 ] - [ 0.0007747700000000, -0.0000264400000000, 0.0015798000000000 ] - [ 0.0007513000000000, -0.0000366300000000, 0.0015915500000000 ] - [ 0.0007690600000000, -0.0000253700000000, 0.0015922200000000 ] - [ 0.0007520200000000, -0.0000382500000000, 0.0015943600000000 ] - [ -0.0007006100000000, -0.0008415600000000, -0.0006011500000000 ] - [ -0.0013304500000000, -0.0015221800000000, -0.0008528600000000 ] - [ -0.0008741100000000, -0.0011423200000000, -0.0006189700000000 ] - [ -0.0010986900000000, -0.0013131000000000, -0.0006635200000000 ] - [ -0.0009091400000000, 0.0012476400000000, -0.0006573300000000 ] - [ -0.0010722200000000, 0.0012015600000000, -0.0006807200000000 ] - [ -0.0009443400000000, 0.0012614200000000, -0.0006255900000000 ] - [ -0.0010418200000000, 0.0012236000000000, -0.0006651600000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012548300000000, 0.0005365700000000, 0.0031328400000000 ] - [ -0.0000348500000000, 0.0002806200000000, 0.0003546900000000 ] - [ -0.0012548300000000, 0.0005365700000000, -0.0031328400000000 ] - [ 0.0000348500000000, 0.0002806200000000, -0.0003546900000000 ] - [ 0.0000000000000000, -0.0001899100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004255400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006155500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006658100000000, 0.0000000000000000 ] - [ -0.0000334200000000, 0.0014521300000000, -0.0000547300000000 ] - [ 0.0000245900000000, 0.0014660400000000, -0.0000544400000000 ] - [ -0.0000245900000000, 0.0014660400000000, 0.0000544400000000 ] - [ 0.0000334200000000, 0.0014521300000000, 0.0000547300000000 ] - [ -0.0015288100000000, 0.0006371900000000, -0.0010383900000000 ] - [ 0.0015288100000000, 0.0006371900000000, 0.0010383900000000 ] - [ -0.0001297800000000, -0.0011156100000000, 0.0002240800000000 ] - [ 0.0001297800000000, -0.0011156100000000, -0.0002240800000000 ] - [ -0.0000248100000000, 0.0017758500000000, -0.0002870000000000 ] - [ 0.0001317000000000, 0.0015292000000000, -0.0002916500000000 ] - [ 0.0000248100000000, 0.0017758500000000, 0.0002870000000000 ] - [ -0.0001317000000000, 0.0015292000000000, 0.0002916500000000 ] - [ 0.0000000000000000, -0.0340680000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005168100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000807100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000007900000000, 0.0000000000000000 ] - [ -0.0000050400000000, -0.0002726800000000, 0.0000509500000000 ] - [ -0.0000155000000000, -0.0003042500000000, 0.0000380000000000 ] - [ 0.0000050400000000, -0.0002726800000000, -0.0000509500000000 ] - [ 0.0000155000000000, -0.0003042500000000, -0.0000380000000000 ] - [ 0.0000000000000000, -0.0005975700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007344900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008504000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008998500000000, 0.0000000000000000 ] - [ 0.0000905800000000, -0.0018208000000000, -0.0001822500000000 ] - [ 0.0016172900000000, -0.0018279200000000, -0.0024005000000000 ] - [ -0.0016172900000000, -0.0018279200000000, 0.0024005000000000 ] - [ -0.0000905800000000, -0.0018208000000000, 0.0001822500000000 ] - [ 0.0000059600000000, 0.0011903000000000, 0.0000026700000000 ] - [ -0.0000059600000000, 0.0011903000000000, -0.0000026700000000 ] - [ 0.0000010500000000, 0.0011025900000000, -0.0000023800000000 ] - [ -0.0000010500000000, 0.0011025900000000, 0.0000023800000000 ] - [ 0.0002283300000000, 0.0016542300000000, 0.0003614400000000 ] - [ -0.0001368400000000, 0.0016409700000000, 0.0003766100000000 ] - [ 0.0001368400000000, 0.0016409700000000, -0.0003766100000000 ] - [ -0.0002283300000000, 0.0016542300000000, -0.0003614400000000 ] - [ 0.0017963100000000, 0.0006090300000000, 0.0010546000000000 ] - [ -0.0017963100000000, 0.0006090300000000, -0.0010546000000000 ] - [ 0.0001672600000000, -0.0014645400000000, -0.0000858300000000 ] - [ -0.0001672600000000, -0.0014645400000000, 0.0000858300000000 ] - [ 0.0012521700000000, -0.0015716900000000, 0.0008109500000000 ] - [ 0.0011476300000000, -0.0016437600000000, 0.0007072300000000 ] - [ 0.0010216000000000, -0.0013213200000000, 0.0005816300000000 ] - [ 0.0009804900000000, -0.0013411600000000, 0.0005580800000000 ] - [ 0.0009303000000000, 0.0010632000000000, 0.0007092200000000 ] - [ 0.0009142800000000, 0.0010044500000000, 0.0007193700000000 ] - [ 0.0009047900000000, 0.0010173200000000, 0.0006218500000000 ] - [ 0.0008623800000000, 0.0009752800000000, 0.0006101700000000 ] - [ -0.0004490200000000, 0.0005957700000000, -0.0013424600000000 ] - [ 0.0032232300000000, 0.0066529200000000, -0.0053531600000000 ] - [ -0.0004548800000000, 0.0002991300000000, -0.0019228900000000 ] - [ -0.0006574100000000, 0.0003590200000000, -0.0015706000000000 ] - [ -0.0006656400000000, -0.0002403100000000, -0.0015877900000000 ] - [ -0.0006606900000000, -0.0002530000000000, -0.0015920400000000 ] - [ -0.0006646700000000, -0.0002570400000000, -0.0015882400000000 ] - [ -0.0006592300000000, -0.0002649100000000, -0.0015933800000000 ] - [ 0.0010270600000000, 0.0006025700000000, -0.0000071300000000 ] - [ -0.0044930900000000, 0.0070090200000000, 0.0037902200000000 ] - [ 0.0015466100000000, 0.0002960000000000, 0.0003809400000000 ] - [ 0.0017563900000000, 0.0003047600000000, 0.0006905600000000 ] - [ 0.0015631700000000, -0.0002055000000000, 0.0002618500000000 ] - [ 0.0015682600000000, -0.0002246000000000, 0.0002569300000000 ] - [ 0.0015528100000000, -0.0002626000000000, 0.0003499500000000 ] - [ 0.0015912800000000, -0.0002715200000000, 0.0003811800000000 ] - [ -0.0017475300000000, 0.0001526600000000, 0.0003500800000000 ] - [ -0.0017191900000000, -0.0002177500000000, 0.0008254900000000 ] - [ -0.0011360700000000, -0.0003718800000000, -0.0000044100000000 ] - [ -0.0018653100000000, 0.0001018200000000, -0.0001741700000000 ] - [ -0.0017910600000000, -0.0002341700000000, 0.0003115100000000 ] - [ -0.0018208200000000, -0.0002829900000000, 0.0003160900000000 ] - [ -0.0017583400000000, -0.0001801500000000, 0.0002945400000000 ] - [ -0.0017771600000000, -0.0001994600000000, 0.0003025300000000 ] - [ 0.0008663300000000, 0.0002837000000000, -0.0016343900000000 ] - [ 0.0011930500000000, 0.0007953800000000, -0.0014777500000000 ] - [ 0.0012312200000000, 0.0008300200000000, -0.0014685200000000 ] - [ 0.0012531800000000, 0.0018818100000000, -0.0020843000000000 ] - [ 0.0008629800000000, -0.0001998500000000, -0.0015962000000000 ] - [ 0.0008901100000000, -0.0002568000000000, -0.0016053000000000 ] - [ 0.0008452700000000, -0.0001466700000000, -0.0015685300000000 ] - [ 0.0008563600000000, -0.0001601700000000, -0.0015648900000000 ] - [ -0.0010718200000000, 0.0013383300000000, 0.0005879800000000 ] - [ -0.0008627100000000, 0.0011518500000000, 0.0003769000000000 ] - [ -0.0013668100000000, 0.0011030900000000, 0.0010302900000000 ] - [ -0.0007584200000000, 0.0008547900000000, 0.0011279200000000 ] - [ -0.0012137500000000, -0.0015587300000000, 0.0005219000000000 ] - [ -0.0010317400000000, -0.0017588300000000, 0.0004936100000000 ] - [ -0.0010796300000000, -0.0012864200000000, 0.0007647700000000 ] - [ -0.0010013100000000, -0.0012893200000000, 0.0007446200000000 ] - [ 0.0010317400000000, -0.0017588300000000, -0.0004936100000000 ] - [ 0.0012137500000000, -0.0015587300000000, -0.0005219000000000 ] - [ 0.0010013100000000, -0.0012893200000000, -0.0007446200000000 ] - [ 0.0010796300000000, -0.0012864200000000, -0.0007647700000000 ] - [ 0.0007584200000000, 0.0008547900000000, -0.0011279200000000 ] - [ 0.0013668100000000, 0.0011030900000000, -0.0010302900000000 ] - [ 0.0008627100000000, 0.0011518500000000, -0.0003769000000000 ] - [ 0.0010718200000000, 0.0013383300000000, -0.0005879800000000 ] - [ -0.0012531800000000, 0.0018818100000000, 0.0020843000000000 ] - [ -0.0012312200000000, 0.0008300200000000, 0.0014685200000000 ] - [ -0.0011930500000000, 0.0007953800000000, 0.0014777500000000 ] - [ -0.0008663300000000, 0.0002837000000000, 0.0016343900000000 ] - [ -0.0008901100000000, -0.0002568000000000, 0.0016053000000000 ] - [ -0.0008629800000000, -0.0001998500000000, 0.0015962000000000 ] - [ -0.0008563600000000, -0.0001601700000000, 0.0015648900000000 ] - [ -0.0008452700000000, -0.0001466700000000, 0.0015685300000000 ] - [ 0.0018208200000000, -0.0002829900000000, -0.0003160900000000 ] - [ 0.0017910600000000, -0.0002341700000000, -0.0003115100000000 ] - [ 0.0017771600000000, -0.0001994600000000, -0.0003025300000000 ] - [ 0.0017583400000000, -0.0001801500000000, -0.0002945400000000 ] - [ 0.0018653100000000, 0.0001018200000000, 0.0001741700000000 ] - [ 0.0011360700000000, -0.0003718800000000, 0.0000044100000000 ] - [ 0.0017191900000000, -0.0002177500000000, -0.0008254900000000 ] - [ 0.0017475300000000, 0.0001526600000000, -0.0003500800000000 ] - [ 0.0044930900000000, 0.0070090200000000, -0.0037902200000000 ] - [ -0.0010270600000000, 0.0006025700000000, 0.0000071300000000 ] - [ -0.0017563900000000, 0.0003047600000000, -0.0006905600000000 ] - [ -0.0015466100000000, 0.0002960000000000, -0.0003809400000000 ] - [ -0.0015912800000000, -0.0002715200000000, -0.0003811800000000 ] - [ -0.0015528100000000, -0.0002626000000000, -0.0003499500000000 ] - [ -0.0015682600000000, -0.0002246000000000, -0.0002569300000000 ] - [ -0.0015631700000000, -0.0002055000000000, -0.0002618500000000 ] - [ -0.0032232300000000, 0.0066529200000000, 0.0053531600000000 ] - [ 0.0004490200000000, 0.0005957700000000, 0.0013424600000000 ] - [ 0.0006574100000000, 0.0003590200000000, 0.0015706000000000 ] - [ 0.0004548800000000, 0.0002991300000000, 0.0019228900000000 ] - [ 0.0006592300000000, -0.0002649100000000, 0.0015933800000000 ] - [ 0.0006646700000000, -0.0002570400000000, 0.0015882400000000 ] - [ 0.0006606900000000, -0.0002530000000000, 0.0015920400000000 ] - [ 0.0006656400000000, -0.0002403100000000, 0.0015877900000000 ] - [ -0.0011476300000000, -0.0016437600000000, -0.0007072300000000 ] - [ -0.0012521700000000, -0.0015716900000000, -0.0008109500000000 ] - [ -0.0009804900000000, -0.0013411600000000, -0.0005580800000000 ] - [ -0.0010216000000000, -0.0013213200000000, -0.0005816300000000 ] - [ -0.0008623800000000, 0.0009752800000000, -0.0006101700000000 ] - [ -0.0009047900000000, 0.0010173200000000, -0.0006218500000000 ] - [ -0.0009142800000000, 0.0010044500000000, -0.0007193700000000 ] - [ -0.0009303000000000, 0.0010632000000000, -0.0007092200000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012497200000000, 0.0013973600000000, -0.0031216600000000 ] - [ 0.0000336500000000, 0.0016575400000000, -0.0003542400000000 ] - [ 0.0012497200000000, 0.0013973600000000, 0.0031216600000000 ] - [ -0.0000336500000000, 0.0016575400000000, 0.0003542400000000 ] - [ 0.0000000000000000, -0.0017453200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015158000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013216600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012752300000000, 0.0000000000000000 ] - [ 0.0000343300000000, 0.0004839500000000, 0.0000553100000000 ] - [ -0.0000260600000000, 0.0004706900000000, 0.0000544400000000 ] - [ 0.0000260600000000, 0.0004706900000000, -0.0000544400000000 ] - [ -0.0000343300000000, 0.0004839500000000, -0.0000553100000000 ] - [ 0.0015343300000000, -0.0025738600000000, 0.0010366400000000 ] - [ -0.0015343300000000, -0.0025738600000000, -0.0010366400000000 ] - [ 0.0001300500000000, -0.0008172300000000, -0.0002242000000000 ] - [ -0.0001300500000000, -0.0008172300000000, 0.0002242000000000 ] - [ 0.0000234500000000, 0.0006804300000000, 0.0002893400000000 ] - [ -0.0001321000000000, 0.0009268900000000, 0.0002925700000000 ] - [ -0.0000234500000000, 0.0006804300000000, -0.0002893400000000 ] - [ 0.0001321000000000, 0.0009268900000000, -0.0002925700000000 ] - [ 0.0000000000000000, 0.0353317100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019548000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013537800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014370900000000, 0.0000000000000000 ] - [ 0.0000050600000000, -0.0011633100000000, -0.0000513800000000 ] - [ 0.0000155000000000, -0.0011302600000000, -0.0000375300000000 ] - [ -0.0000050600000000, -0.0011633100000000, 0.0000513800000000 ] - [ -0.0000155000000000, -0.0011302600000000, 0.0000375300000000 ] - [ 0.0000000000000000, -0.0018645600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017170200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016021200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015548100000000, 0.0000000000000000 ] - [ -0.0000942900000000, 0.0003920400000000, 0.0001810400000000 ] - [ -0.0016197500000000, 0.0003879000000000, 0.0024043300000000 ] - [ 0.0016197500000000, 0.0003879000000000, -0.0024043300000000 ] - [ 0.0000942900000000, 0.0003920400000000, -0.0001810400000000 ] - [ -0.0000064500000000, 0.0002409900000000, -0.0000030200000000 ] - [ 0.0000064500000000, 0.0002409900000000, 0.0000030200000000 ] - [ -0.0000006100000000, 0.0003325300000000, 0.0000013000000000 ] - [ 0.0000006100000000, 0.0003325300000000, -0.0000013000000000 ] - [ -0.0002272300000000, 0.0008025800000000, -0.0003621200000000 ] - [ 0.0001351300000000, 0.0008132400000000, -0.0003738000000000 ] - [ -0.0001351300000000, 0.0008132400000000, 0.0003738000000000 ] - [ 0.0002272300000000, 0.0008025800000000, 0.0003621200000000 ] - [ -0.0017910800000000, -0.0030599200000000, -0.0010576700000000 ] - [ 0.0017910800000000, -0.0030599200000000, 0.0010576700000000 ] - [ -0.0001664600000000, -0.0009908700000000, 0.0000872500000000 ] - [ 0.0001664600000000, -0.0009908700000000, -0.0000872500000000 ] - [ 0.0007289800000000, -0.0008803400000000, 0.0005034300000000 ] - [ 0.0008341600000000, -0.0008072100000000, 0.0006075900000000 ] - [ 0.0009591300000000, -0.0011292400000000, 0.0007331200000000 ] - [ 0.0009997700000000, -0.0011087700000000, 0.0007580600000000 ] - [ 0.0010501800000000, 0.0013888400000000, 0.0006053500000000 ] - [ 0.0010658800000000, 0.0014485000000000, 0.0005942600000000 ] - [ 0.0010764700000000, 0.0014348000000000, 0.0006933800000000 ] - [ 0.0011186100000000, 0.0014772600000000, 0.0007047400000000 ] - [ -0.0010778700000000, -0.0005344700000000, -0.0018336300000000 ] - [ -0.0049498800000000, -0.0067498800000000, 0.0023429300000000 ] - [ -0.0010734200000000, -0.0002388700000000, -0.0012511900000000 ] - [ -0.0008706900000000, -0.0002994300000000, -0.0016050800000000 ] - [ -0.0008628200000000, 0.0001808100000000, -0.0015859500000000 ] - [ -0.0008678100000000, 0.0001920200000000, -0.0015817200000000 ] - [ -0.0008631600000000, 0.0001967000000000, -0.0015862200000000 ] - [ -0.0008686000000000, 0.0002047900000000, -0.0015811600000000 ] - [ 0.0023277700000000, -0.0005750900000000, 0.0006307500000000 ] - [ 0.0076124200000000, -0.0067576100000000, -0.0030228500000000 ] - [ 0.0018087600000000, -0.0002676600000000, 0.0002441900000000 ] - [ 0.0015991400000000, -0.0002767200000000, -0.0000652600000000 ] - [ 0.0017931600000000, 0.0001786300000000, 0.0003628400000000 ] - [ 0.0017880900000000, 0.0001980100000000, 0.0003679800000000 ] - [ 0.0018031800000000, 0.0002358300000000, 0.0002750800000000 ] - [ 0.0017651000000000, 0.0002449400000000, 0.0002432900000000 ] - [ -0.0016073300000000, -0.0001797400000000, 0.0002751400000000 ] - [ -0.0016352200000000, 0.0001907000000000, -0.0002004200000000 ] - [ -0.0022177700000000, 0.0003444200000000, 0.0006285300000000 ] - [ -0.0014880800000000, -0.0001281100000000, 0.0008009500000000 ] - [ -0.0015641100000000, 0.0002622800000000, 0.0003129100000000 ] - [ -0.0015343600000000, 0.0003112600000000, 0.0003078800000000 ] - [ -0.0015977400000000, 0.0002065300000000, 0.0003296100000000 ] - [ -0.0015803000000000, 0.0002260100000000, 0.0003219900000000 ] - [ 0.0006633000000000, -0.0003416200000000, -0.0015393700000000 ] - [ 0.0003332900000000, -0.0008544400000000, -0.0016984600000000 ] - [ 0.0002935000000000, -0.0008887100000000, -0.0017048100000000 ] - [ 0.0003122900000000, -0.0019471500000000, -0.0010432500000000 ] - [ 0.0006646700000000, 0.0002601200000000, -0.0015785300000000 ] - [ 0.0006379500000000, 0.0003168400000000, -0.0015688400000000 ] - [ 0.0006819400000000, 0.0002077500000000, -0.0016062800000000 ] - [ 0.0006711100000000, 0.0002206100000000, -0.0016100100000000 ] - [ -0.0009073900000000, 0.0011134300000000, 0.0007271500000000 ] - [ -0.0011175800000000, 0.0012998100000000, 0.0009383300000000 ] - [ -0.0006119700000000, 0.0013491000000000, 0.0002844800000000 ] - [ -0.0012201500000000, 0.0015951400000000, 0.0001885200000000 ] - [ -0.0007658200000000, -0.0008921600000000, 0.0007929700000000 ] - [ -0.0009477000000000, -0.0006926200000000, 0.0008207300000000 ] - [ -0.0008998500000000, -0.0011648400000000, 0.0005505400000000 ] - [ -0.0009780100000000, -0.0011615900000000, 0.0005701800000000 ] - [ 0.0009477000000000, -0.0006926200000000, -0.0008207300000000 ] - [ 0.0007658200000000, -0.0008921600000000, -0.0007929700000000 ] - [ 0.0009780100000000, -0.0011615900000000, -0.0005701800000000 ] - [ 0.0008998500000000, -0.0011648400000000, -0.0005505400000000 ] - [ 0.0012201500000000, 0.0015951400000000, -0.0001885200000000 ] - [ 0.0006119700000000, 0.0013491000000000, -0.0002844800000000 ] - [ 0.0011175800000000, 0.0012998100000000, -0.0009383300000000 ] - [ 0.0009073900000000, 0.0011134300000000, -0.0007271500000000 ] - [ -0.0003122900000000, -0.0019471500000000, 0.0010432500000000 ] - [ -0.0002935000000000, -0.0008887100000000, 0.0017048100000000 ] - [ -0.0003332900000000, -0.0008544400000000, 0.0016984600000000 ] - [ -0.0006633000000000, -0.0003416200000000, 0.0015393700000000 ] - [ -0.0006379500000000, 0.0003168400000000, 0.0015688400000000 ] - [ -0.0006646700000000, 0.0002601200000000, 0.0015785300000000 ] - [ -0.0006711100000000, 0.0002206100000000, 0.0016100100000000 ] - [ -0.0006819400000000, 0.0002077500000000, 0.0016062800000000 ] - [ 0.0015343600000000, 0.0003112600000000, -0.0003078800000000 ] - [ 0.0015641100000000, 0.0002622800000000, -0.0003129100000000 ] - [ 0.0015803000000000, 0.0002260100000000, -0.0003219900000000 ] - [ 0.0015977400000000, 0.0002065300000000, -0.0003296100000000 ] - [ 0.0014880800000000, -0.0001281100000000, -0.0008009500000000 ] - [ 0.0022177700000000, 0.0003444200000000, -0.0006285300000000 ] - [ 0.0016352200000000, 0.0001907000000000, 0.0002004200000000 ] - [ 0.0016073300000000, -0.0001797400000000, -0.0002751400000000 ] - [ -0.0076124200000000, -0.0067576100000000, 0.0030228500000000 ] - [ -0.0023277700000000, -0.0005750900000000, -0.0006307500000000 ] - [ -0.0015991400000000, -0.0002767200000000, 0.0000652600000000 ] - [ -0.0018087600000000, -0.0002676600000000, -0.0002441900000000 ] - [ -0.0017651000000000, 0.0002449400000000, -0.0002432900000000 ] - [ -0.0018031800000000, 0.0002358300000000, -0.0002750800000000 ] - [ -0.0017880900000000, 0.0001980100000000, -0.0003679800000000 ] - [ -0.0017931600000000, 0.0001786300000000, -0.0003628400000000 ] - [ 0.0049498800000000, -0.0067498800000000, -0.0023429300000000 ] - [ 0.0010778700000000, -0.0005344700000000, 0.0018336300000000 ] - [ 0.0008706900000000, -0.0002994300000000, 0.0016050800000000 ] - [ 0.0010734200000000, -0.0002388700000000, 0.0012511900000000 ] - [ 0.0008686000000000, 0.0002047900000000, 0.0015811600000000 ] - [ 0.0008631600000000, 0.0001967000000000, 0.0015862200000000 ] - [ 0.0008678100000000, 0.0001920200000000, 0.0015817200000000 ] - [ 0.0008628200000000, 0.0001808100000000, 0.0015859500000000 ] - [ -0.0008341600000000, -0.0008072100000000, -0.0006075900000000 ] - [ -0.0007289800000000, -0.0008803400000000, -0.0005034300000000 ] - [ -0.0009997700000000, -0.0011087700000000, -0.0007580600000000 ] - [ -0.0009591300000000, -0.0011292400000000, -0.0007331200000000 ] - [ -0.0011186100000000, 0.0014772600000000, -0.0007047400000000 ] - [ -0.0010764700000000, 0.0014348000000000, -0.0006933800000000 ] - [ -0.0010658800000000, 0.0014485000000000, -0.0005942600000000 ] - [ -0.0010501800000000, 0.0013888400000000, -0.0006053500000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007946400000000, 0.0040776500000000, 0.0030396200000000 ] - [ -0.0000004900000000, 0.0013041500000000, 0.0001072000000000 ] - [ -0.0007897200000000, -0.0021195700000000, 0.0030208100000000 ] - [ -0.0000013500000000, 0.0006306100000000, 0.0001060000000000 ] - [ 0.0002014500000000, -0.0009677900000000, -0.0003201800000000 ] - [ -0.0000681100000000, -0.0009675900000000, -0.0001221800000000 ] - [ 0.0000198600000000, -0.0009673500000000, 0.0001799700000000 ] - [ -0.0000456100000000, -0.0009673200000000, 0.0001320400000000 ] - [ 0.0000278500000000, 0.0008982600000000, 0.0000089000000000 ] - [ -0.0000211200000000, 0.0008898400000000, 0.0000104400000000 ] - [ -0.0000205100000000, 0.0010458300000000, 0.0000099800000000 ] - [ 0.0000278100000000, 0.0010375200000000, 0.0000081100000000 ] - [ -0.0007764100000000, -0.0000256800000000, -0.0018462300000000 ] - [ -0.0007750400000000, -0.0019072100000000, -0.0018416200000000 ] - [ 0.0000408700000000, -0.0010775600000000, 0.0007419400000000 ] - [ 0.0000400300000000, -0.0008573700000000, 0.0007410900000000 ] - [ -0.0000475400000000, 0.0006926200000000, 0.0002113800000000 ] - [ -0.0001050000000000, 0.0008139900000000, -0.0000036100000000 ] - [ -0.0000464600000000, 0.0017652000000000, 0.0002105300000000 ] - [ -0.0001056200000000, 0.0016462800000000, -0.0000033400000000 ] - [ 0.0008999500000000, 0.0007130200000000, -0.0378059400000000 ] - [ -0.0000176000000000, 0.0007131500000000, -0.0010720300000000 ] - [ -0.0000312200000000, 0.0007138200000000, 0.0015334400000000 ] - [ 0.0002012400000000, 0.0007141500000000, 0.0009295100000000 ] - [ 0.0000170300000000, -0.0006629000000000, 0.0000036500000000 ] - [ -0.0000234900000000, -0.0006755700000000, 0.0000087900000000 ] - [ 0.0000174600000000, -0.0007644100000000, 0.0000035000000000 ] - [ -0.0000237200000000, -0.0007515900000000, 0.0000082500000000 ] - [ 0.0001666900000000, -0.0012296200000000, -0.0003585500000000 ] - [ -0.0000648900000000, -0.0012295200000000, -0.0000921300000000 ] - [ -0.0000225300000000, -0.0012290700000000, 0.0002156200000000 ] - [ -0.0000269600000000, -0.0012298500000000, 0.0001476700000000 ] - [ 0.0020735500000000, -0.0031147900000000, 0.0015676600000000 ] - [ -0.0011717600000000, -0.0008973400000000, 0.0015619900000000 ] - [ -0.0011717100000000, -0.0005338100000000, 0.0015665000000000 ] - [ 0.0020671300000000, 0.0016879100000000, 0.0015603800000000 ] - [ -0.0000175000000000, 0.0007148600000000, -0.0000660700000000 ] - [ -0.0000177000000000, 0.0007099500000000, -0.0000655700000000 ] - [ 0.0000112400000000, 0.0007116600000000, 0.0000583700000000 ] - [ 0.0000105600000000, 0.0007149700000000, 0.0000580400000000 ] - [ 0.0001143100000000, 0.0014165300000000, 0.0000593400000000 ] - [ -0.0001069100000000, 0.0014886100000000, 0.0000981700000000 ] - [ -0.0001074500000000, 0.0009700100000000, 0.0000997200000000 ] - [ 0.0001138900000000, 0.0010419400000000, 0.0000595300000000 ] - [ -0.0010135700000000, -0.0023447600000000, -0.0014224700000000 ] - [ -0.0010107900000000, -0.0001160500000000, -0.0014171700000000 ] - [ 0.0000795000000000, -0.0010198100000000, 0.0005200200000000 ] - [ 0.0000792400000000, -0.0014381000000000, 0.0005196000000000 ] - [ 0.0012298800000000, -0.0013789900000000, 0.0009245500000000 ] - [ 0.0009077500000000, -0.0009413400000000, 0.0007961100000000 ] - [ 0.0009541600000000, -0.0012563900000000, 0.0005232300000000 ] - [ 0.0009560100000000, -0.0013001300000000, 0.0004898500000000 ] - [ 0.0010032800000000, 0.0012935300000000, 0.0006129800000000 ] - [ 0.0010107800000000, 0.0013314000000000, 0.0005673700000000 ] - [ 0.0010218800000000, 0.0011601100000000, 0.0007131100000000 ] - [ 0.0009376100000000, 0.0010751200000000, 0.0007352400000000 ] - [ -0.0011671000000000, 0.0003461000000000, -0.0007670000000000 ] - [ -0.0040162900000000, -0.0040014200000000, 0.0026615100000000 ] - [ -0.0005935800000000, -0.0000084600000000, -0.0020155100000000 ] - [ -0.0006211700000000, -0.0001633300000000, -0.0023468500000000 ] - [ -0.0007653800000000, -0.0000251900000000, -0.0016076800000000 ] - [ -0.0007613400000000, -0.0000316100000000, -0.0016101600000000 ] - [ -0.0007676600000000, -0.0000345100000000, -0.0015753400000000 ] - [ -0.0007789400000000, -0.0000310200000000, -0.0015665200000000 ] - [ 0.0018097500000000, -0.0002051200000000, 0.0008183000000000 ] - [ -0.0004975000000000, 0.0025579000000000, 0.0038732400000000 ] - [ 0.0016188500000000, 0.0000460100000000, 0.0000741600000000 ] - [ 0.0014609400000000, 0.0001275700000000, -0.0004896400000000 ] - [ 0.0016569400000000, -0.0000477300000000, 0.0002956700000000 ] - [ 0.0016227000000000, -0.0000947500000000, 0.0002663300000000 ] - [ 0.0017499100000000, 0.0000652500000000, 0.0003394400000000 ] - [ 0.0016974400000000, 0.0000472400000000, 0.0003337100000000 ] - [ -0.0018914500000000, 0.0003530600000000, 0.0000590600000000 ] - [ -0.0016605100000000, 0.0002266500000000, -0.0000772400000000 ] - [ -0.0013024600000000, -0.0004268300000000, 0.0002448200000000 ] - [ -0.0016913400000000, -0.0006401300000000, 0.0006484800000000 ] - [ -0.0016832000000000, 0.0000196800000000, 0.0003431900000000 ] - [ -0.0016791400000000, 0.0000459700000000, 0.0003539800000000 ] - [ -0.0016734600000000, 0.0000066000000000, 0.0002811700000000 ] - [ -0.0016789900000000, 0.0000018300000000, 0.0002792200000000 ] - [ 0.0002232700000000, -0.0002291100000000, -0.0021377900000000 ] - [ 0.0007911400000000, 0.0000691400000000, -0.0024229900000000 ] - [ 0.0012635200000000, 0.0002020700000000, -0.0013616200000000 ] - [ 0.0068446700000000, -0.0012221000000000, 0.0065648200000000 ] - [ 0.0007826600000000, 0.0000281900000000, -0.0015612800000000 ] - [ 0.0007661000000000, 0.0000277100000000, -0.0015560100000000 ] - [ 0.0007650500000000, 0.0000326000000000, -0.0016171500000000 ] - [ 0.0007549700000000, 0.0000348000000000, -0.0016213200000000 ] - [ -0.0009375600000000, 0.0011223400000000, 0.0005528300000000 ] - [ -0.0006079100000000, 0.0008351700000000, 0.0002335000000000 ] - [ -0.0008540200000000, 0.0013888900000000, 0.0005724500000000 ] - [ -0.0014093400000000, 0.0016551200000000, 0.0011011400000000 ] - [ -0.0009388400000000, -0.0011224500000000, 0.0008782400000000 ] - [ -0.0010727300000000, -0.0015933300000000, 0.0007105000000000 ] - [ -0.0009112900000000, -0.0011908600000000, 0.0005239300000000 ] - [ -0.0009707800000000, -0.0011922500000000, 0.0005571600000000 ] - [ 0.0009056300000000, -0.0008560800000000, -0.0006062000000000 ] - [ 0.0010391900000000, -0.0013278600000000, -0.0004377100000000 ] - [ 0.0010069700000000, -0.0012583800000000, -0.0007586100000000 ] - [ 0.0010672800000000, -0.0012594300000000, -0.0007924400000000 ] - [ 0.0005679800000000, 0.0007938100000000, -0.0002143200000000 ] - [ 0.0011233300000000, 0.0010628400000000, -0.0007425500000000 ] - [ 0.0013696100000000, 0.0016146500000000, -0.0010814100000000 ] - [ 0.0010401500000000, 0.0013279500000000, -0.0007632800000000 ] - [ 0.0056139100000000, 0.0011796700000000, 0.0100926900000000 ] - [ -0.0002738400000000, -0.0002647600000000, 0.0018183600000000 ] - [ -0.0007475300000000, -0.0001307200000000, 0.0007578800000000 ] - [ -0.0013136700000000, 0.0001661300000000, 0.0010420400000000 ] - [ -0.0007702900000000, 0.0000355600000000, 0.0016239400000000 ] - [ -0.0007536200000000, 0.0000348600000000, 0.0016194100000000 ] - [ -0.0007813700000000, 0.0000282400000000, 0.0015589400000000 ] - [ -0.0007710900000000, 0.0000305400000000, 0.0015635400000000 ] - [ 0.0016804900000000, -0.0000162000000000, -0.0002718100000000 ] - [ 0.0016757300000000, 0.0000109700000000, -0.0002822900000000 ] - [ 0.0016805300000000, 0.0000286900000000, -0.0003464900000000 ] - [ 0.0016854600000000, 0.0000241800000000, -0.0003442100000000 ] - [ 0.0016679900000000, 0.0006128400000000, 0.0000230800000000 ] - [ 0.0020550900000000, 0.0003962300000000, -0.0003803000000000 ] - [ 0.0016982800000000, -0.0002569000000000, -0.0007035800000000 ] - [ 0.0014681000000000, -0.0003823100000000, -0.0005662800000000 ] - [ -0.0038225800000000, -0.0024823200000000, 0.0032502400000000 ] - [ -0.0015479600000000, 0.0002338300000000, 0.0001923600000000 ] - [ -0.0019001600000000, -0.0000996700000000, -0.0011157300000000 ] - [ -0.0017406700000000, -0.0000162600000000, -0.0005513300000000 ] - [ -0.0016622700000000, -0.0000766500000000, -0.0002916400000000 ] - [ -0.0016090500000000, -0.0000952900000000, -0.0002860700000000 ] - [ -0.0017364900000000, 0.0000646100000000, -0.0003591400000000 ] - [ -0.0017026300000000, 0.0000179100000000, -0.0003303000000000 ] - [ -0.0023913500000000, 0.0039693300000000, 0.0058115000000000 ] - [ 0.0003718700000000, -0.0002821400000000, 0.0024122000000000 ] - [ 0.0009142000000000, 0.0002272800000000, 0.0008334900000000 ] - [ 0.0009430000000000, 0.0000714700000000, 0.0011651600000000 ] - [ 0.0007574400000000, -0.0000314400000000, 0.0016139400000000 ] - [ 0.0007691300000000, -0.0000275100000000, 0.0016045800000000 ] - [ 0.0007751300000000, -0.0000308000000000, 0.0015699900000000 ] - [ 0.0007711400000000, -0.0000363900000000, 0.0015721200000000 ] - [ -0.0010706800000000, -0.0015082900000000, -0.0005202200000000 ] - [ -0.0007482600000000, -0.0010709200000000, -0.0003911400000000 ] - [ -0.0010220600000000, -0.0011499600000000, -0.0008264100000000 ] - [ -0.0010240800000000, -0.0011937900000000, -0.0007924400000000 ] - [ -0.0010401100000000, 0.0013758900000000, -0.0005798800000000 ] - [ -0.0009563200000000, 0.0012898900000000, -0.0006031400000000 ] - [ -0.0009677800000000, 0.0011194000000000, -0.0007486800000000 ] - [ -0.0009752500000000, 0.0011564600000000, -0.0007038300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000692600000000, 0.0010676700000000, 0.0000634400000000 ] - [ 0.0000655100000000, 0.0010340800000000, 0.0000240700000000 ] - [ -0.0000457000000000, 0.0010995000000000, -0.0000529400000000 ] - [ 0.0000561700000000, 0.0010653900000000, -0.0000479900000000 ] - [ -0.0000283000000000, -0.0008691700000000, 0.0000168300000000 ] - [ 0.0000299900000000, -0.0008468400000000, 0.0000022300000000 ] - [ -0.0000167800000000, -0.0008803900000000, -0.0000096800000000 ] - [ 0.0000201500000000, -0.0008747400000000, -0.0000146200000000 ] - [ 0.0003545100000000, 0.0006210000000000, 0.0002216500000000 ] - [ -0.0006110600000000, 0.0016515400000000, -0.0004459100000000 ] - [ 0.0000646000000000, 0.0008240300000000, -0.0000728900000000 ] - [ -0.0002070100000000, 0.0009184000000000, 0.0001765000000000 ] - [ 0.0041105200000000, -0.0067708500000000, 0.0036592000000000 ] - [ -0.0005405600000000, -0.0013813000000000, 0.0002381500000000 ] - [ 0.0000956800000000, -0.0011032000000000, -0.0000401800000000 ] - [ -0.0002218500000000, -0.0012500700000000, -0.0001585000000000 ] - [ -0.0006325600000000, 0.0011001400000000, 0.0003569700000000 ] - [ 0.0072658300000000, 0.0021677800000000, 0.0082793500000000 ] - [ -0.0003419500000000, 0.0011407600000000, -0.0003425600000000 ] - [ 0.0005369800000000, 0.0008970100000000, 0.0001579000000000 ] - [ -0.0003361000000000, 0.0009730300000000, 0.0002404100000000 ] - [ 0.0002925100000000, 0.0008683900000000, -0.0000820400000000 ] - [ -0.0001054900000000, 0.0007424000000000, -0.0000333300000000 ] - [ 0.0001192700000000, 0.0007027200000000, -0.0000326600000000 ] - [ -0.0000798200000000, -0.0006265300000000, 0.0000332300000000 ] - [ 0.0000841100000000, -0.0005833700000000, -0.0000505800000000 ] - [ -0.0000490500000000, -0.0006515800000000, 0.0000134600000000 ] - [ 0.0000484600000000, -0.0006373200000000, 0.0000213600000000 ] - [ -0.0005926500000000, -0.0016078600000000, -0.0001162300000000 ] - [ 0.0063005500000000, -0.0072151900000000, -0.0034288900000000 ] - [ -0.0001437700000000, -0.0013393200000000, -0.0000650800000000 ] - [ 0.0002243700000000, -0.0011361100000000, -0.0002396800000000 ] - [ 0.0001564800000000, -0.0004814300000000, 0.0004179400000000 ] - [ -0.0003026500000000, -0.0010860900000000, -0.0001334300000000 ] - [ 0.0001207100000000, -0.0005832200000000, -0.0003805100000000 ] - [ -0.0000786100000000, -0.0007941600000000, -0.0000501500000000 ] - [ 0.0001325100000000, 0.0007532300000000, 0.0000820300000000 ] - [ -0.0001918800000000, 0.0009356600000000, -0.0000505500000000 ] - [ 0.0000372400000000, 0.0007227400000000, -0.0000179300000000 ] - [ -0.0000484500000000, 0.0008013400000000, -0.0000777500000000 ] - [ 0.0000111400000000, 0.0013171600000000, 0.0000129700000000 ] - [ -0.0000099600000000, 0.0013241500000000, 0.0000016700000000 ] - [ 0.0000076100000000, 0.0013152500000000, -0.0000088600000000 ] - [ -0.0000094600000000, 0.0013166100000000, -0.0000053500000000 ] - [ 0.0000210500000000, -0.0010868800000000, 0.0000123400000000 ] - [ -0.0000133200000000, -0.0011347000000000, 0.0000060100000000 ] - [ 0.0000088400000000, -0.0011469000000000, -0.0000063100000000 ] - [ -0.0000115300000000, -0.0011662700000000, -0.0000098500000000 ] - [ -0.0245801900000000, 0.0124928600000000, -0.0096505800000000 ] - [ 0.0012911300000000, -0.0012612600000000, 0.0007056500000000 ] - [ 0.0008987100000000, -0.0011192300000000, 0.0007085800000000 ] - [ 0.0010730000000000, -0.0011941400000000, 0.0007509900000000 ] - [ 0.0005654800000000, 0.0009812800000000, 0.0007470400000000 ] - [ 0.0012597600000000, 0.0013806200000000, 0.0006827200000000 ] - [ 0.0005674200000000, 0.0015182500000000, 0.0007136200000000 ] - [ 0.0012596000000000, 0.0013796100000000, 0.0007342300000000 ] - [ -0.0010954900000000, -0.0004716600000000, -0.0017558500000000 ] - [ -0.0005334200000000, 0.0001821600000000, -0.0016855900000000 ] - [ -0.0008276500000000, 0.0000077600000000, -0.0014831700000000 ] - [ -0.0007033000000000, 0.0001024400000000, -0.0015596200000000 ] - [ -0.0008103800000000, -0.0000191200000000, -0.0015762900000000 ] - [ -0.0006078600000000, -0.0002424600000000, -0.0015040700000000 ] - [ -0.0007957000000000, -0.0000187500000000, -0.0016024000000000 ] - [ -0.0006750100000000, -0.0000917600000000, -0.0016438400000000 ] - [ 0.0016811500000000, -0.0000664600000000, 0.0002910200000000 ] - [ 0.0017309200000000, -0.0000552100000000, 0.0002941300000000 ] - [ 0.0016786500000000, -0.0000121200000000, 0.0003184700000000 ] - [ 0.0017078900000000, -0.0000172000000000, 0.0003313400000000 ] - [ 0.0016440000000000, -0.0000682400000000, 0.0003130000000000 ] - [ 0.0016601400000000, -0.0000647900000000, 0.0003142600000000 ] - [ 0.0016443600000000, -0.0000636200000000, 0.0003048800000000 ] - [ 0.0016617600000000, -0.0000569300000000, 0.0003108600000000 ] - [ -0.0021314500000000, 0.0003050700000000, 0.0001725600000000 ] - [ -0.0014868300000000, -0.0000588700000000, 0.0002661000000000 ] - [ -0.0020526800000000, 0.0000888300000000, 0.0008613000000000 ] - [ -0.0015387300000000, -0.0000086900000000, 0.0002354800000000 ] - [ -0.0021359900000000, -0.0001039000000000, 0.0004496100000000 ] - [ -0.0014061100000000, 0.0001132900000000, 0.0001838500000000 ] - [ -0.0017319000000000, -0.0000081600000000, 0.0003668800000000 ] - [ -0.0016120900000000, 0.0000528000000000, 0.0002922700000000 ] - [ 0.0006876000000000, -0.0000819300000000, -0.0016534500000000 ] - [ 0.0008307700000000, 0.0000158200000000, -0.0015539900000000 ] - [ 0.0006698600000000, -0.0001337200000000, -0.0015750200000000 ] - [ 0.0008656800000000, -0.0000559700000000, -0.0015161700000000 ] - [ 0.0007527100000000, -0.0000032400000000, -0.0016067100000000 ] - [ 0.0008205500000000, -0.0000369400000000, -0.0015767500000000 ] - [ 0.0007619000000000, 0.0000100400000000, -0.0015930900000000 ] - [ 0.0007969300000000, -0.0000089700000000, -0.0015713200000000 ] - [ -0.0009841700000000, 0.0011907200000000, 0.0006603900000000 ] - [ -0.0009655000000000, 0.0011797800000000, 0.0006526700000000 ] - [ -0.0009834200000000, 0.0011777300000000, 0.0006718500000000 ] - [ -0.0009660100000000, 0.0011744900000000, 0.0006590000000000 ] - [ -0.0010196500000000, -0.0012858900000000, 0.0006516600000000 ] - [ -0.0010023000000000, -0.0012703300000000, 0.0006488100000000 ] - [ -0.0010144800000000, -0.0012691700000000, 0.0006626900000000 ] - [ -0.0010077000000000, -0.0012630600000000, 0.0006595100000000 ] - [ 0.0010127700000000, -0.0012833500000000, -0.0006540500000000 ] - [ 0.0010132200000000, -0.0012746500000000, -0.0006583300000000 ] - [ 0.0010072300000000, -0.0012673900000000, -0.0006567900000000 ] - [ 0.0010080700000000, -0.0012648100000000, -0.0006536400000000 ] - [ 0.0009782900000000, 0.0011738600000000, -0.0006742400000000 ] - [ 0.0009785100000000, 0.0011847100000000, -0.0006669200000000 ] - [ 0.0009706700000000, 0.0011802100000000, -0.0006511400000000 ] - [ 0.0009696500000000, 0.0011841600000000, -0.0006500000000000 ] - [ -0.0006913500000000, -0.0001502100000000, 0.0015447400000000 ] - [ -0.0008712500000000, 0.0000453800000000, 0.0015140400000000 ] - [ -0.0006910100000000, -0.0000996600000000, 0.0016742600000000 ] - [ -0.0007727100000000, -0.0000199600000000, 0.0016025800000000 ] - [ -0.0007689900000000, 0.0000166700000000, 0.0015867300000000 ] - [ -0.0008151900000000, -0.0000618500000000, 0.0015657000000000 ] - [ -0.0007553900000000, 0.0000081300000000, 0.0016022200000000 ] - [ -0.0007914100000000, -0.0000248500000000, 0.0016000300000000 ] - [ 0.0015998800000000, 0.0001582100000000, -0.0003009200000000 ] - [ 0.0022441400000000, -0.0005339800000000, -0.0006142700000000 ] - [ 0.0016508400000000, 0.0000454400000000, -0.0003127700000000 ] - [ 0.0016648400000000, -0.0000523500000000, -0.0001813700000000 ] - [ 0.0020826900000000, -0.0001109500000000, -0.0008685400000000 ] - [ 0.0025018700000000, 0.0008412500000000, -0.0002896700000000 ] - [ 0.0017042800000000, 0.0000458700000000, -0.0002016600000000 ] - [ 0.0016793400000000, 0.0000690100000000, -0.0002866100000000 ] - [ -0.0017087200000000, -0.0001029600000000, -0.0003072100000000 ] - [ -0.0017126300000000, -0.0000328300000000, -0.0003126900000000 ] - [ -0.0016844800000000, -0.0000205400000000, -0.0003094100000000 ] - [ -0.0016950000000000, -0.0000010100000000, -0.0003138200000000 ] - [ -0.0016500500000000, -0.0000589900000000, -0.0003129600000000 ] - [ -0.0016524100000000, -0.0000804400000000, -0.0003119600000000 ] - [ -0.0016526800000000, -0.0000544300000000, -0.0003069200000000 ] - [ -0.0016567600000000, -0.0000601700000000, -0.0003133900000000 ] - [ 0.0015198000000000, -0.0010710200000000, 0.0021269300000000 ] - [ 0.0006935600000000, 0.0001466500000000, 0.0015634100000000 ] - [ 0.0007857500000000, 0.0000201300000000, 0.0015013300000000 ] - [ 0.0006988300000000, 0.0001189900000000, 0.0016605600000000 ] - [ 0.0007481400000000, -0.0000188200000000, 0.0015949800000000 ] - [ 0.0006944900000000, -0.0001985200000000, 0.0015808700000000 ] - [ 0.0007657500000000, -0.0000193700000000, 0.0015989200000000 ] - [ 0.0007516100000000, -0.0000682300000000, 0.0015905600000000 ] - [ -0.0004958900000000, -0.0008295600000000, -0.0003216700000000 ] - [ -0.0004197900000000, -0.0008805900000000, -0.0015689600000000 ] - [ -0.0009483900000000, -0.0011312300000000, -0.0007443000000000 ] - [ -0.0005653200000000, -0.0013150600000000, 0.0000804100000000 ] - [ 0.0009875900000000, 0.0021558600000000, -0.0011901400000000 ] - [ 0.0040051900000000, -0.0019011500000000, 0.0012840100000000 ] - [ -0.0009857900000000, 0.0013110500000000, -0.0005756300000000 ] - [ -0.0010507400000000, 0.0012351500000000, -0.0006331000000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000695500000000, 0.0008716400000000, -0.0000631700000000 ] - [ -0.0000655000000000, 0.0009063400000000, -0.0000241300000000 ] - [ 0.0000457400000000, 0.0008403400000000, 0.0000530600000000 ] - [ -0.0000566400000000, 0.0008739200000000, 0.0000487600000000 ] - [ 0.0000279500000000, -0.0010714500000000, -0.0000168800000000 ] - [ -0.0000300100000000, -0.0010937000000000, -0.0000022900000000 ] - [ 0.0000161500000000, -0.0010599200000000, 0.0000096500000000 ] - [ -0.0000199900000000, -0.0010656300000000, 0.0000139300000000 ] - [ -0.0003588700000000, 0.0013178100000000, -0.0002202300000000 ] - [ 0.0006123800000000, 0.0002900000000000, 0.0004454100000000 ] - [ -0.0000671300000000, 0.0011155500000000, 0.0000729100000000 ] - [ 0.0002082500000000, 0.0010223500000000, -0.0001757400000000 ] - [ -0.0041657500000000, 0.0049688700000000, -0.0037490200000000 ] - [ 0.0005448900000000, -0.0005570200000000, -0.0002382200000000 ] - [ -0.0000974000000000, -0.0008360200000000, 0.0000409800000000 ] - [ 0.0002225400000000, -0.0006893000000000, 0.0001591000000000 ] - [ 0.0006342500000000, 0.0013539200000000, -0.0003583000000000 ] - [ -0.0071863500000000, 0.0003260600000000, -0.0080546200000000 ] - [ 0.0003434100000000, 0.0013137500000000, 0.0003453700000000 ] - [ -0.0005368800000000, 0.0015591400000000, -0.0001587600000000 ] - [ 0.0003374200000000, 0.0004549800000000, -0.0002407000000000 ] - [ -0.0002937100000000, 0.0005620400000000, 0.0000821800000000 ] - [ 0.0001039100000000, 0.0006873300000000, 0.0000332200000000 ] - [ -0.0001177700000000, 0.0007278800000000, 0.0000323800000000 ] - [ 0.0000806600000000, -0.0008043800000000, -0.0000317700000000 ] - [ -0.0000831900000000, -0.0008462100000000, 0.0000500000000000 ] - [ 0.0000490300000000, -0.0007778000000000, -0.0000128400000000 ] - [ -0.0000499600000000, -0.0007955900000000, -0.0000198700000000 ] - [ 0.0005938000000000, -0.0008440600000000, 0.0001177000000000 ] - [ -0.0062280300000000, 0.0045933700000000, 0.0033129000000000 ] - [ 0.0001426100000000, -0.0011137800000000, 0.0000644100000000 ] - [ -0.0002231800000000, -0.0013188600000000, 0.0002411800000000 ] - [ -0.0001595600000000, -0.0009495400000000, -0.0004206700000000 ] - [ 0.0003043600000000, -0.0003400400000000, 0.0001343600000000 ] - [ -0.0001223900000000, -0.0008464100000000, 0.0003825100000000 ] - [ 0.0000784700000000, -0.0006357700000000, 0.0000507400000000 ] - [ -0.0001355000000000, 0.0006750300000000, -0.0000841900000000 ] - [ 0.0001917100000000, 0.0004942800000000, 0.0000518400000000 ] - [ -0.0000410700000000, 0.0007072200000000, 0.0000174600000000 ] - [ 0.0000485000000000, 0.0006277700000000, 0.0000769800000000 ] - [ -0.0000117400000000, 0.0011360700000000, -0.0000125600000000 ] - [ 0.0000095100000000, 0.0011311900000000, -0.0000015500000000 ] - [ -0.0000082100000000, 0.0011381400000000, 0.0000090400000000 ] - [ 0.0000094200000000, 0.0011384600000000, 0.0000052900000000 ] - [ -0.0000203500000000, -0.0013669800000000, -0.0000133000000000 ] - [ 0.0000130100000000, -0.0013209400000000, -0.0000061500000000 ] - [ -0.0000086900000000, -0.0013064600000000, 0.0000059800000000 ] - [ 0.0000123600000000, -0.0012899300000000, 0.0000095000000000 ] - [ 0.0264476000000000, -0.0148910200000000, 0.0109118000000000 ] - [ 0.0006930300000000, -0.0011901200000000, 0.0006102100000000 ] - [ 0.0010868500000000, -0.0013338000000000, 0.0006072700000000 ] - [ 0.0009117300000000, -0.0012581300000000, 0.0005649500000000 ] - [ 0.0014187800000000, 0.0014737600000000, 0.0005607800000000 ] - [ 0.0007253400000000, 0.0010712000000000, 0.0006346000000000 ] - [ 0.0014203500000000, 0.0009369500000000, 0.0006091700000000 ] - [ 0.0007250100000000, 0.0010715300000000, 0.0005814400000000 ] - [ -0.0004251800000000, 0.0005374400000000, -0.0014211300000000 ] - [ -0.0009914500000000, -0.0001167500000000, -0.0014909100000000 ] - [ -0.0006960100000000, 0.0000578400000000, -0.0016936400000000 ] - [ -0.0008210800000000, -0.0000370800000000, -0.0016168600000000 ] - [ -0.0007132800000000, -0.0000462400000000, -0.0016004400000000 ] - [ -0.0009145600000000, 0.0001755600000000, -0.0016718800000000 ] - [ -0.0007271500000000, -0.0000469500000000, -0.0015742600000000 ] - [ -0.0008483000000000, 0.0000257600000000, -0.0015332200000000 ] - [ 0.0016696900000000, 0.0000962500000000, 0.0003298300000000 ] - [ 0.0016188900000000, 0.0000858200000000, 0.0003267400000000 ] - [ 0.0016714700000000, 0.0000421300000000, 0.0003023400000000 ] - [ 0.0016413600000000, 0.0000477000000000, 0.0002889600000000 ] - [ 0.0017054200000000, 0.0000380800000000, 0.0003078600000000 ] - [ 0.0016900700000000, 0.0000345200000000, 0.0003062000000000 ] - [ 0.0017061300000000, 0.0000338400000000, 0.0003162700000000 ] - [ 0.0016880500000000, 0.0000265500000000, 0.0003096700000000 ] - [ -0.0012164000000000, -0.0003390700000000, 0.0004450400000000 ] - [ -0.0018639000000000, 0.0000290100000000, 0.0003550000000000 ] - [ -0.0012951800000000, -0.0001213700000000, -0.0002420200000000 ] - [ -0.0018119600000000, -0.0000212900000000, 0.0003851600000000 ] - [ -0.0012116900000000, 0.0001432100000000, 0.0001723000000000 ] - [ -0.0019449100000000, -0.0000838900000000, 0.0004367900000000 ] - [ -0.0016180600000000, 0.0000385200000000, 0.0002536500000000 ] - [ -0.0017379000000000, -0.0000231400000000, 0.0003284700000000 ] - [ 0.0008359200000000, 0.0000165000000000, -0.0015237200000000 ] - [ 0.0006922300000000, -0.0000815000000000, -0.0016227100000000 ] - [ 0.0008531600000000, 0.0000682100000000, -0.0016015800000000 ] - [ 0.0006561200000000, -0.0000098800000000, -0.0016606200000000 ] - [ 0.0007703000000000, 0.0000693000000000, -0.0015709000000000 ] - [ 0.0007027900000000, 0.0001024000000000, -0.0016002200000000 ] - [ 0.0007607800000000, 0.0000560300000000, -0.0015836700000000 ] - [ 0.0007264200000000, 0.0000752500000000, -0.0016059200000000 ] - [ -0.0010011100000000, 0.0012612300000000, 0.0006555200000000 ] - [ -0.0010192100000000, 0.0012715400000000, 0.0006640300000000 ] - [ -0.0010011700000000, 0.0012743000000000, 0.0006444500000000 ] - [ -0.0010189200000000, 0.0012777400000000, 0.0006568600000000 ] - [ -0.0009649700000000, -0.0011650300000000, 0.0006643300000000 ] - [ -0.0009815900000000, -0.0011812900000000, 0.0006670600000000 ] - [ -0.0009698000000000, -0.0011828400000000, 0.0006532700000000 ] - [ -0.0009784600000000, -0.0011892600000000, 0.0006566000000000 ] - [ 0.0009717400000000, -0.0011685300000000, -0.0006621200000000 ] - [ 0.0009716700000000, -0.0011771700000000, -0.0006584500000000 ] - [ 0.0009767800000000, -0.0011844100000000, -0.0006595500000000 ] - [ 0.0009770800000000, -0.0011870400000000, -0.0006622900000000 ] - [ 0.0010067900000000, 0.0012777200000000, -0.0006412000000000 ] - [ 0.0010064900000000, 0.0012669000000000, -0.0006493300000000 ] - [ 0.0010140000000000, 0.0012717200000000, -0.0006647000000000 ] - [ 0.0010140700000000, 0.0012680100000000, -0.0006663800000000 ] - [ -0.0008319600000000, 0.0000850500000000, 0.0016318700000000 ] - [ -0.0006528600000000, -0.0001114200000000, 0.0016625600000000 ] - [ -0.0008317700000000, 0.0000339400000000, 0.0015026900000000 ] - [ -0.0007509300000000, -0.0000461300000000, 0.0015749000000000 ] - [ -0.0007540800000000, 0.0000491500000000, 0.0015900900000000 ] - [ -0.0007086800000000, 0.0001274400000000, 0.0016106500000000 ] - [ -0.0007681400000000, 0.0000579100000000, 0.0015746500000000 ] - [ -0.0007320800000000, 0.0000906600000000, 0.0015772700000000 ] - [ 0.0017514900000000, -0.0001291100000000, -0.0003201700000000 ] - [ 0.0011051900000000, 0.0005667200000000, -0.0000055500000000 ] - [ 0.0016999800000000, -0.0000153000000000, -0.0003081200000000 ] - [ 0.0016842500000000, 0.0000828000000000, -0.0004390600000000 ] - [ 0.0012617100000000, 0.0000834200000000, 0.0002506700000000 ] - [ 0.0008506500000000, -0.0008704900000000, -0.0003288000000000 ] - [ 0.0016460600000000, -0.0000761900000000, -0.0004198400000000 ] - [ 0.0016706300000000, -0.0000999200000000, -0.0003343100000000 ] - [ -0.0016420000000000, 0.0001338000000000, -0.0003138300000000 ] - [ -0.0016381000000000, 0.0000628900000000, -0.0003081600000000 ] - [ -0.0016659900000000, 0.0000513000000000, -0.0003121200000000 ] - [ -0.0016550700000000, 0.0000314500000000, -0.0003071600000000 ] - [ -0.0017005700000000, 0.0000289200000000, -0.0003080600000000 ] - [ -0.0016981500000000, 0.0000501600000000, -0.0003095500000000 ] - [ -0.0016984400000000, 0.0000243000000000, -0.0003139700000000 ] - [ -0.0016934300000000, 0.0000302100000000, -0.0003073000000000 ] - [ -0.0000013400000000, 0.0011430100000000, 0.0010471700000000 ] - [ 0.0008283900000000, -0.0000809100000000, 0.0016133600000000 ] - [ 0.0007377300000000, 0.0000451700000000, 0.0016756300000000 ] - [ 0.0008235700000000, -0.0000536700000000, 0.0015159000000000 ] - [ 0.0007752700000000, -0.0000467600000000, 0.0015814900000000 ] - [ 0.0008278600000000, 0.0001324600000000, 0.0015956900000000 ] - [ 0.0007583100000000, -0.0000465900000000, 0.0015779100000000 ] - [ 0.0007715100000000, 0.0000020500000000, 0.0015860600000000 ] - [ -0.0014920700000000, -0.0016229300000000, -0.0009967700000000 ] - [ -0.0015588500000000, -0.0015738600000000, 0.0002467600000000 ] - [ -0.0010361700000000, -0.0013210100000000, -0.0005714100000000 ] - [ -0.0014203400000000, -0.0011378200000000, -0.0013994500000000 ] - [ -0.0030182400000000, 0.0002724800000000, -0.0001113200000000 ] - [ -0.0059055200000000, 0.0042993800000000, -0.0025668600000000 ] - [ -0.0009988400000000, 0.0011403500000000, -0.0007410300000000 ] - [ -0.0009348500000000, 0.0012167000000000, -0.0006833000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000560700000000, 0.0007357000000000, -0.0000680300000000 ] - [ -0.0000528600000000, 0.0007026000000000, -0.0000627700000000 ] - [ 0.0000385500000000, 0.0007553500000000, 0.0000630900000000 ] - [ -0.0000523900000000, 0.0007656300000000, 0.0000642400000000 ] - [ -0.0000032600000000, -0.0012558600000000, -0.0000079800000000 ] - [ 0.0000297400000000, -0.0013245900000000, -0.0000349000000000 ] - [ -0.0000005900000000, -0.0011963300000000, 0.0000076700000000 ] - [ -0.0000016700000000, -0.0012058100000000, 0.0000104800000000 ] - [ -0.0006323100000000, 0.0008495700000000, 0.0007336500000000 ] - [ 0.0003897500000000, 0.0006637400000000, 0.0004035800000000 ] - [ -0.0002990400000000, 0.0009475300000000, -0.0002419700000000 ] - [ 0.0002265800000000, 0.0011523700000000, -0.0003183200000000 ] - [ -0.0065734000000000, 0.0074092200000000, -0.0049794900000000 ] - [ -0.0000462400000000, -0.0003728200000000, 0.0002814500000000 ] - [ 0.0001069900000000, -0.0005859900000000, -0.0002852000000000 ] - [ 0.0000175600000000, -0.0007143400000000, -0.0000899800000000 ] - [ 0.0002854800000000, 0.0019418000000000, -0.0000363600000000 ] - [ 0.0010488500000000, 0.0033747900000000, 0.0025284200000000 ] - [ 0.0001544100000000, 0.0015178700000000, 0.0001177100000000 ] - [ -0.0000966600000000, 0.0020228400000000, -0.0001872100000000 ] - [ 0.0002964400000000, 0.0003680000000000, -0.0001533600000000 ] - [ -0.0003838600000000, 0.0002909200000000, 0.0002798000000000 ] - [ 0.0000883200000000, 0.0006112900000000, -0.0000270400000000 ] - [ -0.0000829300000000, 0.0005999400000000, -0.0000761900000000 ] - [ -0.0000199100000000, -0.0009161300000000, 0.0000631900000000 ] - [ 0.0000195800000000, -0.0009587200000000, 0.0001515600000000 ] - [ -0.0000021200000000, -0.0008702000000000, -0.0000683300000000 ] - [ 0.0000381900000000, -0.0009340500000000, -0.0001029800000000 ] - [ 0.0001062200000000, -0.0007579700000000, -0.0001783300000000 ] - [ -0.0049152300000000, 0.0053886600000000, 0.0037298100000000 ] - [ 0.0000485800000000, -0.0009379500000000, 0.0000338100000000 ] - [ 0.0001466800000000, -0.0009680200000000, 0.0001122300000000 ] - [ 0.0002605300000000, -0.0010782200000000, -0.0004343400000000 ] - [ -0.0001374700000000, -0.0008368900000000, -0.0001661500000000 ] - [ -0.0000708800000000, -0.0007795600000000, 0.0003855300000000 ] - [ 0.0000131900000000, -0.0005936500000000, 0.0001040300000000 ] - [ -0.0005888600000000, 0.0001697100000000, -0.0003712500000000 ] - [ 0.0002520800000000, 0.0003743800000000, 0.0001024300000000 ] - [ -0.0000536000000000, 0.0006367400000000, 0.0000347100000000 ] - [ 0.0000406300000000, 0.0006488900000000, 0.0000374500000000 ] - [ -0.0000065800000000, 0.0009648900000000, 0.0000091900000000 ] - [ 0.0000170100000000, 0.0009484200000000, 0.0000012300000000 ] - [ -0.0000132100000000, 0.0009799000000000, 0.0000022300000000 ] - [ 0.0000080800000000, 0.0009721600000000, -0.0000043400000000 ] - [ 0.0000036000000000, -0.0015045900000000, 0.0000043000000000 ] - [ 0.0000046200000000, -0.0014285400000000, 0.0000080400000000 ] - [ 0.0000017500000000, -0.0014007700000000, -0.0000109200000000 ] - [ -0.0000048500000000, -0.0013730400000000, -0.0000066900000000 ] - [ 0.0146859500000000, -0.0229077700000000, -0.0006577800000000 ] - [ 0.0009465200000000, -0.0014354400000000, 0.0006171600000000 ] - [ 0.0010902300000000, -0.0014949800000000, 0.0007002300000000 ] - [ 0.0010172100000000, -0.0013522500000000, 0.0006312200000000 ] - [ 0.0006979600000000, 0.0011553900000000, -0.0003328900000000 ] - [ 0.0008313700000000, 0.0010187000000000, 0.0005698300000000 ] - [ 0.0012285800000000, 0.0011497000000000, 0.0019776000000000 ] - [ 0.0008288700000000, 0.0010191300000000, 0.0006690500000000 ] - [ -0.0005867200000000, 0.0008022500000000, -0.0014826000000000 ] - [ -0.0008398500000000, -0.0000390800000000, -0.0016188300000000 ] - [ -0.0007515900000000, 0.0000427700000000, -0.0016415900000000 ] - [ -0.0008124500000000, -0.0000256700000000, -0.0015943900000000 ] - [ -0.0007594600000000, 0.0000471700000000, -0.0016912900000000 ] - [ -0.0008477700000000, 0.0000977300000000, -0.0016657800000000 ] - [ -0.0008189000000000, 0.0000644700000000, -0.0014386600000000 ] - [ -0.0008729000000000, 0.0000552900000000, -0.0015098100000000 ] - [ 0.0016127600000000, 0.0002348100000000, 0.0003218000000000 ] - [ 0.0016052700000000, 0.0001462400000000, 0.0003312400000000 ] - [ 0.0016480400000000, 0.0001039100000000, 0.0003292900000000 ] - [ 0.0016344600000000, 0.0000942600000000, 0.0003172700000000 ] - [ 0.0017463600000000, 0.0001180900000000, 0.0003001800000000 ] - [ 0.0017325700000000, 0.0000986500000000, 0.0003098200000000 ] - [ 0.0017502100000000, 0.0001196400000000, 0.0003413800000000 ] - [ 0.0017355300000000, 0.0000974300000000, 0.0003332700000000 ] - [ -0.0017675500000000, 0.0001566700000000, 0.0010696300000000 ] - [ -0.0016412900000000, -0.0001499400000000, 0.0004134600000000 ] - [ -0.0013149200000000, -0.0002748200000000, -0.0002042600000000 ] - [ -0.0016830200000000, -0.0001240400000000, 0.0003068500000000 ] - [ -0.0008261000000000, 0.0025886500000000, 0.0003940100000000 ] - [ -0.0018235100000000, -0.0000505000000000, 0.0003685700000000 ] - [ -0.0016777300000000, 0.0000132700000000, 0.0003393500000000 ] - [ -0.0017500400000000, -0.0000464600000000, 0.0003693300000000 ] - [ 0.0008872600000000, 0.0001171000000000, -0.0014951600000000 ] - [ 0.0008092100000000, 0.0000308300000000, -0.0015637200000000 ] - [ 0.0008468600000000, 0.0000983600000000, -0.0016711400000000 ] - [ 0.0006937000000000, 0.0000262100000000, -0.0016844900000000 ] - [ 0.0006571700000000, 0.0003250900000000, -0.0016251400000000 ] - [ 0.0007003200000000, 0.0001470500000000, -0.0016118200000000 ] - [ 0.0007495700000000, 0.0000987500000000, -0.0015762300000000 ] - [ 0.0007446300000000, 0.0000929200000000, -0.0015886100000000 ] - [ -0.0010360200000000, 0.0013299300000000, 0.0006573100000000 ] - [ -0.0010422400000000, 0.0013244700000000, 0.0006567700000000 ] - [ -0.0010195900000000, 0.0013287200000000, 0.0006281800000000 ] - [ -0.0010336700000000, 0.0013227900000000, 0.0006391500000000 ] - [ -0.0009250400000000, -0.0010602200000000, 0.0006575000000000 ] - [ -0.0009429300000000, -0.0010936200000000, 0.0006585400000000 ] - [ -0.0009431800000000, -0.0011068100000000, 0.0006552000000000 ] - [ -0.0009508500000000, -0.0011165700000000, 0.0006564600000000 ] - [ 0.0009405600000000, -0.0010818200000000, -0.0006613300000000 ] - [ 0.0009274300000000, -0.0010823500000000, -0.0006512600000000 ] - [ 0.0009498000000000, -0.0011094700000000, -0.0006556900000000 ] - [ 0.0009425700000000, -0.0011093600000000, -0.0006553900000000 ] - [ 0.0010257800000000, 0.0013354500000000, -0.0006334500000000 ] - [ 0.0010392400000000, 0.0013400900000000, -0.0006448000000000 ] - [ 0.0010276100000000, 0.0013143800000000, -0.0006508500000000 ] - [ 0.0010325400000000, 0.0013152200000000, -0.0006531800000000 ] - [ -0.0009088000000000, 0.0001541700000000, 0.0016207900000000 ] - [ -0.0007258800000000, 0.0000614500000000, 0.0016593400000000 ] - [ -0.0008523400000000, 0.0000599300000000, 0.0015193900000000 ] - [ -0.0007674800000000, -0.0000064400000000, 0.0015996000000000 ] - [ -0.0006575300000000, 0.0001714900000000, 0.0016575500000000 ] - [ -0.0007127100000000, 0.0001812700000000, 0.0016200100000000 ] - [ -0.0007438800000000, 0.0001003800000000, 0.0015735100000000 ] - [ -0.0007586700000000, 0.0000990400000000, 0.0015594200000000 ] - [ 0.0018533600000000, -0.0001475800000000, -0.0002718800000000 ] - [ 0.0008576700000000, 0.0008382500000000, 0.0001155200000000 ] - [ 0.0017807900000000, -0.0000515200000000, -0.0004335200000000 ] - [ 0.0017007000000000, -0.0000048400000000, -0.0004124500000000 ] - [ 0.0011869700000000, -0.0001262800000000, 0.0001606800000000 ] - [ 0.0021762000000000, 0.0002006900000000, -0.0002226600000000 ] - [ 0.0015727300000000, -0.0001690500000000, -0.0003570600000000 ] - [ 0.0016225900000000, -0.0001704200000000, -0.0003041800000000 ] - [ -0.0016299700000000, 0.0001897700000000, -0.0003433600000000 ] - [ -0.0016043800000000, 0.0001518900000000, -0.0003516600000000 ] - [ -0.0016431000000000, 0.0001046900000000, -0.0003110600000000 ] - [ -0.0016214000000000, 0.0001057500000000, -0.0002958000000000 ] - [ -0.0017349800000000, 0.0001089400000000, -0.0003298800000000 ] - [ -0.0017579600000000, 0.0001315300000000, -0.0003376700000000 ] - [ -0.0017278400000000, 0.0000904700000000, -0.0003123400000000 ] - [ -0.0017405700000000, 0.0001019100000000, -0.0003110100000000 ] - [ 0.0000898000000000, 0.0011838100000000, 0.0010380900000000 ] - [ 0.0009125200000000, -0.0000707500000000, 0.0015012500000000 ] - [ 0.0006841000000000, 0.0000507100000000, 0.0017500400000000 ] - [ 0.0008010600000000, -0.0000132700000000, 0.0016640200000000 ] - [ 0.0009384000000000, 0.0000977500000000, 0.0014936200000000 ] - [ 0.0007812200000000, 0.0000817000000000, 0.0015535100000000 ] - [ 0.0008144200000000, 0.0000391900000000, 0.0016246500000000 ] - [ 0.0007586900000000, 0.0000141300000000, 0.0016401000000000 ] - [ -0.0013841600000000, -0.0017733600000000, -0.0008372600000000 ] - [ -0.0013352900000000, -0.0020231000000000, -0.0003430400000000 ] - [ -0.0010813500000000, -0.0014320300000000, -0.0006140300000000 ] - [ -0.0008976200000000, -0.0014332900000000, -0.0004370200000000 ] - [ -0.0000507400000000, 0.0010747000000000, -0.0008100300000000 ] - [ -0.0040774100000000, 0.0019894800000000, -0.0021728800000000 ] - [ -0.0009001600000000, 0.0010409000000000, -0.0006541000000000 ] - [ -0.0009773800000000, 0.0010886100000000, -0.0006053800000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000558300000000, 0.0012252400000000, 0.0000669800000000 ] - [ 0.0000526000000000, 0.0012576200000000, 0.0000650300000000 ] - [ -0.0000401400000000, 0.0012041900000000, -0.0000605700000000 ] - [ 0.0000514000000000, 0.0011941700000000, -0.0000632600000000 ] - [ 0.0000038200000000, -0.0007050000000000, 0.0000063100000000 ] - [ -0.0000293200000000, -0.0006315000000000, 0.0000326300000000 ] - [ 0.0000004500000000, -0.0007653800000000, -0.0000077500000000 ] - [ -0.0000020800000000, -0.0007518000000000, -0.0000103600000000 ] - [ 0.0006319100000000, 0.0011082200000000, -0.0007410300000000 ] - [ -0.0003884800000000, 0.0012930200000000, -0.0004034400000000 ] - [ 0.0002987400000000, 0.0010078000000000, 0.0002450600000000 ] - [ -0.0002294700000000, 0.0008032800000000, 0.0003192200000000 ] - [ 0.0063696200000000, -0.0092063000000000, 0.0048237100000000 ] - [ 0.0000475800000000, -0.0015843100000000, -0.0002888700000000 ] - [ -0.0001119800000000, -0.0013711200000000, 0.0002872700000000 ] - [ -0.0000126000000000, -0.0012402000000000, 0.0000897200000000 ] - [ -0.0002808600000000, 0.0004792900000000, 0.0000368800000000 ] - [ -0.0010680900000000, -0.0009988900000000, -0.0025544300000000 ] - [ -0.0001541500000000, 0.0009015100000000, -0.0001140000000000 ] - [ 0.0001055700000000, 0.0003996600000000, 0.0001905400000000 ] - [ -0.0002968200000000, 0.0010591600000000, 0.0001533900000000 ] - [ 0.0003819700000000, 0.0011322600000000, -0.0002832200000000 ] - [ -0.0000889000000000, 0.0008101300000000, 0.0000314000000000 ] - [ 0.0000816800000000, 0.0008305300000000, 0.0000751100000000 ] - [ 0.0000224400000000, -0.0005051600000000, -0.0000646400000000 ] - [ -0.0000237500000000, -0.0004628200000000, -0.0001507800000000 ] - [ 0.0000000000000000, -0.0005520700000000, 0.0000686500000000 ] - [ -0.0000375900000000, -0.0004915800000000, 0.0001067100000000 ] - [ -0.0001056200000000, -0.0016633100000000, 0.0001786600000000 ] - [ 0.0051132500000000, -0.0079900100000000, -0.0039004500000000 ] - [ -0.0000442400000000, -0.0014831700000000, -0.0000339500000000 ] - [ -0.0001498400000000, -0.0014570200000000, -0.0001081000000000 ] - [ -0.0002632900000000, -0.0003426400000000, 0.0004293800000000 ] - [ 0.0001399800000000, -0.0005890600000000, 0.0001636000000000 ] - [ 0.0000723400000000, -0.0006398400000000, -0.0003883500000000 ] - [ -0.0000092400000000, -0.0008259900000000, -0.0001023400000000 ] - [ 0.0005930200000000, 0.0012479900000000, 0.0003701600000000 ] - [ -0.0002575000000000, 0.0010477100000000, -0.0001038800000000 ] - [ 0.0000560900000000, 0.0007778500000000, -0.0000333300000000 ] - [ -0.0000385800000000, 0.0007737800000000, -0.0000345000000000 ] - [ 0.0000083900000000, 0.0014702700000000, -0.0000018700000000 ] - [ -0.0000122000000000, 0.0014606800000000, -0.0000050900000000 ] - [ 0.0000122500000000, 0.0014543900000000, 0.0000013300000000 ] - [ -0.0000081100000000, 0.0014409400000000, 0.0000039500000000 ] - [ -0.0000074300000000, -0.0009262800000000, -0.0000095300000000 ] - [ -0.0000021900000000, -0.0009867400000000, -0.0000079000000000 ] - [ 0.0000006800000000, -0.0010234100000000, 0.0000067400000000 ] - [ 0.0000026100000000, -0.0010376400000000, 0.0000060200000000 ] - [ -0.0126944800000000, 0.0205360900000000, 0.0023217900000000 ] - [ 0.0010263400000000, -0.0010012900000000, 0.0006895100000000 ] - [ 0.0008835900000000, -0.0009404400000000, 0.0006079200000000 ] - [ 0.0009583200000000, -0.0010837800000000, 0.0006763300000000 ] - [ 0.0012826900000000, 0.0012890600000000, 0.0016431700000000 ] - [ 0.0011448300000000, 0.0014173900000000, 0.0007380800000000 ] - [ 0.0007455100000000, 0.0012872800000000, -0.0006757700000000 ] - [ 0.0011451100000000, 0.0014174200000000, 0.0006401100000000 ] - [ -0.0009516800000000, -0.0007395100000000, -0.0017041900000000 ] - [ -0.0006986200000000, 0.0000925400000000, -0.0015674000000000 ] - [ -0.0007849400000000, 0.0000113600000000, -0.0015448300000000 ] - [ -0.0007259200000000, 0.0000790500000000, -0.0015919400000000 ] - [ -0.0007767900000000, -0.0001018200000000, -0.0014939100000000 ] - [ -0.0006899700000000, -0.0001511700000000, -0.0015193800000000 ] - [ -0.0007212400000000, -0.0001172800000000, -0.0017489700000000 ] - [ -0.0006639100000000, -0.0001091300000000, -0.0016771500000000 ] - [ 0.0017434100000000, -0.0002064600000000, 0.0003114300000000 ] - [ 0.0017553100000000, -0.0001200200000000, 0.0003064400000000 ] - [ 0.0017131900000000, -0.0000759100000000, 0.0003077200000000 ] - [ 0.0017274300000000, -0.0000672000000000, 0.0003206500000000 ] - [ 0.0016179400000000, -0.0001453100000000, 0.0003378500000000 ] - [ 0.0016268100000000, -0.0001255600000000, 0.0003260200000000 ] - [ 0.0016091800000000, -0.0001474900000000, 0.0002931200000000 ] - [ 0.0016252700000000, -0.0001236600000000, 0.0003034300000000 ] - [ -0.0015854400000000, -0.0001849400000000, -0.0004284400000000 ] - [ -0.0017214100000000, 0.0001221800000000, 0.0002247300000000 ] - [ -0.0020419700000000, 0.0002461500000000, 0.0008416600000000 ] - [ -0.0016793700000000, 0.0000965100000000, 0.0003326200000000 ] - [ -0.0025369400000000, -0.0026122300000000, 0.0002367900000000 ] - [ -0.0015355700000000, 0.0000795200000000, 0.0002688100000000 ] - [ -0.0016830000000000, 0.0000154900000000, 0.0002990900000000 ] - [ -0.0016098700000000, 0.0000738300000000, 0.0002686100000000 ] - [ 0.0006488000000000, -0.0001752700000000, -0.0016892600000000 ] - [ 0.0007283700000000, -0.0000850100000000, -0.0016204900000000 ] - [ 0.0006921000000000, -0.0001532500000000, -0.0015147000000000 ] - [ 0.0008445400000000, -0.0000808600000000, -0.0015028400000000 ] - [ 0.0008791300000000, -0.0002689600000000, -0.0015597300000000 ] - [ 0.0008358300000000, -0.0000909400000000, -0.0015739100000000 ] - [ 0.0007881900000000, -0.0000439000000000, -0.0016105200000000 ] - [ 0.0007929500000000, -0.0000358100000000, -0.0015972600000000 ] - [ -0.0009426200000000, 0.0011063200000000, 0.0006545400000000 ] - [ -0.0009392400000000, 0.0011133000000000, 0.0006526800000000 ] - [ -0.0009559200000000, 0.0011064300000000, 0.0006808100000000 ] - [ -0.0009452300000000, 0.0011132400000000, 0.0006675100000000 ] - [ -0.0010517700000000, -0.0013783900000000, 0.0006508200000000 ] - [ -0.0010354900000000, -0.0013418500000000, 0.0006516800000000 ] - [ -0.0010341300000000, -0.0013293800000000, 0.0006527000000000 ] - [ -0.0010277700000000, -0.0013208400000000, 0.0006514200000000 ] - [ 0.0010397100000000, -0.0013548500000000, -0.0006476700000000 ] - [ 0.0010485600000000, -0.0013548900000000, -0.0006586000000000 ] - [ 0.0010301100000000, -0.0013284200000000, -0.0006512900000000 ] - [ 0.0010323700000000, -0.0013284000000000, -0.0006519900000000 ] - [ 0.0009498400000000, 0.0010996800000000, -0.0006767300000000 ] - [ 0.0009392500000000, 0.0010997100000000, -0.0006635400000000 ] - [ 0.0009486100000000, 0.0011210600000000, -0.0006582700000000 ] - [ 0.0009455100000000, 0.0011210200000000, -0.0006559300000000 ] - [ -0.0006282000000000, -0.0002094700000000, 0.0015652700000000 ] - [ -0.0008091400000000, -0.0001196700000000, 0.0015252600000000 ] - [ -0.0006869900000000, -0.0001140600000000, 0.0016662300000000 ] - [ -0.0007678700000000, -0.0000492200000000, 0.0015864400000000 ] - [ -0.0008799300000000, -0.0001157800000000, 0.0015280700000000 ] - [ -0.0008246700000000, -0.0001250700000000, 0.0015654200000000 ] - [ -0.0007912900000000, -0.0000433300000000, 0.0016119900000000 ] - [ -0.0007776900000000, -0.0000433700000000, 0.0016267400000000 ] - [ 0.0015069800000000, 0.0001765100000000, -0.0003673300000000 ] - [ 0.0025065700000000, -0.0008150600000000, -0.0007548200000000 ] - [ 0.0015763900000000, 0.0000798400000000, -0.0002023100000000 ] - [ 0.0016601800000000, 0.0000322900000000, -0.0002255500000000 ] - [ 0.0021748400000000, 0.0001002200000000, -0.0007984800000000 ] - [ 0.0011810600000000, -0.0002299800000000, -0.0004119900000000 ] - [ 0.0017884100000000, 0.0001417100000000, -0.0002811700000000 ] - [ 0.0017357700000000, 0.0001425000000000, -0.0003323800000000 ] - [ -0.0017309300000000, -0.0001609100000000, -0.0002942500000000 ] - [ -0.0017576800000000, -0.0001251700000000, -0.0002864400000000 ] - [ -0.0017137500000000, -0.0000768200000000, -0.0003245800000000 ] - [ -0.0017371500000000, -0.0000779300000000, -0.0003378000000000 ] - [ -0.0016259400000000, -0.0001356600000000, -0.0003068300000000 ] - [ -0.0015993400000000, -0.0001584000000000, -0.0002974400000000 ] - [ -0.0016300600000000, -0.0001185900000000, -0.0003238700000000 ] - [ -0.0016213400000000, -0.0001281200000000, -0.0003267200000000 ] - [ 0.0014423100000000, -0.0011241100000000, 0.0021466000000000 ] - [ 0.0006255600000000, 0.0001228700000000, 0.0016849500000000 ] - [ 0.0008540300000000, 0.0000031500000000, 0.0014363600000000 ] - [ 0.0007363700000000, 0.0000666300000000, 0.0015228400000000 ] - [ 0.0005988100000000, -0.0001525500000000, 0.0016929600000000 ] - [ 0.0007571700000000, -0.0001363900000000, 0.0016328900000000 ] - [ 0.0007244100000000, -0.0000914600000000, 0.0015621000000000 ] - [ 0.0007805100000000, -0.0000674100000000, 0.0015455200000000 ] - [ -0.0005949000000000, -0.0006637000000000, -0.0004709000000000 ] - [ -0.0006456000000000, -0.0004083300000000, -0.0009628000000000 ] - [ -0.0008956800000000, -0.0010040200000000, -0.0006937300000000 ] - [ -0.0010813500000000, -0.0010007400000000, -0.0008796200000000 ] - [ -0.0019346300000000, 0.0013634500000000, -0.0004972400000000 ] - [ 0.0021181500000000, 0.0004547800000000, 0.0008730700000000 ] - [ -0.0010763900000000, 0.0013936200000000, -0.0006543500000000 ] - [ -0.0010005900000000, 0.0013489300000000, -0.0007022500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000188900000000, 0.0009215500000000, 0.0000446900000000 ] - [ -0.0000012300000000, 0.0008713600000000, 0.0000498300000000 ] - [ -0.0000191800000000, 0.0010181300000000, -0.0000511300000000 ] - [ 0.0000310800000000, 0.0010004100000000, -0.0000562400000000 ] - [ -0.0000125000000000, -0.0009900200000000, 0.0000338700000000 ] - [ 0.0000030900000000, -0.0010110700000000, 0.0000335800000000 ] - [ 0.0000002800000000, -0.0009627400000000, -0.0000306000000000 ] - [ 0.0000074300000000, -0.0009584900000000, -0.0000346700000000 ] - [ 0.0004309600000000, 0.0017076900000000, 0.0004550700000000 ] - [ -0.0002605800000000, 0.0013928600000000, -0.0000387700000000 ] - [ -0.0003590000000000, 0.0004378700000000, -0.0004663500000000 ] - [ 0.0000882100000000, 0.0008944100000000, -0.0003054600000000 ] - [ 0.0041968700000000, -0.0059135000000000, 0.0036044200000000 ] - [ 0.0000698000000000, -0.0006505300000000, 0.0007556000000000 ] - [ 0.0003335200000000, -0.0009910600000000, -0.0007352400000000 ] - [ -0.0002658000000000, -0.0012642400000000, -0.0004404400000000 ] - [ -0.0000391900000000, 0.0012119700000000, 0.0001681700000000 ] - [ 0.0075477300000000, 0.0035196900000000, 0.0112826200000000 ] - [ -0.0001843200000000, 0.0012975400000000, -0.0004009400000000 ] - [ 0.0003082600000000, 0.0014939000000000, -0.0009345200000000 ] - [ -0.0001959100000000, 0.0008650300000000, 0.0002662800000000 ] - [ 0.0000572700000000, 0.0007619800000000, 0.0001369300000000 ] - [ -0.0000058700000000, 0.0006355900000000, -0.0001338300000000 ] - [ 0.0000377900000000, 0.0006110200000000, -0.0001690000000000 ] - [ -0.0000238200000000, -0.0006769600000000, 0.0000551400000000 ] - [ -0.0000002000000000, -0.0006647200000000, 0.0000783600000000 ] - [ -0.0000082500000000, -0.0007634300000000, -0.0000459900000000 ] - [ 0.0000311500000000, -0.0007753600000000, -0.0000910500000000 ] - [ -0.0002295000000000, -0.0013724000000000, 0.0004507800000000 ] - [ -0.0030951800000000, 0.0030146200000000, 0.0049370100000000 ] - [ -0.0000120900000000, -0.0011668500000000, -0.0002718800000000 ] - [ -0.0002545200000000, -0.0009322400000000, -0.0010275600000000 ] - [ 0.0003614500000000, -0.0011823400000000, 0.0004454600000000 ] - [ -0.0002723000000000, -0.0010863200000000, -0.0000851600000000 ] - [ -0.0000312500000000, -0.0004319000000000, -0.0004239600000000 ] - [ -0.0000085400000000, -0.0006425600000000, -0.0001053900000000 ] - [ -0.0000833900000000, 0.0005470600000000, 0.0000502400000000 ] - [ 0.0001409400000000, 0.0005763000000000, 0.0002201200000000 ] - [ 0.0000337100000000, 0.0008001900000000, -0.0001012100000000 ] - [ -0.0000576700000000, 0.0008199500000000, -0.0001337800000000 ] - [ 0.0000090000000000, 0.0012252800000000, 0.0000245700000000 ] - [ -0.0000014600000000, 0.0012240400000000, 0.0000148800000000 ] - [ -0.0000030800000000, 0.0012154100000000, -0.0000221300000000 ] - [ -0.0000046600000000, 0.0012175800000000, -0.0000181400000000 ] - [ 0.0000238900000000, -0.0012155500000000, 0.0000365300000000 ] - [ -0.0000011400000000, -0.0012312700000000, 0.0000293500000000 ] - [ 0.0000040300000000, -0.0012560500000000, -0.0000302900000000 ] - [ -0.0000154900000000, -0.0012605400000000, -0.0000292400000000 ] - [ -0.0094782500000000, -0.0027301300000000, -0.0245321600000000 ] - [ 0.0010404800000000, -0.0012572000000000, 0.0004918300000000 ] - [ 0.0010433100000000, -0.0011758100000000, 0.0011516900000000 ] - [ 0.0010853900000000, -0.0012441400000000, 0.0008321400000000 ] - [ 0.0010471000000000, -0.0001152400000000, 0.0029286700000000 ] - [ 0.0010690400000000, 0.0012078800000000, 0.0006859800000000 ] - [ 0.0010864000000000, 0.0021986000000000, 0.0028903400000000 ] - [ 0.0010164600000000, 0.0013049900000000, 0.0006870800000000 ] - [ -0.0008644400000000, -0.0001587500000000, -0.0019484800000000 ] - [ -0.0006404000000000, 0.0000764400000000, -0.0017621500000000 ] - [ -0.0008330600000000, 0.0000500000000000, -0.0013427200000000 ] - [ -0.0007456700000000, 0.0000887900000000, -0.0014841600000000 ] - [ -0.0007377500000000, -0.0001253400000000, -0.0015913000000000 ] - [ -0.0006939200000000, -0.0001333300000000, -0.0015686000000000 ] - [ -0.0007957000000000, 0.0000681200000000, -0.0015859500000000 ] - [ -0.0008088500000000, 0.0000156400000000, -0.0015647800000000 ] - [ 0.0016583300000000, 0.0000179200000000, 0.0002721800000000 ] - [ 0.0016878400000000, 0.0000015100000000, 0.0002793800000000 ] - [ 0.0016681100000000, 0.0000354300000000, 0.0003459700000000 ] - [ 0.0016827600000000, 0.0000258800000000, 0.0003436800000000 ] - [ 0.0016714500000000, -0.0000266300000000, 0.0003033600000000 ] - [ 0.0016762100000000, -0.0000216900000000, 0.0003071600000000 ] - [ 0.0016853800000000, 0.0000097000000000, 0.0003189400000000 ] - [ 0.0016838200000000, 0.0000005800000000, 0.0003145200000000 ] - [ -0.0025218000000000, 0.0011243900000000, 0.0012835300000000 ] - [ -0.0015926100000000, -0.0000203600000000, 0.0003186600000000 ] - [ -0.0016628500000000, -0.0002030300000000, 0.0006585500000000 ] - [ -0.0016136000000000, -0.0000841500000000, 0.0002970200000000 ] - [ -0.0013795200000000, 0.0004028600000000, -0.0001638200000000 ] - [ -0.0016229900000000, -0.0000256500000000, 0.0001553600000000 ] - [ -0.0018185100000000, -0.0001101100000000, 0.0006055900000000 ] - [ -0.0016999700000000, 0.0000100400000000, 0.0004120800000000 ] - [ 0.0008113700000000, 0.0001104300000000, -0.0015934000000000 ] - [ 0.0008243200000000, 0.0000436700000000, -0.0015629300000000 ] - [ 0.0006885800000000, -0.0001324500000000, -0.0016060100000000 ] - [ 0.0008074600000000, -0.0000669800000000, -0.0015587300000000 ] - [ 0.0007261200000000, 0.0000812300000000, -0.0016313500000000 ] - [ 0.0007394800000000, 0.0000427200000000, -0.0016266100000000 ] - [ 0.0007801100000000, 0.0000208700000000, -0.0015495500000000 ] - [ 0.0007901300000000, 0.0000221800000000, -0.0015496500000000 ] - [ -0.0010065300000000, 0.0012481700000000, 0.0006617000000000 ] - [ -0.0009934000000000, 0.0012350500000000, 0.0006557200000000 ] - [ -0.0009944900000000, 0.0012217800000000, 0.0006618400000000 ] - [ -0.0009871800000000, 0.0012201900000000, 0.0006570400000000 ] - [ -0.0009861700000000, -0.0012184300000000, 0.0006420200000000 ] - [ -0.0009833700000000, -0.0012193500000000, 0.0006440600000000 ] - [ -0.0009970900000000, -0.0012204300000000, 0.0006742700000000 ] - [ -0.0009930200000000, -0.0012184100000000, 0.0006710000000000 ] - [ 0.0009913300000000, -0.0012256500000000, -0.0006598800000000 ] - [ 0.0009884700000000, -0.0012151100000000, -0.0006604900000000 ] - [ 0.0009883100000000, -0.0012197000000000, -0.0006556000000000 ] - [ 0.0009908000000000, -0.0012184500000000, -0.0006559500000000 ] - [ 0.0010009600000000, 0.0012313800000000, -0.0006770400000000 ] - [ 0.0010088700000000, 0.0012441000000000, -0.0006772100000000 ] - [ 0.0009842700000000, 0.0012230100000000, -0.0006408300000000 ] - [ 0.0009859100000000, 0.0012262600000000, -0.0006395700000000 ] - [ -0.0008184100000000, 0.0000052800000000, 0.0014907900000000 ] - [ -0.0008460700000000, 0.0000675100000000, 0.0015145100000000 ] - [ -0.0006965800000000, -0.0000823900000000, 0.0016982500000000 ] - [ -0.0007404900000000, -0.0000391000000000, 0.0016464300000000 ] - [ -0.0007387400000000, 0.0000746800000000, 0.0015867100000000 ] - [ -0.0007503500000000, 0.0000904500000000, 0.0015803600000000 ] - [ -0.0007694000000000, 0.0000095500000000, 0.0015970600000000 ] - [ -0.0007746800000000, -0.0000037500000000, 0.0015929300000000 ] - [ 0.0017232700000000, 0.0000827200000000, -0.0003832200000000 ] - [ 0.0010984900000000, 0.0006062900000000, -0.0001034900000000 ] - [ 0.0016433700000000, -0.0000408200000000, -0.0002486800000000 ] - [ 0.0018057900000000, -0.0001798600000000, -0.0002501100000000 ] - [ 0.0017032100000000, 0.0000480800000000, -0.0007225600000000 ] - [ 0.0025880900000000, 0.0008156700000000, -0.0007464800000000 ] - [ 0.0016367100000000, 0.0000005200000000, -0.0000809600000000 ] - [ 0.0015427800000000, -0.0001015600000000, -0.0001012000000000 ] - [ -0.0016921500000000, -0.0000403800000000, -0.0003280900000000 ] - [ -0.0016845100000000, 0.0000032800000000, -0.0003301100000000 ] - [ -0.0016665700000000, 0.0000362000000000, -0.0002946800000000 ] - [ -0.0016555700000000, 0.0000542800000000, -0.0002935000000000 ] - [ -0.0016767900000000, -0.0000171900000000, -0.0003258600000000 ] - [ -0.0016821200000000, -0.0000183900000000, -0.0003302500000000 ] - [ -0.0016774700000000, -0.0000012900000000, -0.0002948100000000 ] - [ -0.0016797900000000, -0.0000016900000000, -0.0002912900000000 ] - [ 0.0012534200000000, -0.0007423700000000, 0.0020198800000000 ] - [ 0.0007541400000000, 0.0000000500000000, 0.0015396200000000 ] - [ 0.0006400100000000, 0.0001284100000000, 0.0016566700000000 ] - [ 0.0007508000000000, 0.0001148700000000, 0.0016629600000000 ] - [ 0.0007677900000000, -0.0000890300000000, 0.0014734200000000 ] - [ 0.0007497500000000, -0.0001044200000000, 0.0014884600000000 ] - [ 0.0007943300000000, 0.0000563000000000, 0.0016954900000000 ] - [ 0.0007470200000000, -0.0000140700000000, 0.0016786700000000 ] - [ -0.0006551000000000, -0.0010377700000000, -0.0004709400000000 ] - [ -0.0018975700000000, -0.0015336400000000, -0.0001091300000000 ] - [ -0.0010791800000000, -0.0012614500000000, -0.0006213100000000 ] - [ -0.0002508900000000, -0.0014452100000000, 0.0006517000000000 ] - [ -0.0015301500000000, 0.0010664200000000, -0.0009384200000000 ] - [ 0.0009310600000000, -0.0003013500000000, -0.0012761000000000 ] - [ -0.0009092600000000, 0.0012214700000000, -0.0004640500000000 ] - [ -0.0009670400000000, 0.0012691300000000, -0.0002216200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000190500000000, 0.0010163500000000, -0.0000436300000000 ] - [ 0.0000020800000000, 0.0010652200000000, -0.0000482300000000 ] - [ 0.0000199800000000, 0.0009180900000000, 0.0000518400000000 ] - [ -0.0000313600000000, 0.0009358000000000, 0.0000552800000000 ] - [ 0.0000126200000000, -0.0009470700000000, -0.0000340600000000 ] - [ -0.0000026900000000, -0.0009265200000000, -0.0000341400000000 ] - [ -0.0000001800000000, -0.0009747800000000, 0.0000312500000000 ] - [ -0.0000078900000000, -0.0009791000000000, 0.0000346200000000 ] - [ -0.0004307500000000, 0.0002285000000000, -0.0004485100000000 ] - [ 0.0002607600000000, 0.0005438200000000, 0.0000420900000000 ] - [ 0.0003610800000000, 0.0015009700000000, 0.0004636200000000 ] - [ -0.0000897400000000, 0.0010441000000000, 0.0003039100000000 ] - [ -0.0042668000000000, 0.0040601900000000, -0.0036005000000000 ] - [ -0.0000688200000000, -0.0012860900000000, -0.0007546800000000 ] - [ -0.0003301300000000, -0.0009467700000000, 0.0007327800000000 ] - [ 0.0002631100000000, -0.0006753800000000, 0.0004388500000000 ] - [ 0.0000378500000000, 0.0012492700000000, -0.0001645000000000 ] - [ -0.0072096200000000, -0.0009701700000000, -0.0108858300000000 ] - [ 0.0001851400000000, 0.0011627400000000, 0.0003998100000000 ] - [ -0.0003084500000000, 0.0009622900000000, 0.0009325000000000 ] - [ 0.0001950800000000, 0.0005632100000000, -0.0002669400000000 ] - [ -0.0000554400000000, 0.0006651400000000, -0.0001379000000000 ] - [ 0.0000069900000000, 0.0007916800000000, 0.0001360300000000 ] - [ -0.0000382000000000, 0.0008156000000000, 0.0001700700000000 ] - [ 0.0000217500000000, -0.0007510400000000, -0.0000557100000000 ] - [ -0.0000018600000000, -0.0007644000000000, -0.0000759700000000 ] - [ 0.0000093100000000, -0.0006656900000000, 0.0000454300000000 ] - [ -0.0000291200000000, -0.0006528100000000, 0.0000904700000000 ] - [ 0.0002283600000000, -0.0010869700000000, -0.0004537700000000 ] - [ 0.0031873400000000, -0.0055884500000000, -0.0049690700000000 ] - [ 0.0000115800000000, -0.0012920600000000, 0.0002728200000000 ] - [ 0.0002536100000000, -0.0015260100000000, 0.0010257500000000 ] - [ -0.0003595700000000, -0.0002456800000000, -0.0004420100000000 ] - [ 0.0002721000000000, -0.0003435700000000, 0.0000870800000000 ] - [ 0.0000322900000000, -0.0009954600000000, 0.0004223600000000 ] - [ 0.0000096400000000, -0.0007854600000000, 0.0001057600000000 ] - [ 0.0000786300000000, 0.0008776400000000, -0.0000521000000000 ] - [ -0.0001404800000000, 0.0008505200000000, -0.0002212400000000 ] - [ -0.0000322700000000, 0.0006302600000000, 0.0001027400000000 ] - [ 0.0000560600000000, 0.0006101000000000, 0.0001345900000000 ] - [ -0.0000093500000000, 0.0012348900000000, -0.0000230100000000 ] - [ 0.0000015700000000, 0.0012334600000000, -0.0000147800000000 ] - [ 0.0000037000000000, 0.0012443600000000, 0.0000218300000000 ] - [ 0.0000034400000000, 0.0012402000000000, 0.0000186100000000 ] - [ -0.0000236500000000, -0.0012440600000000, -0.0000374000000000 ] - [ 0.0000026800000000, -0.0012239800000000, -0.0000311900000000 ] - [ -0.0000028000000000, -0.0012039000000000, 0.0000309300000000 ] - [ 0.0000151400000000, -0.0011953000000000, 0.0000316700000000 ] - [ 0.0110842900000000, 0.0002424200000000, 0.0254469000000000 ] - [ 0.0009410100000000, -0.0011955600000000, 0.0008264200000000 ] - [ 0.0009376500000000, -0.0012763400000000, 0.0001660000000000 ] - [ 0.0008960000000000, -0.0012088300000000, 0.0004852000000000 ] - [ 0.0009394000000000, 0.0025500900000000, -0.0015715100000000 ] - [ 0.0009128600000000, 0.0012446700000000, 0.0006313800000000 ] - [ 0.0008970400000000, 0.0002321600000000, -0.0016098000000000 ] - [ 0.0009649000000000, 0.0011467200000000, 0.0006317700000000 ] - [ -0.0006669200000000, 0.0002225400000000, -0.0012280200000000 ] - [ -0.0008907400000000, -0.0000096800000000, -0.0014129100000000 ] - [ -0.0006979500000000, 0.0000184000000000, -0.0018325600000000 ] - [ -0.0007852900000000, -0.0000214100000000, -0.0016910200000000 ] - [ -0.0007933500000000, 0.0000584600000000, -0.0015847100000000 ] - [ -0.0008368100000000, 0.0000668400000000, -0.0016073100000000 ] - [ -0.0007356500000000, -0.0001357800000000, -0.0015886400000000 ] - [ -0.0007219200000000, -0.0000825300000000, -0.0016098700000000 ] - [ 0.0016978100000000, 0.0000090100000000, 0.0003486100000000 ] - [ 0.0016684300000000, 0.0000258900000000, 0.0003410800000000 ] - [ 0.0016886300000000, -0.0000079300000000, 0.0002744900000000 ] - [ 0.0016742900000000, 0.0000013100000000, 0.0002772200000000 ] - [ 0.0016857500000000, -0.0000006900000000, 0.0003170300000000 ] - [ 0.0016808500000000, -0.0000058500000000, 0.0003134000000000 ] - [ 0.0016716100000000, -0.0000368100000000, 0.0003020500000000 ] - [ 0.0016728600000000, -0.0000282800000000, 0.0003062600000000 ] - [ -0.0008377500000000, -0.0011412400000000, -0.0006521000000000 ] - [ -0.0017638500000000, -0.0000072400000000, 0.0003009100000000 ] - [ -0.0016948400000000, 0.0001753200000000, -0.0000350800000000 ] - [ -0.0017435400000000, 0.0000569200000000, 0.0003237300000000 ] - [ -0.0019741300000000, -0.0003656800000000, 0.0007854200000000 ] - [ -0.0017331200000000, 0.0000533400000000, 0.0004650700000000 ] - [ -0.0015392900000000, 0.0001363200000000, 0.0000158600000000 ] - [ -0.0016567900000000, 0.0000177500000000, 0.0002082300000000 ] - [ 0.0007202600000000, -0.0001767000000000, -0.0015822000000000 ] - [ 0.0007063000000000, -0.0001107400000000, -0.0016131600000000 ] - [ 0.0008425100000000, 0.0000652400000000, -0.0015698300000000 ] - [ 0.0007238300000000, 0.0000000600000000, -0.0016166900000000 ] - [ 0.0008045800000000, -0.0000138100000000, -0.0015446400000000 ] - [ 0.0007923300000000, 0.0000246800000000, -0.0015492900000000 ] - [ 0.0007514800000000, 0.0000460200000000, -0.0016261200000000 ] - [ 0.0007414000000000, 0.0000443100000000, -0.0016261400000000 ] - [ -0.0009745300000000, 0.0012041800000000, 0.0006570200000000 ] - [ -0.0009870500000000, 0.0012174100000000, 0.0006617000000000 ] - [ -0.0009866400000000, 0.0012306300000000, 0.0006564000000000 ] - [ -0.0009946600000000, 0.0012326100000000, 0.0006617900000000 ] - [ -0.0009946400000000, -0.0012339500000000, 0.0006758700000000 ] - [ -0.0009977600000000, -0.0012332200000000, 0.0006734400000000 ] - [ -0.0009836900000000, -0.0012322700000000, 0.0006430700000000 ] - [ -0.0009878600000000, -0.0012332400000000, 0.0006474800000000 ] - [ 0.0009888600000000, -0.0012267900000000, -0.0006571300000000 ] - [ 0.0009928600000000, -0.0012367800000000, -0.0006574700000000 ] - [ 0.0009929000000000, -0.0012328400000000, -0.0006621400000000 ] - [ 0.0009896300000000, -0.0012334300000000, -0.0006619300000000 ] - [ 0.0009795800000000, 0.0012210700000000, -0.0006407100000000 ] - [ 0.0009716400000000, 0.0012079500000000, -0.0006403000000000 ] - [ 0.0009966800000000, 0.0012285900000000, -0.0006772800000000 ] - [ 0.0009956000000000, 0.0012266800000000, -0.0006775900000000 ] - [ -0.0007124400000000, -0.0000725500000000, 0.0016855400000000 ] - [ -0.0006853600000000, -0.0001343300000000, 0.0016616700000000 ] - [ -0.0008345000000000, 0.0000156700000000, 0.0014778900000000 ] - [ -0.0007910300000000, -0.0000276700000000, 0.0015295300000000 ] - [ -0.0007923100000000, -0.0000072600000000, 0.0015902100000000 ] - [ -0.0007806700000000, -0.0000236600000000, 0.0015956800000000 ] - [ -0.0007619600000000, 0.0000571800000000, 0.0015786600000000 ] - [ -0.0007565800000000, 0.0000705300000000, 0.0015831400000000 ] - [ 0.0016326300000000, -0.0000552900000000, -0.0002354400000000 ] - [ 0.0022564100000000, -0.0005767900000000, -0.0005165500000000 ] - [ 0.0017127600000000, 0.0000684000000000, -0.0003719300000000 ] - [ 0.0015520400000000, 0.0002068300000000, -0.0003703300000000 ] - [ 0.0016525400000000, -0.0000755900000000, 0.0001018300000000 ] - [ 0.0007690200000000, -0.0008423400000000, 0.0001223400000000 ] - [ 0.0017198800000000, -0.0000277500000000, -0.0005387700000000 ] - [ 0.0018140900000000, 0.0000745000000000, -0.0005186900000000 ] - [ -0.0016650200000000, 0.0000676900000000, -0.0002925400000000 ] - [ -0.0016717800000000, 0.0000238800000000, -0.0002896700000000 ] - [ -0.0016896400000000, -0.0000085400000000, -0.0003250100000000 ] - [ -0.0017017600000000, -0.0000272500000000, -0.0003271200000000 ] - [ -0.0016797900000000, -0.0000096600000000, -0.0002947700000000 ] - [ -0.0016749000000000, -0.0000091200000000, -0.0002903200000000 ] - [ -0.0016796200000000, -0.0000256000000000, -0.0003255600000000 ] - [ -0.0016766900000000, -0.0000262200000000, -0.0003279600000000 ] - [ 0.0002801100000000, 0.0008060200000000, 0.0011556800000000 ] - [ 0.0007765000000000, 0.0000671800000000, 0.0016367200000000 ] - [ 0.0008901100000000, -0.0000609000000000, 0.0015190100000000 ] - [ 0.0007799800000000, -0.0000476900000000, 0.0015123700000000 ] - [ 0.0007637600000000, 0.0000222900000000, 0.0017016700000000 ] - [ 0.0007813400000000, 0.0000378500000000, 0.0016870700000000 ] - [ 0.0007367300000000, -0.0001231400000000, 0.0014802100000000 ] - [ 0.0007842100000000, -0.0000526300000000, 0.0014974300000000 ] - [ -0.0013262300000000, -0.0014136900000000, -0.0008467200000000 ] - [ -0.0000784400000000, -0.0009209000000000, -0.0012094700000000 ] - [ -0.0009033300000000, -0.0011913500000000, -0.0006969700000000 ] - [ -0.0017265900000000, -0.0010092800000000, -0.0019606100000000 ] - [ -0.0004469100000000, 0.0013871400000000, -0.0003826100000000 ] - [ -0.0029171300000000, 0.0027573200000000, -0.0000527500000000 ] - [ -0.0010724100000000, 0.0012308000000000, -0.0008536300000000 ] - [ -0.0010138000000000, 0.0011823500000000, -0.0010944400000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003465300000000, 0.0014209600000000, 0.0001645600000000 ] - [ 0.0002816700000000, 0.0006085500000000, -0.0006824300000000 ] - [ -0.0000838400000000, 0.0010366200000000, 0.0000647900000000 ] - [ 0.0000209400000000, 0.0007254400000000, 0.0004547800000000 ] - [ -0.0000119600000000, -0.0010885200000000, -0.0000084900000000 ] - [ 0.0000089100000000, -0.0011417700000000, -0.0000043100000000 ] - [ -0.0000087000000000, -0.0010482300000000, 0.0000116900000000 ] - [ 0.0000061000000000, -0.0010678000000000, 0.0000059800000000 ] - [ 0.0000561600000000, 0.0007984600000000, 0.0000419400000000 ] - [ -0.0000470500000000, 0.0008811600000000, -0.0000017800000000 ] - [ 0.0000507700000000, 0.0008541500000000, -0.0000338000000000 ] - [ -0.0000514000000000, 0.0008920900000000, -0.0000205300000000 ] - [ 0.0052747700000000, 0.0052070900000000, 0.0026681400000000 ] - [ -0.0006021500000000, -0.0004118600000000, -0.0000957400000000 ] - [ 0.0001191600000000, -0.0010513800000000, 0.0003852400000000 ] - [ -0.0001287500000000, -0.0008318000000000, 0.0000834200000000 ] - [ -0.0005685600000000, 0.0006707200000000, 0.0003396400000000 ] - [ 0.0005156300000000, 0.0013229300000000, -0.0001454000000000 ] - [ -0.0002570600000000, 0.0013898600000000, -0.0002257900000000 ] - [ 0.0001051100000000, 0.0013700100000000, 0.0000431500000000 ] - [ -0.0006516100000000, 0.0010272000000000, -0.0003973500000000 ] - [ 0.0037763700000000, 0.0048725800000000, -0.0032575300000000 ] - [ -0.0002823400000000, 0.0010218800000000, 0.0001734000000000 ] - [ 0.0001850700000000, 0.0008201300000000, 0.0001469700000000 ] - [ -0.0000109700000000, -0.0008123000000000, 0.0000009700000000 ] - [ 0.0000129500000000, -0.0008177800000000, -0.0000114900000000 ] - [ -0.0000105500000000, -0.0008121300000000, 0.0000031500000000 ] - [ 0.0000068400000000, -0.0008166100000000, 0.0000065200000000 ] - [ -0.0002045200000000, -0.0014690500000000, 0.0000946200000000 ] - [ 0.0001612800000000, -0.0013008800000000, -0.0001099900000000 ] - [ -0.0000800500000000, -0.0013274200000000, 0.0000567800000000 ] - [ 0.0000578700000000, -0.0012599800000000, 0.0000411000000000 ] - [ 0.0060457600000000, -0.0002394700000000, -0.0061202500000000 ] - [ -0.0007377500000000, -0.0002423700000000, -0.0004944900000000 ] - [ 0.0005577200000000, -0.0002825300000000, -0.0000222100000000 ] - [ -0.0004727200000000, -0.0006115700000000, 0.0005466800000000 ] - [ 0.0000291400000000, 0.0005871700000000, 0.0000021000000000 ] - [ -0.0000272900000000, 0.0006142300000000, -0.0000151700000000 ] - [ 0.0000168400000000, 0.0006205600000000, 0.0000131300000000 ] - [ -0.0000130000000000, 0.0006312000000000, 0.0000025500000000 ] - [ 0.0000724000000000, 0.0011523000000000, -0.0000385700000000 ] - [ -0.0000837200000000, 0.0011248100000000, -0.0000883200000000 ] - [ 0.0000616100000000, 0.0011199200000000, 0.0000616500000000 ] - [ -0.0000463000000000, 0.0011128900000000, 0.0000542800000000 ] - [ 0.0003981100000000, -0.0014881100000000, 0.0001401700000000 ] - [ -0.0003353900000000, -0.0015153300000000, -0.0001759400000000 ] - [ 0.0001166600000000, -0.0011828300000000, 0.0000269700000000 ] - [ -0.0001012500000000, -0.0012522100000000, 0.0000408100000000 ] - [ 0.0006565800000000, -0.0010335800000000, 0.0005566800000000 ] - [ 0.0012217600000000, -0.0012894600000000, 0.0007801400000000 ] - [ 0.0009263300000000, -0.0012019600000000, 0.0005877100000000 ] - [ 0.0010512500000000, -0.0012613900000000, 0.0006750900000000 ] - [ 0.0009575500000000, 0.0012660500000000, 0.0006252800000000 ] - [ 0.0010792500000000, 0.0013228700000000, 0.0006117900000000 ] - [ 0.0009438100000000, 0.0012104200000000, 0.0006831700000000 ] - [ 0.0011457100000000, 0.0012974800000000, 0.0007269000000000 ] - [ -0.0218146100000000, -0.0124862100000000, 0.0062898000000000 ] - [ -0.0004627200000000, 0.0000646800000000, -0.0016767000000000 ] - [ -0.0008540100000000, -0.0001115300000000, -0.0016659100000000 ] - [ -0.0006453000000000, 0.0000099100000000, -0.0017357800000000 ] - [ -0.0007967200000000, 0.0000326900000000, -0.0015945700000000 ] - [ -0.0007761800000000, 0.0000123800000000, -0.0015941100000000 ] - [ -0.0007968400000000, 0.0000252100000000, -0.0015818200000000 ] - [ -0.0007761900000000, 0.0000136500000000, -0.0015883200000000 ] - [ 0.0010669000000000, 0.0008532900000000, 0.0004710500000000 ] - [ 0.0019830300000000, -0.0001624800000000, 0.0004160100000000 ] - [ 0.0016106400000000, 0.0000206900000000, 0.0001813300000000 ] - [ 0.0017380000000000, -0.0000496600000000, 0.0002860800000000 ] - [ 0.0016936700000000, 0.0000315700000000, 0.0003182300000000 ] - [ 0.0017044300000000, 0.0000301400000000, 0.0003213400000000 ] - [ 0.0016942900000000, 0.0000448300000000, 0.0003003200000000 ] - [ 0.0017086500000000, 0.0000451100000000, 0.0003098000000000 ] - [ -0.0021417600000000, 0.0004388900000000, -0.0000863800000000 ] - [ -0.0013342500000000, -0.0002274000000000, 0.0002744600000000 ] - [ -0.0019488800000000, -0.0001811000000000, 0.0004898000000000 ] - [ -0.0014167900000000, -0.0002348200000000, 0.0002337600000000 ] - [ -0.0016707900000000, 0.0000707600000000, 0.0003276400000000 ] - [ -0.0016136300000000, 0.0000962900000000, 0.0003029800000000 ] - [ -0.0016718300000000, 0.0000472100000000, 0.0003167200000000 ] - [ -0.0016409700000000, 0.0000649700000000, 0.0003049500000000 ] - [ 0.0002081900000000, -0.0004689000000000, -0.0016866900000000 ] - [ 0.0009810600000000, 0.0000016600000000, -0.0014885100000000 ] - [ 0.0002072200000000, -0.0000342900000000, -0.0025031000000000 ] - [ 0.0009813500000000, -0.0000092100000000, -0.0014923300000000 ] - [ 0.0007274600000000, 0.0001000900000000, -0.0015890300000000 ] - [ 0.0007459400000000, 0.0000816700000000, -0.0015852800000000 ] - [ 0.0007362500000000, 0.0000789500000000, -0.0015978800000000 ] - [ 0.0007450900000000, 0.0000716900000000, -0.0015936600000000 ] - [ -0.0010841000000000, 0.0012953100000000, 0.0007322100000000 ] - [ -0.0008877000000000, 0.0011426600000000, 0.0006133400000000 ] - [ -0.0010668100000000, 0.0013381600000000, 0.0006092800000000 ] - [ -0.0009231800000000, 0.0012586600000000, 0.0005959000000000 ] - [ -0.0010013800000000, -0.0011087200000000, 0.0006944200000000 ] - [ -0.0009335900000000, -0.0011512500000000, 0.0006812800000000 ] - [ -0.0009920300000000, -0.0011990000000000, 0.0006405800000000 ] - [ -0.0009575300000000, -0.0011942200000000, 0.0006312800000000 ] - [ 0.0009396400000000, -0.0011629400000000, -0.0006705600000000 ] - [ 0.0009846700000000, -0.0011073000000000, -0.0006822500000000 ] - [ 0.0009629900000000, -0.0012093000000000, -0.0006461000000000 ] - [ 0.0009990400000000, -0.0011959200000000, -0.0006512700000000 ] - [ 0.0008834900000000, 0.0011777700000000, -0.0005747300000000 ] - [ 0.0010623900000000, 0.0013592700000000, -0.0006020000000000 ] - [ 0.0009819300000000, 0.0012192900000000, -0.0006802300000000 ] - [ 0.0010621300000000, 0.0013000500000000, -0.0007243400000000 ] - [ 0.0010300900000000, -0.0014468400000000, 0.0014906600000000 ] - [ 0.0010538900000000, 0.0007583400000000, 0.0028655900000000 ] - [ -0.0007779800000000, -0.0001119100000000, 0.0015185600000000 ] - [ -0.0007786400000000, -0.0000690800000000, 0.0014486600000000 ] - [ -0.0007355200000000, 0.0000905100000000, 0.0015931500000000 ] - [ -0.0007356100000000, 0.0000906000000000, 0.0015891500000000 ] - [ -0.0007426700000000, 0.0000766400000000, 0.0015900700000000 ] - [ -0.0007428700000000, 0.0000761700000000, 0.0015925400000000 ] - [ 0.0016178900000000, 0.0001237700000000, -0.0003013200000000 ] - [ 0.0016610900000000, 0.0000440900000000, -0.0003083400000000 ] - [ 0.0016489900000000, 0.0000791000000000, -0.0003262000000000 ] - [ 0.0016645000000000, 0.0000482500000000, -0.0003227800000000 ] - [ 0.0030876500000000, 0.0012802100000000, -0.0008945800000000 ] - [ 0.0026417600000000, -0.0007471500000000, 0.0002282500000000 ] - [ 0.0016412400000000, -0.0000555900000000, -0.0003438600000000 ] - [ 0.0016371200000000, -0.0001577100000000, -0.0004276700000000 ] - [ -0.0017917600000000, -0.0001587600000000, -0.0002620700000000 ] - [ -0.0009809100000000, 0.0009656200000000, -0.0006739200000000 ] - [ -0.0017286600000000, -0.0000848300000000, -0.0003744600000000 ] - [ -0.0016618300000000, 0.0000044900000000, -0.0002168400000000 ] - [ -0.0016994100000000, 0.0000320800000000, -0.0003061800000000 ] - [ -0.0016976100000000, 0.0000490700000000, -0.0002988000000000 ] - [ -0.0017024200000000, 0.0000320800000000, -0.0003212100000000 ] - [ -0.0017031400000000, 0.0000393600000000, -0.0003226200000000 ] - [ 0.0010815900000000, -0.0003236800000000, 0.0021376300000000 ] - [ 0.0018878300000000, -0.0005524800000000, 0.0007405800000000 ] - [ 0.0013438900000000, -0.0000676500000000, 0.0007372500000000 ] - [ 0.0007503700000000, -0.0000537500000000, 0.0016964100000000 ] - [ 0.0007876300000000, 0.0000337400000000, 0.0015893000000000 ] - [ 0.0007871900000000, 0.0000181400000000, 0.0015907300000000 ] - [ 0.0007826900000000, 0.0000174200000000, 0.0015897900000000 ] - [ 0.0007878200000000, 0.0000159800000000, 0.0015890000000000 ] - [ -0.0002325500000000, -0.0005429900000000, -0.0001682600000000 ] - [ -0.0010596100000000, -0.0013617800000000, -0.0006665400000000 ] - [ -0.0009682500000000, -0.0011330900000000, -0.0007800800000000 ] - [ -0.0010550200000000, -0.0012508500000000, -0.0006701500000000 ] - [ -0.0010056500000000, 0.0013878800000000, -0.0006536100000000 ] - [ -0.0010594600000000, 0.0012303200000000, -0.0006708800000000 ] - [ -0.0009889200000000, 0.0012628600000000, -0.0006264200000000 ] - [ -0.0010021100000000, 0.0012067200000000, -0.0006739400000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003440200000000, 0.0005092900000000, -0.0001656900000000 ] - [ -0.0002779300000000, 0.0013205500000000, 0.0006830700000000 ] - [ 0.0000829600000000, 0.0008902800000000, -0.0000635500000000 ] - [ -0.0000199700000000, 0.0012036100000000, -0.0004554600000000 ] - [ 0.0000111500000000, -0.0008415700000000, 0.0000064500000000 ] - [ -0.0000076100000000, -0.0007893500000000, 0.0000019000000000 ] - [ 0.0000083000000000, -0.0008833300000000, -0.0000091800000000 ] - [ -0.0000076800000000, -0.0008637500000000, -0.0000067300000000 ] - [ -0.0000571400000000, 0.0011306400000000, -0.0000419800000000 ] - [ 0.0000454000000000, 0.0010489800000000, 0.0000018700000000 ] - [ -0.0000511000000000, 0.0010776300000000, 0.0000323200000000 ] - [ 0.0000508400000000, 0.0010398000000000, 0.0000186000000000 ] - [ -0.0053262100000000, -0.0072805800000000, -0.0027491400000000 ] - [ 0.0005999300000000, -0.0015176600000000, 0.0000903800000000 ] - [ -0.0001216000000000, -0.0008800700000000, -0.0003814000000000 ] - [ 0.0001290000000000, -0.0010982900000000, -0.0000826700000000 ] - [ 0.0005684300000000, 0.0017897300000000, -0.0003360700000000 ] - [ -0.0005125400000000, 0.0011244500000000, 0.0001381800000000 ] - [ 0.0002594200000000, 0.0010672300000000, 0.0002286000000000 ] - [ -0.0000954300000000, 0.0010784300000000, -0.0000417000000000 ] - [ 0.0006504700000000, 0.0003987700000000, 0.0003893600000000 ] - [ -0.0036929300000000, -0.0033072200000000, 0.0031434000000000 ] - [ 0.0002793900000000, 0.0004000100000000, -0.0001635200000000 ] - [ -0.0001871200000000, 0.0006061700000000, -0.0001420600000000 ] - [ 0.0000088800000000, -0.0006087200000000, -0.0000073300000000 ] - [ -0.0000156000000000, -0.0006036600000000, 0.0000174200000000 ] - [ 0.0000113500000000, -0.0006133900000000, -0.0000024000000000 ] - [ -0.0000006300000000, -0.0006034800000000, -0.0000071100000000 ] - [ 0.0002062900000000, -0.0009859900000000, -0.0000987200000000 ] - [ -0.0001585100000000, -0.0011409500000000, 0.0001098400000000 ] - [ 0.0000765500000000, -0.0011275000000000, -0.0000536500000000 ] - [ -0.0000544500000000, -0.0011965400000000, -0.0000359400000000 ] - [ -0.0061487300000000, -0.0011813500000000, 0.0063281700000000 ] - [ 0.0007377800000000, -0.0011812400000000, 0.0005005700000000 ] - [ -0.0005608200000000, -0.0011362700000000, 0.0000183700000000 ] - [ 0.0004744100000000, -0.0008163400000000, -0.0005391300000000 ] - [ -0.0000352400000000, 0.0008409400000000, -0.0000054200000000 ] - [ 0.0000269600000000, 0.0008084400000000, 0.0000149400000000 ] - [ -0.0000130900000000, 0.0008067400000000, -0.0000100300000000 ] - [ 0.0000115600000000, 0.0008007100000000, -0.0000009600000000 ] - [ -0.0000676100000000, 0.0013070400000000, 0.0000446500000000 ] - [ 0.0000852900000000, 0.0013173200000000, 0.0000885600000000 ] - [ -0.0000617400000000, 0.0013294500000000, -0.0000660400000000 ] - [ 0.0000476000000000, 0.0013373800000000, -0.0000526700000000 ] - [ -0.0004008000000000, -0.0009627100000000, -0.0001463500000000 ] - [ 0.0003341400000000, -0.0009395200000000, 0.0001670900000000 ] - [ -0.0001074100000000, -0.0012668100000000, -0.0000206100000000 ] - [ 0.0001057000000000, -0.0011976300000000, -0.0000381700000000 ] - [ 0.0013271700000000, -0.0014120600000000, 0.0007546200000000 ] - [ 0.0007596300000000, -0.0011610700000000, 0.0005333500000000 ] - [ 0.0010554500000000, -0.0012466500000000, 0.0007228200000000 ] - [ 0.0009318400000000, -0.0011876000000000, 0.0006373800000000 ] - [ 0.0010218300000000, 0.0011831300000000, 0.0006886400000000 ] - [ 0.0009039600000000, 0.0011258800000000, 0.0007010400000000 ] - [ 0.0010377800000000, 0.0012377200000000, 0.0006303800000000 ] - [ 0.0008360500000000, 0.0011511200000000, 0.0005859000000000 ] - [ 0.0203722500000000, 0.0125341300000000, -0.0095065900000000 ] - [ -0.0010600900000000, -0.0000064300000000, -0.0014991000000000 ] - [ -0.0006712500000000, 0.0001682200000000, -0.0015122800000000 ] - [ -0.0008810300000000, 0.0000476800000000, -0.0014432700000000 ] - [ -0.0007294300000000, -0.0000898000000000, -0.0015833500000000 ] - [ -0.0007486200000000, -0.0000712100000000, -0.0015826300000000 ] - [ -0.0007277100000000, -0.0000841800000000, -0.0015956500000000 ] - [ -0.0007491300000000, -0.0000715800000000, -0.0015877000000000 ] - [ 0.0022803200000000, -0.0008324000000000, 0.0001580700000000 ] - [ 0.0013669700000000, 0.0001916600000000, 0.0002118100000000 ] - [ 0.0017440700000000, 0.0000074900000000, 0.0004462100000000 ] - [ 0.0016146100000000, 0.0000772000000000, 0.0003405600000000 ] - [ 0.0016598100000000, -0.0000620300000000, 0.0003086900000000 ] - [ 0.0016450300000000, -0.0000572600000000, 0.0003053200000000 ] - [ 0.0016547400000000, -0.0000718900000000, 0.0003266600000000 ] - [ 0.0016433500000000, -0.0000735800000000, 0.0003176600000000 ] - [ -0.0012056200000000, -0.0004599000000000, 0.0007043900000000 ] - [ -0.0020195600000000, 0.0001987000000000, 0.0003533000000000 ] - [ -0.0014011200000000, 0.0001553000000000, 0.0001378200000000 ] - [ -0.0019361000000000, 0.0002051100000000, 0.0003935600000000 ] - [ -0.0016801700000000, -0.0000435500000000, 0.0002996100000000 ] - [ -0.0017393200000000, -0.0000683100000000, 0.0003235900000000 ] - [ -0.0016814900000000, -0.0000190700000000, 0.0003099400000000 ] - [ -0.0017133200000000, -0.0000368700000000, 0.0003226600000000 ] - [ 0.0013142600000000, 0.0004096900000000, -0.0014944800000000 ] - [ 0.0005424900000000, -0.0000589400000000, -0.0016886800000000 ] - [ 0.0013163500000000, -0.0000260600000000, -0.0006731500000000 ] - [ 0.0005458200000000, -0.0000474500000000, -0.0016860100000000 ] - [ 0.0007936100000000, -0.0000421700000000, -0.0015880800000000 ] - [ 0.0007786800000000, -0.0000245500000000, -0.0015926300000000 ] - [ 0.0007885400000000, -0.0000221300000000, -0.0015785600000000 ] - [ 0.0007795600000000, -0.0000145500000000, -0.0015850000000000 ] - [ -0.0008986000000000, 0.0011529100000000, 0.0005791800000000 ] - [ -0.0010951700000000, 0.0013071800000000, 0.0006988000000000 ] - [ -0.0009149200000000, 0.0011107200000000, 0.0007033900000000 ] - [ -0.0010631600000000, 0.0011901500000000, 0.0007182200000000 ] - [ -0.0009809400000000, -0.0013416600000000, 0.0006197200000000 ] - [ -0.0010482000000000, -0.0012993300000000, 0.0006309700000000 ] - [ -0.0009928100000000, -0.0012497400000000, 0.0006715000000000 ] - [ -0.0010232000000000, -0.0012539900000000, 0.0006813400000000 ] - [ 0.0010415700000000, -0.0012867400000000, -0.0006417000000000 ] - [ 0.0009964700000000, -0.0013415900000000, -0.0006296900000000 ] - [ 0.0010194900000000, -0.0012399300000000, -0.0006682100000000 ] - [ 0.0009806800000000, -0.0012533900000000, -0.0006620000000000 ] - [ 0.0010963900000000, 0.0012724000000000, -0.0007377700000000 ] - [ 0.0009186700000000, 0.0010896200000000, -0.0007111300000000 ] - [ 0.0009986600000000, 0.0012300200000000, -0.0006326800000000 ] - [ 0.0009205600000000, 0.0011487900000000, -0.0005877900000000 ] - [ -0.0025756300000000, 0.0014039900000000, 0.0016965300000000 ] - [ -0.0025526900000000, -0.0007977800000000, 0.0003231600000000 ] - [ -0.0007497800000000, 0.0000543400000000, 0.0016599300000000 ] - [ -0.0007468000000000, 0.0000122100000000, 0.0017274800000000 ] - [ -0.0007893200000000, -0.0000330500000000, 0.0015848200000000 ] - [ -0.0007913000000000, -0.0000328000000000, 0.0015880400000000 ] - [ -0.0007804100000000, -0.0000197800000000, 0.0015860200000000 ] - [ -0.0007805600000000, -0.0000184000000000, 0.0015842800000000 ] - [ 0.0017330200000000, -0.0000965800000000, -0.0003240000000000 ] - [ 0.0016880200000000, -0.0000173900000000, -0.0003173100000000 ] - [ 0.0017011000000000, -0.0000514900000000, -0.0003015100000000 ] - [ 0.0016890600000000, -0.0000202300000000, -0.0003054100000000 ] - [ 0.0002495700000000, -0.0013211500000000, 0.0002746800000000 ] - [ 0.0007319500000000, 0.0007057200000000, -0.0008436500000000 ] - [ 0.0017106900000000, 0.0000265700000000, -0.0002840800000000 ] - [ 0.0017143100000000, 0.0001297000000000, -0.0002002400000000 ] - [ -0.0015605100000000, 0.0001868200000000, -0.0003649900000000 ] - [ -0.0023686400000000, -0.0009327900000000, 0.0000468700000000 ] - [ -0.0016185400000000, 0.0001113000000000, -0.0002526100000000 ] - [ -0.0016901200000000, 0.0000226200000000, -0.0004121400000000 ] - [ -0.0016519000000000, -0.0000609400000000, -0.0003204800000000 ] - [ -0.0016505700000000, -0.0000762700000000, -0.0003283700000000 ] - [ -0.0016493700000000, -0.0000603000000000, -0.0003065600000000 ] - [ -0.0016516700000000, -0.0000676300000000, -0.0003042900000000 ] - [ 0.0004394200000000, 0.0003798500000000, 0.0010360000000000 ] - [ -0.0003525900000000, 0.0006087000000000, 0.0024309700000000 ] - [ 0.0001791100000000, 0.0001261000000000, 0.0024394800000000 ] - [ 0.0007738200000000, 0.0001116700000000, 0.0014799900000000 ] - [ 0.0007386500000000, -0.0000910200000000, 0.0015883700000000 ] - [ 0.0007393400000000, -0.0000757400000000, 0.0015858000000000 ] - [ 0.0007417800000000, -0.0000756000000000, 0.0015868600000000 ] - [ 0.0007372900000000, -0.0000750400000000, 0.0015889200000000 ] - [ -0.0017560300000000, -0.0019051400000000, -0.0011434900000000 ] - [ -0.0009290500000000, -0.0010873900000000, -0.0006446300000000 ] - [ -0.0010152000000000, -0.0013159100000000, -0.0005335300000000 ] - [ -0.0009271600000000, -0.0011993500000000, -0.0006415100000000 ] - [ -0.0009765800000000, 0.0010607500000000, -0.0006593200000000 ] - [ -0.0009231800000000, 0.0012168400000000, -0.0006421100000000 ] - [ -0.0009959600000000, 0.0011863700000000, -0.0006870900000000 ] - [ -0.0009831800000000, 0.0012414100000000, -0.0006399000000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000612300000000, 0.0009533100000000, -0.0001899600000000 ] - [ -0.0002127100000000, 0.0005897100000000, -0.0007355900000000 ] - [ 0.0000044000000000, 0.0010966600000000, 0.0001168200000000 ] - [ -0.0000673100000000, 0.0008472600000000, 0.0004169200000000 ] - [ 0.0000104800000000, -0.0012483900000000, 0.0000101900000000 ] - [ -0.0000396300000000, -0.0013215800000000, 0.0000359000000000 ] - [ 0.0000054400000000, -0.0011836300000000, -0.0000088200000000 ] - [ -0.0000040900000000, -0.0011998600000000, -0.0000152000000000 ] - [ -0.0000121900000000, 0.0006729100000000, 0.0001154400000000 ] - [ 0.0000151800000000, 0.0007648600000000, 0.0000581500000000 ] - [ 0.0000151000000000, 0.0007159900000000, -0.0001003700000000 ] - [ -0.0000292300000000, 0.0007788900000000, -0.0000680100000000 ] - [ 0.0056214300000000, 0.0064282500000000, 0.0038011800000000 ] - [ -0.0000991400000000, -0.0004528300000000, -0.0001509900000000 ] - [ -0.0001131800000000, -0.0007281000000000, 0.0002470200000000 ] - [ -0.0000476800000000, -0.0007041700000000, 0.0000470100000000 ] - [ -0.0003911200000000, 0.0009130100000000, 0.0003038400000000 ] - [ 0.0005003700000000, 0.0012086000000000, 0.0003975100000000 ] - [ -0.0003189500000000, 0.0014604300000000, -0.0004123000000000 ] - [ 0.0002632500000000, 0.0011929400000000, -0.0001705400000000 ] - [ -0.0000869000000000, 0.0012794600000000, 0.0003124900000000 ] - [ 0.0050138200000000, 0.0074896600000000, -0.0040606100000000 ] - [ -0.0000745500000000, 0.0009852100000000, -0.0000437600000000 ] - [ -0.0000979500000000, 0.0010476200000000, -0.0001961200000000 ] - [ -0.0000048500000000, -0.0009443000000000, 0.0000036800000000 ] - [ 0.0000055000000000, -0.0009518900000000, -0.0000002600000000 ] - [ -0.0000055000000000, -0.0009278200000000, -0.0000040800000000 ] - [ 0.0000051700000000, -0.0009402500000000, 0.0000006000000000 ] - [ -0.0002875000000000, -0.0016114800000000, 0.0002044000000000 ] - [ 0.0003425200000000, -0.0016217000000000, -0.0002592600000000 ] - [ -0.0000710700000000, -0.0013355500000000, 0.0000146900000000 ] - [ 0.0000681900000000, -0.0013324200000000, 0.0000439400000000 ] - [ -0.0000519900000000, 0.0011892800000000, 0.0011884900000000 ] - [ -0.0003366500000000, 0.0001447000000000, -0.0002337900000000 ] - [ 0.0002437700000000, 0.0001048300000000, -0.0000982900000000 ] - [ -0.0002053000000000, -0.0004058700000000, 0.0001968900000000 ] - [ 0.0000021800000000, 0.0004311400000000, -0.0000033500000000 ] - [ -0.0000067400000000, 0.0004897500000000, -0.0000031800000000 ] - [ 0.0000030700000000, 0.0005249700000000, 0.0000033500000000 ] - [ -0.0000052800000000, 0.0005388700000000, 0.0000004700000000 ] - [ 0.0000692800000000, 0.0009735600000000, -0.0001152200000000 ] - [ -0.0000654300000000, 0.0009891900000000, -0.0000804900000000 ] - [ 0.0000637100000000, 0.0010041400000000, 0.0000912000000000 ] - [ -0.0000373200000000, 0.0010339300000000, 0.0000601000000000 ] - [ 0.0006345500000000, -0.0017858800000000, 0.0003850100000000 ] - [ -0.0002559600000000, -0.0015473400000000, -0.0000742200000000 ] - [ 0.0000871400000000, -0.0012746600000000, -0.0000509100000000 ] - [ -0.0000767200000000, -0.0012771100000000, -0.0000325900000000 ] - [ 0.0004930900000000, -0.0004571400000000, 0.0004705300000000 ] - [ 0.0011471800000000, -0.0012885600000000, 0.0007039900000000 ] - [ 0.0009719600000000, -0.0012075800000000, 0.0006768900000000 ] - [ 0.0010657900000000, -0.0012749100000000, 0.0007153100000000 ] - [ 0.0009828300000000, 0.0013131900000000, 0.0005590700000000 ] - [ 0.0010559400000000, 0.0013056200000000, 0.0006119800000000 ] - [ 0.0009835800000000, 0.0012983300000000, 0.0007523800000000 ] - [ 0.0012063800000000, 0.0013477700000000, 0.0007604500000000 ] - [ -0.0132796300000000, -0.0216255900000000, -0.0013450400000000 ] - [ -0.0007224800000000, -0.0001702400000000, -0.0016405000000000 ] - [ -0.0008985800000000, -0.0002291400000000, -0.0015493700000000 ] - [ -0.0007766800000000, -0.0000927800000000, -0.0016129400000000 ] - [ -0.0008123000000000, 0.0000853500000000, -0.0015961200000000 ] - [ -0.0008004700000000, 0.0000669000000000, -0.0015936000000000 ] - [ -0.0008194000000000, 0.0000855400000000, -0.0015649000000000 ] - [ -0.0007995400000000, 0.0000667800000000, -0.0015774000000000 ] - [ 0.0011957200000000, 0.0029185500000000, 0.0001702000000000 ] - [ 0.0017672400000000, -0.0000369500000000, 0.0002854900000000 ] - [ 0.0016547100000000, 0.0000397300000000, 0.0002764900000000 ] - [ 0.0017093700000000, -0.0000472800000000, 0.0003032100000000 ] - [ 0.0017338700000000, 0.0001134700000000, 0.0003223700000000 ] - [ 0.0017287700000000, 0.0000971500000000, 0.0003151200000000 ] - [ 0.0017239300000000, 0.0001139100000000, 0.0002865400000000 ] - [ 0.0017239000000000, 0.0000993200000000, 0.0002958800000000 ] - [ -0.0015452600000000, 0.0003773100000000, -0.0011806700000000 ] - [ -0.0014558800000000, -0.0002469700000000, 0.0002097300000000 ] - [ -0.0019008600000000, -0.0001601200000000, 0.0009924900000000 ] - [ -0.0014829400000000, -0.0002434200000000, 0.0003001600000000 ] - [ -0.0015861900000000, 0.0002330500000000, 0.0003128300000000 ] - [ -0.0015860900000000, 0.0001525200000000, 0.0002888900000000 ] - [ -0.0016418300000000, 0.0000997000000000, 0.0003184800000000 ] - [ -0.0016302000000000, 0.0000966500000000, 0.0003132000000000 ] - [ 0.0007537500000000, -0.0001134900000000, -0.0009649900000000 ] - [ 0.0007795100000000, -0.0001543900000000, -0.0014809100000000 ] - [ 0.0003177200000000, -0.0001124500000000, -0.0025908700000000 ] - [ 0.0007888200000000, -0.0001541500000000, -0.0015974700000000 ] - [ 0.0006876600000000, 0.0001897600000000, -0.0015913600000000 ] - [ 0.0007057100000000, 0.0001540700000000, -0.0015871400000000 ] - [ 0.0007081200000000, 0.0001414700000000, -0.0015888500000000 ] - [ 0.0007148100000000, 0.0001321400000000, -0.0015857500000000 ] - [ -0.0010986000000000, 0.0013489800000000, 0.0007598400000000 ] - [ -0.0010193200000000, 0.0012762100000000, 0.0006942200000000 ] - [ -0.0010460400000000, 0.0013709900000000, 0.0005172800000000 ] - [ -0.0009474500000000, 0.0012808000000000, 0.0005838300000000 ] - [ -0.0009612500000000, -0.0009268800000000, 0.0007082700000000 ] - [ -0.0009265700000000, -0.0011048900000000, 0.0006700400000000 ] - [ -0.0009733800000000, -0.0011523600000000, 0.0006486200000000 ] - [ -0.0009550800000000, -0.0011603900000000, 0.0006499500000000 ] - [ 0.0009015700000000, -0.0010711700000000, -0.0007180500000000 ] - [ 0.0009805100000000, -0.0010804900000000, -0.0007025500000000 ] - [ 0.0009381000000000, -0.0011524000000000, -0.0006237200000000 ] - [ 0.0009727400000000, -0.0011524200000000, -0.0006368900000000 ] - [ 0.0009181900000000, 0.0013147500000000, -0.0005598400000000 ] - [ 0.0011149400000000, 0.0014054700000000, -0.0006218000000000 ] - [ 0.0009828500000000, 0.0012451100000000, -0.0006668300000000 ] - [ 0.0010629300000000, 0.0013098000000000, -0.0007099900000000 ] - [ -0.0015366500000000, 0.0001873300000000, 0.0017606800000000 ] - [ 0.0006727000000000, 0.0001901000000000, 0.0024859300000000 ] - [ -0.0007169000000000, -0.0001815900000000, 0.0015897400000000 ] - [ -0.0006752800000000, -0.0001818200000000, 0.0015485700000000 ] - [ -0.0006968100000000, 0.0001679200000000, 0.0015902700000000 ] - [ -0.0006964300000000, 0.0001682200000000, 0.0015810100000000 ] - [ -0.0007115000000000, 0.0001390900000000, 0.0015901300000000 ] - [ -0.0007112700000000, 0.0001391000000000, 0.0015900700000000 ] - [ 0.0015877000000000, 0.0002018500000000, -0.0002990100000000 ] - [ 0.0015876800000000, 0.0001482300000000, -0.0002823700000000 ] - [ 0.0016422100000000, 0.0001057800000000, -0.0003287900000000 ] - [ 0.0016315800000000, 0.0000994100000000, -0.0003202200000000 ] - [ 0.0026932500000000, 0.0004485600000000, -0.0011323400000000 ] - [ 0.0008952500000000, -0.0001101200000000, -0.0004807400000000 ] - [ 0.0016445300000000, -0.0001558300000000, -0.0002949100000000 ] - [ 0.0015553400000000, -0.0002054800000000, -0.0003208500000000 ] - [ -0.0018473100000000, -0.0001571900000000, -0.0004083400000000 ] - [ -0.0011021900000000, 0.0008248500000000, -0.0006445600000000 ] - [ -0.0017062600000000, -0.0000586100000000, -0.0002508500000000 ] - [ -0.0015934000000000, 0.0000096900000000, -0.0001481600000000 ] - [ -0.0017426100000000, 0.0001224500000000, -0.0003003300000000 ] - [ -0.0017200900000000, 0.0001161500000000, -0.0002894900000000 ] - [ -0.0017292800000000, 0.0000945300000000, -0.0003149500000000 ] - [ -0.0017190200000000, 0.0000912000000000, -0.0003105700000000 ] - [ 0.0011113400000000, -0.0006872200000000, 0.0018125000000000 ] - [ 0.0013388600000000, -0.0005941800000000, 0.0012211400000000 ] - [ 0.0008570900000000, -0.0001447500000000, 0.0015257800000000 ] - [ 0.0008401500000000, -0.0001784900000000, 0.0016370400000000 ] - [ 0.0008201300000000, 0.0000921100000000, 0.0015696300000000 ] - [ 0.0008053500000000, 0.0000743800000000, 0.0015773900000000 ] - [ 0.0008050400000000, 0.0000719500000000, 0.0015946900000000 ] - [ 0.0008031300000000, 0.0000645700000000, 0.0015918500000000 ] - [ 0.0001083500000000, -0.0000730800000000, 0.0001112400000000 ] - [ -0.0011090700000000, -0.0013192300000000, -0.0006274400000000 ] - [ -0.0009831300000000, -0.0011989700000000, -0.0007550900000000 ] - [ -0.0010834100000000, -0.0012624100000000, -0.0007417400000000 ] - [ -0.0009824100000000, 0.0013487900000000, -0.0007161500000000 ] - [ -0.0011611300000000, 0.0013327800000000, -0.0007319000000000 ] - [ -0.0009824200000000, 0.0012878600000000, -0.0005709300000000 ] - [ -0.0010301900000000, 0.0012635200000000, -0.0006415000000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000610500000000, 0.0010714700000000, 0.0001953200000000 ] - [ 0.0002095800000000, 0.0014354500000000, 0.0007309100000000 ] - [ -0.0000063900000000, 0.0009348000000000, -0.0001172400000000 ] - [ 0.0000726600000000, 0.0011778300000000, -0.0004117300000000 ] - [ -0.0000104000000000, -0.0007717200000000, -0.0000091600000000 ] - [ 0.0000305200000000, -0.0007036500000000, -0.0000355400000000 ] - [ -0.0000033700000000, -0.0008379100000000, 0.0000135900000000 ] - [ 0.0000131700000000, -0.0008222000000000, 0.0000139400000000 ] - [ 0.0000120700000000, 0.0013513300000000, -0.0001109800000000 ] - [ -0.0000156200000000, 0.0012643900000000, -0.0000613300000000 ] - [ -0.0000127800000000, 0.0013082000000000, 0.0001079300000000 ] - [ 0.0000366900000000, 0.0012451200000000, 0.0000726100000000 ] - [ -0.0058174400000000, -0.0086435000000000, -0.0039645700000000 ] - [ 0.0001029800000000, -0.0015692700000000, 0.0001566600000000 ] - [ 0.0001182800000000, -0.0012985300000000, -0.0002471100000000 ] - [ 0.0000467700000000, -0.0013251000000000, -0.0000397800000000 ] - [ 0.0003832700000000, 0.0015341500000000, -0.0003098300000000 ] - [ -0.0005037400000000, 0.0012166000000000, -0.0003920400000000 ] - [ 0.0003087800000000, 0.0009726300000000, 0.0004193400000000 ] - [ -0.0002690600000000, 0.0012419800000000, 0.0001661700000000 ] - [ 0.0000874300000000, 0.0001488700000000, -0.0003158800000000 ] - [ -0.0048185800000000, -0.0059021400000000, 0.0039115000000000 ] - [ 0.0000665100000000, 0.0004562800000000, 0.0000301100000000 ] - [ 0.0000990400000000, 0.0003867500000000, 0.0001949100000000 ] - [ 0.0000024900000000, -0.0004724000000000, -0.0000040500000000 ] - [ -0.0000014300000000, -0.0004593900000000, -0.0000061500000000 ] - [ 0.0000092700000000, -0.0004981600000000, 0.0000095300000000 ] - [ -0.0000116600000000, -0.0004787600000000, -0.0000015000000000 ] - [ 0.0002865600000000, -0.0008367000000000, -0.0002088700000000 ] - [ -0.0003525600000000, -0.0008006600000000, 0.0002630700000000 ] - [ 0.0000702900000000, -0.0011479400000000, -0.0000248800000000 ] - [ -0.0000711000000000, -0.0010833900000000, -0.0000499600000000 ] - [ 0.0000806200000000, -0.0026487400000000, -0.0012167100000000 ] - [ 0.0003424000000000, -0.0015797200000000, 0.0002318700000000 ] - [ -0.0002344500000000, -0.0015530000000000, 0.0001047300000000 ] - [ 0.0001929000000000, -0.0010276100000000, -0.0002015900000000 ] - [ -0.0000042000000000, 0.0009849800000000, 0.0000035500000000 ] - [ 0.0000087900000000, 0.0009382700000000, -0.0000082300000000 ] - [ -0.0000100400000000, 0.0009071000000000, -0.0000102200000000 ] - [ -0.0000056900000000, 0.0008852800000000, 0.0000022200000000 ] - [ -0.0000767800000000, 0.0014751000000000, 0.0000981300000000 ] - [ 0.0000437500000000, 0.0014254000000000, 0.0000967300000000 ] - [ -0.0000590500000000, 0.0014595300000000, -0.0000921400000000 ] - [ 0.0000335600000000, 0.0014254800000000, -0.0000598900000000 ] - [ -0.0006236800000000, -0.0006728700000000, -0.0003735600000000 ] - [ 0.0002537900000000, -0.0008675800000000, 0.0000831300000000 ] - [ -0.0000824400000000, -0.0011957200000000, 0.0000484300000000 ] - [ 0.0000690600000000, -0.0011610800000000, 0.0000320400000000 ] - [ 0.0015294100000000, -0.0020312400000000, 0.0008681900000000 ] - [ 0.0008864900000000, -0.0011929400000000, 0.0006395100000000 ] - [ 0.0010510500000000, -0.0012751000000000, 0.0006580300000000 ] - [ 0.0009520600000000, -0.0012004900000000, 0.0006184600000000 ] - [ 0.0010451200000000, 0.0011651300000000, 0.0007798900000000 ] - [ 0.0009693000000000, 0.0011758300000000, 0.0007228200000000 ] - [ 0.0010404000000000, 0.0011836100000000, 0.0005820400000000 ] - [ 0.0008219700000000, 0.0011268700000000, 0.0005836900000000 ] - [ 0.0117957700000000, 0.0217537400000000, -0.0014646100000000 ] - [ -0.0007430200000000, 0.0002899400000000, -0.0015067500000000 ] - [ -0.0005688300000000, 0.0003479700000000, -0.0016031100000000 ] - [ -0.0006874500000000, 0.0002123700000000, -0.0015397100000000 ] - [ -0.0006575500000000, -0.0002015300000000, -0.0015528500000000 ] - [ -0.0006627300000000, -0.0001838000000000, -0.0015526700000000 ] - [ -0.0006461600000000, -0.0002062500000000, -0.0015872500000000 ] - [ -0.0006736600000000, -0.0001842500000000, -0.0015676500000000 ] - [ 0.0021220400000000, -0.0028339900000000, 0.0003950900000000 ] - [ 0.0015425800000000, 0.0000644100000000, 0.0002794900000000 ] - [ 0.0016520600000000, -0.0000125700000000, 0.0002874100000000 ] - [ 0.0016009200000000, 0.0000730600000000, 0.0002629400000000 ] - [ 0.0015663100000000, -0.0001455000000000, 0.0002443000000000 ] - [ 0.0015822600000000, -0.0001221700000000, 0.0002568900000000 ] - [ 0.0015897400000000, -0.0001431800000000, 0.0002798000000000 ] - [ 0.0015834200000000, -0.0001305300000000, 0.0002724900000000 ] - [ -0.0017749600000000, -0.0003982200000000, 0.0017583600000000 ] - [ -0.0018505700000000, 0.0002173200000000, 0.0003545800000000 ] - [ -0.0014162700000000, 0.0001320800000000, -0.0004228000000000 ] - [ -0.0018244800000000, 0.0002196700000000, 0.0002673600000000 ] - [ -0.0017294000000000, -0.0002094000000000, 0.0002582400000000 ] - [ -0.0017214400000000, -0.0001231100000000, 0.0002760700000000 ] - [ -0.0016643300000000, -0.0000737500000000, 0.0002461800000000 ] - [ -0.0016802900000000, -0.0000690400000000, 0.0002503000000000 ] - [ 0.0007133700000000, -0.0000038800000000, -0.0021838900000000 ] - [ 0.0006923200000000, 0.0000365700000000, -0.0016662400000000 ] - [ 0.0011453000000000, -0.0000025900000000, -0.0005574800000000 ] - [ 0.0006737000000000, 0.0000392600000000, -0.0015473300000000 ] - [ 0.0007835000000000, -0.0000755400000000, -0.0015611300000000 ] - [ 0.0007594300000000, -0.0000372100000000, -0.0015668000000000 ] - [ 0.0007602600000000, -0.0000229300000000, -0.0015565800000000 ] - [ 0.0007469100000000, -0.0000155600000000, -0.0015658800000000 ] - [ -0.0009234100000000, 0.0011302800000000, 0.0005753800000000 ] - [ -0.0009932000000000, 0.0012008700000000, 0.0006441600000000 ] - [ -0.0009766000000000, 0.0011109500000000, 0.0008142600000000 ] - [ -0.0010699600000000, 0.0012003300000000, 0.0007562900000000 ] - [ -0.0010592200000000, -0.0015422500000000, 0.0006346400000000 ] - [ -0.0010905700000000, -0.0013793200000000, 0.0006602500000000 ] - [ -0.0010447200000000, -0.0013273500000000, 0.0006943300000000 ] - [ -0.0010681200000000, -0.0013194100000000, 0.0006889000000000 ] - [ 0.0011112800000000, -0.0014023700000000, -0.0006259800000000 ] - [ 0.0010470100000000, -0.0014022900000000, -0.0006349700000000 ] - [ 0.0010760500000000, -0.0013241200000000, -0.0007182600000000 ] - [ 0.0010551000000000, -0.0013264400000000, -0.0006974000000000 ] - [ 0.0011059300000000, 0.0011662500000000, -0.0007706500000000 ] - [ 0.0009086700000000, 0.0010707400000000, -0.0007187000000000 ] - [ 0.0010359000000000, 0.0012376600000000, -0.0006689200000000 ] - [ 0.0009567200000000, 0.0011700600000000, -0.0006271700000000 ] - [ 0.0000748500000000, -0.0003084200000000, 0.0013922500000000 ] - [ -0.0021306600000000, -0.0003007900000000, 0.0006662200000000 ] - [ -0.0007448400000000, 0.0000664700000000, 0.0015542000000000 ] - [ -0.0007965300000000, 0.0000677500000000, 0.0015977600000000 ] - [ -0.0007692500000000, -0.0000522600000000, 0.0015620800000000 ] - [ -0.0007664600000000, -0.0000475500000000, 0.0015656800000000 ] - [ -0.0007540900000000, -0.0000227700000000, 0.0015642200000000 ] - [ -0.0007568400000000, -0.0000230900000000, 0.0015622000000000 ] - [ 0.0017198600000000, -0.0001708400000000, -0.0002658400000000 ] - [ 0.0017263600000000, -0.0001274300000000, -0.0002831900000000 ] - [ 0.0016762000000000, -0.0000753800000000, -0.0002400200000000 ] - [ 0.0016772200000000, -0.0000738900000000, -0.0002455200000000 ] - [ 0.0006131300000000, -0.0004739900000000, 0.0005732900000000 ] - [ 0.0024245200000000, 0.0000824600000000, -0.0000826200000000 ] - [ 0.0016691500000000, 0.0001331300000000, -0.0002771800000000 ] - [ 0.0017611100000000, 0.0001762700000000, -0.0002512400000000 ] - [ -0.0014646500000000, 0.0001801300000000, -0.0001575900000000 ] - [ -0.0022100900000000, -0.0007950800000000, 0.0000779800000000 ] - [ -0.0016097200000000, 0.0000847700000000, -0.0003160100000000 ] - [ -0.0017195700000000, 0.0000155900000000, -0.0004193600000000 ] - [ -0.0015624100000000, -0.0001570800000000, -0.0002691200000000 ] - [ -0.0015923700000000, -0.0001407800000000, -0.0002806100000000 ] - [ -0.0015836300000000, -0.0001271200000000, -0.0002543300000000 ] - [ -0.0015896500000000, -0.0001186700000000, -0.0002550200000000 ] - [ 0.0003566500000000, 0.0008083400000000, 0.0013424600000000 ] - [ 0.0001281100000000, 0.0007136600000000, 0.0019297900000000 ] - [ 0.0006121700000000, 0.0002639900000000, 0.0016131200000000 ] - [ 0.0006226000000000, 0.0002970500000000, 0.0015119800000000 ] - [ 0.0006474800000000, -0.0002076900000000, 0.0015789000000000 ] - [ 0.0006626200000000, -0.0001913800000000, 0.0015702400000000 ] - [ 0.0006592000000000, -0.0001911300000000, 0.0015515800000000 ] - [ 0.0006580000000000, -0.0001898500000000, 0.0015557700000000 ] - [ -0.0021306600000000, -0.0024171800000000, -0.0014450200000000 ] - [ -0.0009067400000000, -0.0011626200000000, -0.0007124500000000 ] - [ -0.0010373300000000, -0.0012772800000000, -0.0005888400000000 ] - [ -0.0009437700000000, -0.0012190400000000, -0.0005934600000000 ] - [ -0.0010410700000000, 0.0011309200000000, -0.0006222300000000 ] - [ -0.0008576200000000, 0.0011482100000000, -0.0006001200000000 ] - [ -0.0010303300000000, 0.0011876000000000, -0.0007696000000000 ] - [ -0.0009961500000000, 0.0012190500000000, -0.0006993700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002618300000000, 0.0005549900000000, -0.0000867700000000 ] - [ -0.0003452700000000, 0.0005355400000000, 0.0005237000000000 ] - [ 0.0000258900000000, 0.0010317000000000, -0.0001347000000000 ] - [ 0.0001530500000000, 0.0014070600000000, -0.0005458200000000 ] - [ -0.0000001200000000, -0.0009558600000000, 0.0000339900000000 ] - [ -0.0000102700000000, -0.0009267300000000, 0.0000361300000000 ] - [ 0.0000120200000000, -0.0009825900000000, -0.0000345700000000 ] - [ -0.0000056900000000, -0.0009758200000000, -0.0000326700000000 ] - [ 0.0000121200000000, 0.0010579700000000, 0.0000732300000000 ] - [ 0.0000123000000000, 0.0010195500000000, 0.0000527700000000 ] - [ -0.0000092800000000, 0.0008931200000000, -0.0000843900000000 ] - [ -0.0000087600000000, 0.0009108400000000, -0.0000575000000000 ] - [ 0.0030561400000000, 0.0037846500000000, 0.0040032700000000 ] - [ 0.0003381100000000, -0.0012527000000000, 0.0004609900000000 ] - [ 0.0001804900000000, -0.0006659000000000, -0.0010207200000000 ] - [ 0.0000080600000000, -0.0009130100000000, -0.0002963600000000 ] - [ 0.0002983900000000, 0.0016836800000000, -0.0000843800000000 ] - [ -0.0004494300000000, 0.0018282000000000, 0.0005350500000000 ] - [ -0.0000732000000000, 0.0012152700000000, -0.0002908000000000 ] - [ 0.0002258600000000, 0.0008273000000000, -0.0003056800000000 ] - [ 0.0001051000000000, 0.0009585500000000, 0.0008210600000000 ] - [ -0.0036462600000000, -0.0030830900000000, 0.0042189400000000 ] - [ 0.0003027100000000, 0.0003758400000000, -0.0004228900000000 ] - [ -0.0004428000000000, 0.0007294000000000, -0.0007566100000000 ] - [ 0.0000012800000000, -0.0007108400000000, 0.0000144200000000 ] - [ -0.0000100800000000, -0.0007060000000000, 0.0000242600000000 ] - [ 0.0000050000000000, -0.0007107300000000, -0.0000191900000000 ] - [ 0.0000037800000000, -0.0007069400000000, -0.0000209800000000 ] - [ -0.0001029500000000, -0.0013460100000000, 0.0002593600000000 ] - [ 0.0000137700000000, -0.0013213300000000, 0.0001152900000000 ] - [ 0.0000466000000000, -0.0011419500000000, -0.0001550600000000 ] - [ -0.0000250800000000, -0.0011556200000000, -0.0001497500000000 ] - [ -0.0059409000000000, -0.0001832300000000, 0.0084923200000000 ] - [ 0.0001201200000000, -0.0008324400000000, 0.0002292700000000 ] - [ -0.0004331400000000, -0.0008212000000000, -0.0008343700000000 ] - [ 0.0003104400000000, -0.0006652000000000, -0.0005472600000000 ] - [ 0.0000047500000000, 0.0006948900000000, 0.0000323400000000 ] - [ 0.0000109400000000, 0.0007035500000000, 0.0000288800000000 ] - [ -0.0000057000000000, 0.0007353800000000, -0.0000312100000000 ] - [ -0.0000057000000000, 0.0007311100000000, -0.0000267100000000 ] - [ -0.0000127700000000, 0.0011785900000000, 0.0000559700000000 ] - [ 0.0000296600000000, 0.0012031000000000, 0.0000504700000000 ] - [ -0.0000397900000000, 0.0012648100000000, -0.0000678700000000 ] - [ 0.0000257800000000, 0.0012725500000000, -0.0000453700000000 ] - [ -0.0001178300000000, -0.0011160000000000, 0.0000599400000000 ] - [ 0.0002200700000000, -0.0010509400000000, 0.0002301200000000 ] - [ -0.0000472600000000, -0.0013587300000000, -0.0001166700000000 ] - [ 0.0000149900000000, -0.0013165900000000, -0.0001194300000000 ] - [ 0.0008224500000000, -0.0011093100000000, 0.0002971700000000 ] - [ 0.0008922500000000, -0.0012478400000000, 0.0004830900000000 ] - [ 0.0010952200000000, -0.0012715100000000, 0.0009030800000000 ] - [ 0.0010189900000000, -0.0012237800000000, 0.0007620200000000 ] - [ 0.0009765900000000, 0.0010663100000000, 0.0006590600000000 ] - [ 0.0009341900000000, 0.0011381600000000, 0.0006807000000000 ] - [ 0.0010023500000000, 0.0013211300000000, 0.0006557300000000 ] - [ 0.0010740800000000, 0.0012966500000000, 0.0006777900000000 ] - [ 0.0072737400000000, 0.0000939100000000, -0.0234688400000000 ] - [ -0.0008514000000000, -0.0000223200000000, -0.0017420800000000 ] - [ -0.0008400800000000, 0.0000703000000000, -0.0011819000000000 ] - [ -0.0009098000000000, 0.0000057500000000, -0.0013718900000000 ] - [ -0.0007554200000000, -0.0000535200000000, -0.0015876400000000 ] - [ -0.0007626900000000, -0.0000412500000000, -0.0015891300000000 ] - [ -0.0007686100000000, -0.0000221500000000, -0.0015881300000000 ] - [ -0.0007683000000000, -0.0000249900000000, -0.0015891500000000 ] - [ 0.0018730500000000, -0.0004281100000000, -0.0001718800000000 ] - [ 0.0015189800000000, 0.0001154100000000, 0.0001459300000000 ] - [ 0.0017315900000000, 0.0000905200000000, 0.0006368800000000 ] - [ 0.0016471700000000, 0.0000668200000000, 0.0004038300000000 ] - [ 0.0016860600000000, 0.0000009800000000, 0.0003085100000000 ] - [ 0.0016782600000000, -0.0000063400000000, 0.0003068500000000 ] - [ 0.0016746900000000, -0.0000291700000000, 0.0003191800000000 ] - [ 0.0016663900000000, -0.0000279700000000, 0.0003125100000000 ] - [ -0.0014273900000000, -0.0019557400000000, 0.0027346500000000 ] - [ -0.0017981200000000, 0.0000091800000000, 0.0003617300000000 ] - [ -0.0017674200000000, 0.0002961200000000, 0.0008714500000000 ] - [ -0.0017374300000000, 0.0000693400000000, 0.0003566300000000 ] - [ -0.0016574400000000, 0.0000293900000000, 0.0002740200000000 ] - [ -0.0016633600000000, 0.0000185700000000, 0.0002792200000000 ] - [ -0.0016935200000000, 0.0000002800000000, 0.0003479800000000 ] - [ -0.0016946700000000, 0.0000017100000000, 0.0003426800000000 ] - [ 0.0016802600000000, 0.0009759700000000, -0.0003281300000000 ] - [ 0.0006658800000000, -0.0000214700000000, -0.0016195800000000 ] - [ 0.0008600600000000, -0.0006488300000000, -0.0003421900000000 ] - [ 0.0006630100000000, -0.0001383700000000, -0.0016188500000000 ] - [ 0.0007631200000000, 0.0000278700000000, -0.0016054800000000 ] - [ 0.0007591600000000, 0.0000320800000000, -0.0016030000000000 ] - [ 0.0007721800000000, 0.0000307900000000, -0.0015729600000000 ] - [ 0.0007673000000000, 0.0000333200000000, -0.0015770300000000 ] - [ -0.0010037400000000, 0.0013008800000000, 0.0006400100000000 ] - [ -0.0010617700000000, 0.0013127100000000, 0.0006872000000000 ] - [ -0.0009256900000000, 0.0011255300000000, 0.0006527000000000 ] - [ -0.0010243200000000, 0.0011947600000000, 0.0006835200000000 ] - [ -0.0009726800000000, -0.0012552200000000, 0.0006145100000000 ] - [ -0.0010018000000000, -0.0012411700000000, 0.0006190100000000 ] - [ -0.0009845400000000, -0.0012048500000000, 0.0006965900000000 ] - [ -0.0010082300000000, -0.0012182000000000, 0.0006965600000000 ] - [ 0.0010114700000000, -0.0012498900000000, -0.0006662300000000 ] - [ 0.0009926500000000, -0.0012869800000000, -0.0006601600000000 ] - [ 0.0009788700000000, -0.0011881800000000, -0.0006529400000000 ] - [ 0.0009765600000000, -0.0012030600000000, -0.0006486100000000 ] - [ 0.0010640800000000, 0.0012903700000000, -0.0007320900000000 ] - [ 0.0010340300000000, 0.0012496200000000, -0.0007561500000000 ] - [ 0.0009764600000000, 0.0012285500000000, -0.0005995300000000 ] - [ 0.0009040600000000, 0.0011492300000000, -0.0005480200000000 ] - [ -0.0020338600000000, 0.0008645400000000, 0.0010419900000000 ] - [ -0.0006629100000000, 0.0001384700000000, 0.0010431700000000 ] - [ -0.0006230300000000, -0.0000697100000000, 0.0018442800000000 ] - [ -0.0006923700000000, -0.0000288000000000, 0.0018442500000000 ] - [ -0.0007635800000000, 0.0000382000000000, 0.0015868600000000 ] - [ -0.0007674600000000, 0.0000287800000000, 0.0015863100000000 ] - [ -0.0007669800000000, 0.0000289200000000, 0.0015917300000000 ] - [ -0.0007641800000000, 0.0000295200000000, 0.0015920600000000 ] - [ 0.0016598400000000, 0.0000620300000000, -0.0003318500000000 ] - [ 0.0016633100000000, 0.0000437900000000, -0.0003239500000000 ] - [ 0.0016862500000000, -0.0000209800000000, -0.0002934000000000 ] - [ 0.0016928800000000, -0.0000169900000000, -0.0002991200000000 ] - [ 0.0007428000000000, -0.0012173500000000, -0.0007454000000000 ] - [ 0.0020626100000000, -0.0001250200000000, -0.0004960500000000 ] - [ 0.0016458700000000, 0.0000282000000000, 0.0000428300000000 ] - [ 0.0016110200000000, 0.0000216100000000, -0.0001108000000000 ] - [ -0.0016419200000000, 0.0000239800000000, -0.0004155500000000 ] - [ -0.0022009800000000, -0.0007264200000000, -0.0000813200000000 ] - [ -0.0016592500000000, 0.0001149700000000, -0.0002298000000000 ] - [ -0.0015641000000000, 0.0001290900000000, -0.0002624100000000 ] - [ -0.0016857900000000, -0.0000041800000000, -0.0003252300000000 ] - [ -0.0016828800000000, -0.0000140600000000, -0.0003276200000000 ] - [ -0.0016707800000000, -0.0000175100000000, -0.0002972300000000 ] - [ -0.0016668800000000, -0.0000254300000000, -0.0002960200000000 ] - [ 0.0013120300000000, -0.0001933300000000, 0.0017056500000000 ] - [ -0.0000804900000000, 0.0003979700000000, 0.0021928500000000 ] - [ -0.0000914500000000, 0.0000893800000000, 0.0029231100000000 ] - [ 0.0008704100000000, -0.0000193600000000, 0.0015878200000000 ] - [ 0.0007629500000000, -0.0000489000000000, 0.0015641700000000 ] - [ 0.0007648900000000, -0.0000409600000000, 0.0015707800000000 ] - [ 0.0007637200000000, -0.0000235100000000, 0.0016105500000000 ] - [ 0.0007629200000000, -0.0000266400000000, 0.0016080500000000 ] - [ -0.0004484600000000, -0.0006661800000000, -0.0002260400000000 ] - [ -0.0010144700000000, -0.0011302100000000, -0.0007063400000000 ] - [ -0.0010780500000000, -0.0013796000000000, -0.0005892600000000 ] - [ -0.0009174000000000, -0.0012924800000000, -0.0005831500000000 ] - [ -0.0009829600000000, 0.0011228100000000, -0.0007726900000000 ] - [ -0.0009975800000000, 0.0011828100000000, -0.0007582400000000 ] - [ -0.0009796800000000, 0.0012532500000000, -0.0005503700000000 ] - [ -0.0009877500000000, 0.0012691600000000, -0.0005678800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002604400000000, 0.0013900300000000, 0.0000876100000000 ] - [ 0.0003445800000000, 0.0014076500000000, -0.0005182900000000 ] - [ -0.0000256100000000, 0.0009104700000000, 0.0001353200000000 ] - [ -0.0001543100000000, 0.0005324100000000, 0.0005445700000000 ] - [ -0.0000005700000000, -0.0009892300000000, -0.0000344800000000 ] - [ 0.0000107700000000, -0.0010158200000000, -0.0000368500000000 ] - [ -0.0000124300000000, -0.0009608700000000, 0.0000337200000000 ] - [ 0.0000057000000000, -0.0009682600000000, 0.0000330600000000 ] - [ -0.0000121900000000, 0.0008878400000000, -0.0000729700000000 ] - [ -0.0000128000000000, 0.0009243400000000, -0.0000517800000000 ] - [ 0.0000079600000000, 0.0010518600000000, 0.0000820000000000 ] - [ 0.0000064700000000, 0.0010324700000000, 0.0000576500000000 ] - [ -0.0031184700000000, -0.0058082200000000, -0.0040011700000000 ] - [ -0.0003357700000000, -0.0006924200000000, -0.0004650800000000 ] - [ -0.0001792900000000, -0.0012774200000000, 0.0010181000000000 ] - [ -0.0000095500000000, -0.0010308500000000, 0.0002964500000000 ] - [ -0.0002977000000000, 0.0007741600000000, 0.0000850300000000 ] - [ 0.0004482100000000, 0.0006247800000000, -0.0005299400000000 ] - [ 0.0000739900000000, 0.0012438000000000, 0.0002900400000000 ] - [ -0.0002247300000000, 0.0016267600000000, 0.0003057800000000 ] - [ -0.0001048700000000, 0.0004725300000000, -0.0008218600000000 ] - [ 0.0037409300000000, 0.0046163400000000, -0.0042511900000000 ] - [ -0.0002989100000000, 0.0010512700000000, 0.0004256400000000 ] - [ 0.0004395200000000, 0.0007007600000000, 0.0007565200000000 ] - [ -0.0000022900000000, -0.0007175500000000, -0.0000137800000000 ] - [ 0.0000093400000000, -0.0007257500000000, -0.0000220600000000 ] - [ -0.0000050500000000, -0.0007186600000000, 0.0000187300000000 ] - [ -0.0000023800000000, -0.0007212100000000, 0.0000210200000000 ] - [ 0.0001030000000000, -0.0011125100000000, -0.0002592300000000 ] - [ -0.0000110500000000, -0.0011312600000000, -0.0001166900000000 ] - [ -0.0000466400000000, -0.0013149300000000, 0.0001557400000000 ] - [ 0.0000247700000000, -0.0012980200000000, 0.0001501800000000 ] - [ 0.0056435400000000, -0.0012277600000000, -0.0081631000000000 ] - [ -0.0001183900000000, -0.0005979000000000, -0.0002245200000000 ] - [ 0.0004342000000000, -0.0006040900000000, 0.0008307900000000 ] - [ -0.0003093700000000, -0.0007639800000000, 0.0005479400000000 ] - [ -0.0000084600000000, 0.0007325000000000, -0.0000346800000000 ] - [ -0.0000118300000000, 0.0007193600000000, -0.0000310800000000 ] - [ 0.0000068000000000, 0.0006927400000000, 0.0000321200000000 ] - [ 0.0000045800000000, 0.0006964400000000, 0.0000265800000000 ] - [ 0.0000126800000000, 0.0012745800000000, -0.0000538600000000 ] - [ -0.0000279300000000, 0.0012490800000000, -0.0000509000000000 ] - [ 0.0000394600000000, 0.0011854700000000, 0.0000676700000000 ] - [ -0.0000265800000000, 0.0011795200000000, 0.0000452900000000 ] - [ 0.0001153700000000, -0.0013345900000000, -0.0000625800000000 ] - [ -0.0002185500000000, -0.0014001900000000, -0.0002326400000000 ] - [ 0.0000486200000000, -0.0010944800000000, 0.0001177000000000 ] - [ -0.0000135300000000, -0.0011357800000000, 0.0001211300000000 ] - [ 0.0011566300000000, -0.0013402700000000, 0.0010192200000000 ] - [ 0.0010873300000000, -0.0012054600000000, 0.0008342100000000 ] - [ 0.0008849500000000, -0.0011828800000000, 0.0004145900000000 ] - [ 0.0009613700000000, -0.0012299600000000, 0.0005561800000000 ] - [ 0.0010038000000000, 0.0013861200000000, 0.0006589300000000 ] - [ 0.0010456200000000, 0.0013152700000000, 0.0006367700000000 ] - [ 0.0009782700000000, 0.0011321000000000, 0.0006626200000000 ] - [ 0.0009062100000000, 0.0011574500000000, 0.0006400500000000 ] - [ -0.0085276400000000, -0.0000506900000000, 0.0199481100000000 ] - [ -0.0006805600000000, 0.0000887500000000, -0.0014339000000000 ] - [ -0.0006912200000000, -0.0000024700000000, -0.0019934400000000 ] - [ -0.0006221600000000, 0.0000601500000000, -0.0018037000000000 ] - [ -0.0007752700000000, -0.0000126400000000, -0.0015887100000000 ] - [ -0.0007690500000000, -0.0000249400000000, -0.0015871700000000 ] - [ -0.0007620800000000, -0.0000443000000000, -0.0015881900000000 ] - [ -0.0007630000000000, -0.0000412600000000, -0.0015866400000000 ] - [ 0.0014849100000000, 0.0004474600000000, 0.0007939100000000 ] - [ 0.0018375400000000, -0.0000867700000000, 0.0004746900000000 ] - [ 0.0016251900000000, -0.0000609900000000, -0.0000154100000000 ] - [ 0.0017103500000000, -0.0000379000000000, 0.0002180000000000 ] - [ 0.0016712200000000, -0.0000298200000000, 0.0003117800000000 ] - [ 0.0016785400000000, -0.0000219800000000, 0.0003138800000000 ] - [ 0.0016834800000000, 0.0000014900000000, 0.0003024700000000 ] - [ 0.0016904700000000, -0.0000009100000000, 0.0003086600000000 ] - [ -0.0019309200000000, 0.0018973900000000, -0.0020708800000000 ] - [ -0.0015608800000000, -0.0000378300000000, 0.0002577300000000 ] - [ -0.0015899500000000, -0.0003287900000000, -0.0002550300000000 ] - [ -0.0016194600000000, -0.0000983700000000, 0.0002643100000000 ] - [ -0.0016990400000000, -0.0000001300000000, 0.0003466300000000 ] - [ -0.0016938600000000, 0.0000099000000000, 0.0003408900000000 ] - [ -0.0016634800000000, 0.0000289000000000, 0.0002732600000000 ] - [ -0.0016630300000000, 0.0000271000000000, 0.0002785200000000 ] - [ -0.0001445900000000, -0.0010313400000000, -0.0028327300000000 ] - [ 0.0008641300000000, -0.0000450500000000, -0.0015586600000000 ] - [ 0.0006730600000000, 0.0005918400000000, -0.0028464300000000 ] - [ 0.0008689600000000, 0.0000724300000000, -0.0015568100000000 ] - [ 0.0007684800000000, 0.0000383900000000, -0.0015709700000000 ] - [ 0.0007718400000000, 0.0000346700000000, -0.0015736500000000 ] - [ 0.0007599800000000, 0.0000362300000000, -0.0016030700000000 ] - [ 0.0007638900000000, 0.0000334200000000, -0.0015989700000000 ] - [ -0.0009767500000000, 0.0011528300000000, 0.0006774200000000 ] - [ -0.0009176400000000, 0.0011413300000000, 0.0006303000000000 ] - [ -0.0010550600000000, 0.0013278200000000, 0.0006661200000000 ] - [ -0.0009566800000000, 0.0012593600000000, 0.0006351900000000 ] - [ -0.0010075500000000, -0.0011986700000000, 0.0007035600000000 ] - [ -0.0009782800000000, -0.0012124000000000, 0.0006982400000000 ] - [ -0.0009952500000000, -0.0012490200000000, 0.0006197500000000 ] - [ -0.0009720400000000, -0.0012347300000000, 0.0006218000000000 ] - [ 0.0009671900000000, -0.0012036000000000, -0.0006500200000000 ] - [ 0.0009883000000000, -0.0011661600000000, -0.0006577500000000 ] - [ 0.0010019500000000, -0.0012652600000000, -0.0006651900000000 ] - [ 0.0010032300000000, -0.0012498000000000, -0.0006694200000000 ] - [ 0.0009155100000000, 0.0011633600000000, -0.0005854000000000 ] - [ 0.0009452500000000, 0.0012027900000000, -0.0005621500000000 ] - [ 0.0010032900000000, 0.0012237800000000, -0.0007184200000000 ] - [ 0.0010772400000000, 0.0013059600000000, -0.0007691000000000 ] - [ 0.0005035500000000, -0.0009318600000000, 0.0021285900000000 ] - [ -0.0008721400000000, -0.0002072300000000, 0.0021299200000000 ] - [ -0.0009085700000000, 0.0000040400000000, 0.0013335800000000 ] - [ -0.0008394100000000, -0.0000374000000000, 0.0013324300000000 ] - [ -0.0007686300000000, 0.0000285500000000, 0.0015901300000000 ] - [ -0.0007639000000000, 0.0000377800000000, 0.0015900600000000 ] - [ -0.0007646900000000, 0.0000372300000000, 0.0015845200000000 ] - [ -0.0007676000000000, 0.0000371100000000, 0.0015838900000000 ] - [ 0.0016970500000000, -0.0000329300000000, -0.0002887600000000 ] - [ 0.0016930900000000, -0.0000149500000000, -0.0002964000000000 ] - [ 0.0016709100000000, 0.0000499400000000, -0.0003273500000000 ] - [ 0.0016644600000000, 0.0000460000000000, -0.0003213300000000 ] - [ 0.0026106500000000, 0.0011852600000000, 0.0001208400000000 ] - [ 0.0012926800000000, 0.0000970200000000, -0.0001274400000000 ] - [ 0.0017098200000000, -0.0000571100000000, -0.0006614500000000 ] - [ 0.0017457500000000, -0.0000502200000000, -0.0005097600000000 ] - [ -0.0017149800000000, 0.0000044500000000, -0.0002053900000000 ] - [ -0.0011557900000000, 0.0007545100000000, -0.0005387500000000 ] - [ -0.0016980400000000, -0.0000845700000000, -0.0003910000000000 ] - [ -0.0017939400000000, -0.0001000000000000, -0.0003594000000000 ] - [ -0.0016713700000000, -0.0000247100000000, -0.0002957900000000 ] - [ -0.0016740200000000, -0.0000139000000000, -0.0002935800000000 ] - [ -0.0016874500000000, -0.0000101600000000, -0.0003240600000000 ] - [ -0.0016894700000000, -0.0000034700000000, -0.0003240600000000 ] - [ 0.0002164800000000, 0.0002577200000000, 0.0014701300000000 ] - [ 0.0016147500000000, -0.0003303900000000, 0.0009809500000000 ] - [ 0.0016174100000000, -0.0000225700000000, 0.0002625200000000 ] - [ 0.0006616400000000, 0.0000853100000000, 0.0015871700000000 ] - [ 0.0007680800000000, -0.0000173600000000, 0.0016122000000000 ] - [ 0.0007666600000000, -0.0000253300000000, 0.0016050900000000 ] - [ 0.0007675600000000, -0.0000421100000000, 0.0015659300000000 ] - [ 0.0007680400000000, -0.0000393500000000, 0.0015687600000000 ] - [ -0.0015284400000000, -0.0017830900000000, -0.0010912100000000 ] - [ -0.0009660600000000, -0.0013229000000000, -0.0006102400000000 ] - [ -0.0009031600000000, -0.0010745700000000, -0.0007285000000000 ] - [ -0.0010616500000000, -0.0011608800000000, -0.0007342400000000 ] - [ -0.0009964600000000, 0.0013303200000000, -0.0005453600000000 ] - [ -0.0009825900000000, 0.0012705100000000, -0.0005600200000000 ] - [ -0.0010009500000000, 0.0012004700000000, -0.0007666900000000 ] - [ -0.0009928400000000, 0.0011835700000000, -0.0007495500000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006392500000000, 0.0004538500000000, 0.0003913100000000 ] - [ 0.0055892900000000, 0.0010432500000000, 0.0073133000000000 ] - [ -0.0004587300000000, 0.0006743300000000, -0.0005680500000000 ] - [ 0.0006264400000000, 0.0003242100000000, 0.0001945000000000 ] - [ -0.0003327100000000, -0.0005616400000000, 0.0001004200000000 ] - [ 0.0003888400000000, -0.0006094100000000, -0.0001348900000000 ] - [ -0.0001127400000000, -0.0008043200000000, -0.0000167100000000 ] - [ 0.0001189900000000, -0.0008542800000000, -0.0000076000000000 ] - [ 0.0000202100000000, 0.0009786400000000, -0.0000009700000000 ] - [ -0.0000118600000000, 0.0009664000000000, 0.0000137000000000 ] - [ 0.0000016000000000, 0.0009685000000000, -0.0000163200000000 ] - [ -0.0000197900000000, 0.0009672300000000, -0.0000108600000000 ] - [ 0.0002159500000000, -0.0007099700000000, 0.0001449300000000 ] - [ -0.0002018600000000, -0.0005837300000000, -0.0000695600000000 ] - [ 0.0000675400000000, -0.0008031400000000, -0.0000176900000000 ] - [ -0.0000756900000000, -0.0007316200000000, -0.0000571800000000 ] - [ -0.0000582600000000, 0.0013713600000000, 0.0000142200000000 ] - [ 0.0000639700000000, 0.0014529600000000, -0.0000610800000000 ] - [ -0.0000216400000000, 0.0013661400000000, 0.0000255800000000 ] - [ 0.0000442400000000, 0.0013716300000000, 0.0000260100000000 ] - [ -0.0007004700000000, 0.0000260500000000, 0.0001208000000000 ] - [ 0.0060690300000000, -0.0054975200000000, -0.0022303000000000 ] - [ -0.0001062200000000, 0.0005398500000000, -0.0000195100000000 ] - [ 0.0001911000000000, 0.0007570800000000, -0.0001987500000000 ] - [ -0.0001064000000000, -0.0005452200000000, 0.0000839900000000 ] - [ 0.0000748300000000, -0.0005905300000000, 0.0000379600000000 ] - [ -0.0000573900000000, -0.0005696200000000, -0.0000435600000000 ] - [ 0.0000881400000000, -0.0005606700000000, -0.0000684000000000 ] - [ -0.0000007400000000, -0.0011609000000000, 0.0000141800000000 ] - [ 0.0000385300000000, -0.0011171700000000, -0.0000023900000000 ] - [ -0.0000211200000000, -0.0011684600000000, 0.0000053600000000 ] - [ 0.0000123800000000, -0.0011739400000000, 0.0000060000000000 ] - [ 0.0005014700000000, -0.0008644200000000, -0.0000101800000000 ] - [ -0.0005673000000000, -0.0001633900000000, -0.0003817200000000 ] - [ 0.0001525500000000, -0.0006955800000000, -0.0000338800000000 ] - [ -0.0002711900000000, -0.0007531600000000, 0.0002400700000000 ] - [ 0.0000103300000000, 0.0008609200000000, -0.0000119300000000 ] - [ -0.0000260100000000, 0.0008015100000000, 0.0000161500000000 ] - [ 0.0000150200000000, 0.0007817700000000, 0.0000264100000000 ] - [ -0.0000062100000000, 0.0007804400000000, -0.0000138200000000 ] - [ 0.0001921900000000, 0.0016138700000000, 0.0006713100000000 ] - [ -0.0002188700000000, 0.0010063500000000, -0.0000946800000000 ] - [ 0.0000297300000000, 0.0014853300000000, -0.0004524300000000 ] - [ -0.0000764400000000, 0.0012020300000000, -0.0000533900000000 ] - [ 0.0037685500000000, -0.0059372400000000, 0.0020807900000000 ] - [ -0.0006248000000000, -0.0018604600000000, -0.0000072900000000 ] - [ 0.0001496300000000, -0.0014776900000000, -0.0000355500000000 ] - [ -0.0002672100000000, -0.0016491200000000, -0.0000978100000000 ] - [ 0.0009731200000000, -0.0013053700000000, 0.0006350900000000 ] - [ 0.0010262000000000, -0.0013192200000000, 0.0006680300000000 ] - [ 0.0009880800000000, -0.0012705100000000, 0.0006386500000000 ] - [ 0.0009930200000000, -0.0012892100000000, 0.0006562700000000 ] - [ 0.0009288300000000, 0.0011684100000000, 0.0006612300000000 ] - [ 0.0009666600000000, 0.0011851400000000, 0.0006579100000000 ] - [ 0.0009323200000000, 0.0011759300000000, 0.0006504100000000 ] - [ 0.0009429200000000, 0.0011867500000000, 0.0006531600000000 ] - [ -0.0013994400000000, -0.0004565800000000, -0.0013969300000000 ] - [ -0.0004805200000000, 0.0001145000000000, -0.0017502500000000 ] - [ -0.0008578000000000, -0.0000076600000000, -0.0015380800000000 ] - [ -0.0007231100000000, 0.0000485600000000, -0.0016268800000000 ] - [ -0.0007653900000000, -0.0000609000000000, -0.0015984000000000 ] - [ -0.0007593100000000, -0.0000675600000000, -0.0016053300000000 ] - [ -0.0007668800000000, -0.0000811600000000, -0.0015806400000000 ] - [ -0.0007415200000000, -0.0000725900000000, -0.0015873700000000 ] - [ -0.0199122900000000, 0.0126350200000000, -0.0078512200000000 ] - [ 0.0019636400000000, -0.0000432000000000, 0.0003508200000000 ] - [ 0.0015330900000000, 0.0001821800000000, 0.0003299400000000 ] - [ 0.0018163400000000, 0.0000612300000000, 0.0004998100000000 ] - [ 0.0015841000000000, -0.0001092500000000, 0.0002311100000000 ] - [ 0.0017393100000000, 0.0000229500000000, 0.0003319000000000 ] - [ 0.0015683200000000, -0.0001515400000000, 0.0003558500000000 ] - [ 0.0017474600000000, -0.0000252000000000, 0.0003811700000000 ] - [ -0.0017018300000000, -0.0000569300000000, 0.0003714800000000 ] - [ -0.0015866700000000, -0.0001336000000000, 0.0003567600000000 ] - [ -0.0017038400000000, -0.0000203300000000, 0.0003010200000000 ] - [ -0.0015958400000000, -0.0000938600000000, 0.0002751900000000 ] - [ -0.0017239200000000, -0.0000619900000000, 0.0003280700000000 ] - [ -0.0016976400000000, -0.0000415600000000, 0.0003155600000000 ] - [ -0.0017109300000000, -0.0000371500000000, 0.0003246700000000 ] - [ -0.0016964200000000, -0.0000304100000000, 0.0003239000000000 ] - [ 0.0005106400000000, -0.0002389300000000, -0.0015077600000000 ] - [ 0.0010337700000000, 0.0001765200000000, -0.0015311700000000 ] - [ 0.0003303500000000, 0.0001164500000000, -0.0018424600000000 ] - [ 0.0011380800000000, 0.0002016600000000, -0.0014757900000000 ] - [ 0.0007748000000000, -0.0000750900000000, -0.0016102700000000 ] - [ 0.0008467100000000, -0.0000764600000000, -0.0016065700000000 ] - [ 0.0007880800000000, -0.0000211300000000, -0.0015756200000000 ] - [ 0.0008253600000000, -0.0000287300000000, -0.0015767100000000 ] - [ -0.0013343000000000, 0.0015996100000000, 0.0006387600000000 ] - [ -0.0008333500000000, 0.0012408800000000, 0.0005942100000000 ] - [ -0.0014178900000000, 0.0011467500000000, 0.0014950300000000 ] - [ -0.0007945800000000, 0.0012815800000000, 0.0005748400000000 ] - [ -0.0014240600000000, -0.0021016000000000, 0.0003606200000000 ] - [ -0.0007058000000000, -0.0010964900000000, 0.0005979000000000 ] - [ -0.0010285000000000, -0.0012443100000000, 0.0007897600000000 ] - [ -0.0009026900000000, -0.0011658700000000, 0.0006766800000000 ] - [ 0.0015321600000000, -0.0020602900000000, -0.0000746100000000 ] - [ 0.0008779500000000, -0.0010663500000000, -0.0006978400000000 ] - [ 0.0009660900000000, -0.0012254600000000, -0.0007848700000000 ] - [ 0.0009246300000000, -0.0011405500000000, -0.0006233200000000 ] - [ 0.0017777400000000, 0.0007501800000000, -0.0015608500000000 ] - [ 0.0013601900000000, 0.0017335100000000, -0.0006816400000000 ] - [ 0.0009764600000000, 0.0012964400000000, -0.0005252700000000 ] - [ 0.0010017300000000, 0.0013471800000000, -0.0006131300000000 ] - [ 0.0001490500000000, 0.0007570400000000, 0.0012148300000000 ] - [ 0.0006436200000000, -0.0010375800000000, 0.0025298800000000 ] - [ -0.0008376600000000, 0.0000984900000000, 0.0016615300000000 ] - [ -0.0008207500000000, 0.0000138800000000, 0.0016240900000000 ] - [ -0.0007904000000000, -0.0000719000000000, 0.0016053500000000 ] - [ -0.0008440400000000, -0.0000719600000000, 0.0016109300000000 ] - [ -0.0007913400000000, -0.0000266000000000, 0.0015714000000000 ] - [ -0.0008061400000000, -0.0000181000000000, 0.0015801100000000 ] - [ 0.0017068300000000, -0.0000520600000000, -0.0003193800000000 ] - [ 0.0017087600000000, -0.0000493300000000, -0.0003244100000000 ] - [ 0.0016922600000000, -0.0000394800000000, -0.0003256400000000 ] - [ 0.0017139900000000, -0.0000323100000000, -0.0003265000000000 ] - [ 0.0016260800000000, -0.0000267400000000, -0.0003026500000000 ] - [ 0.0016204800000000, -0.0001866500000000, -0.0003098000000000 ] - [ 0.0016705700000000, -0.0000168800000000, -0.0003141500000000 ] - [ 0.0016605400000000, -0.0000785000000000, -0.0003711100000000 ] - [ 0.0004260900000000, 0.0007460900000000, 0.0009931000000000 ] - [ 0.0000593300000000, 0.0006192100000000, -0.0018384700000000 ] - [ -0.0016290000000000, 0.0001205100000000, -0.0003935400000000 ] - [ -0.0010359800000000, 0.0000182400000000, 0.0005732500000000 ] - [ -0.0015610200000000, -0.0001989900000000, -0.0003609900000000 ] - [ -0.0017601600000000, 0.0000460200000000, -0.0003838300000000 ] - [ -0.0015836800000000, -0.0001143000000000, -0.0002400400000000 ] - [ -0.0017044000000000, -0.0000033200000000, -0.0003151700000000 ] - [ 0.0006739700000000, 0.0001881200000000, 0.0016268700000000 ] - [ 0.0014792200000000, -0.0005515200000000, 0.0010665900000000 ] - [ 0.0007291900000000, 0.0000501800000000, 0.0016094100000000 ] - [ 0.0008066500000000, -0.0000672700000000, 0.0017078300000000 ] - [ 0.0007593500000000, -0.0000845100000000, 0.0015830300000000 ] - [ 0.0007634600000000, -0.0000646900000000, 0.0015836100000000 ] - [ 0.0007693000000000, -0.0000707100000000, 0.0015993400000000 ] - [ 0.0007616800000000, -0.0000612200000000, 0.0016057300000000 ] - [ -0.0010121800000000, -0.0012938400000000, -0.0006682800000000 ] - [ -0.0010341300000000, -0.0013209700000000, -0.0006606300000000 ] - [ -0.0009758500000000, -0.0012730100000000, -0.0006471200000000 ] - [ -0.0009835000000000, -0.0012972300000000, -0.0006323200000000 ] - [ -0.0009429400000000, 0.0011837300000000, -0.0006537900000000 ] - [ -0.0009493400000000, 0.0011574500000000, -0.0006583500000000 ] - [ -0.0009623900000000, 0.0011872700000000, -0.0006544800000000 ] - [ -0.0009468100000000, 0.0011785100000000, -0.0006594800000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006411300000000, 0.0013569000000000, -0.0004041100000000 ] - [ -0.0055371800000000, 0.0007795200000000, -0.0071399500000000 ] - [ 0.0004637300000000, 0.0011206400000000, 0.0005753000000000 ] - [ -0.0006313100000000, 0.0014815400000000, -0.0002104900000000 ] - [ 0.0003178700000000, -0.0012580000000000, -0.0001083900000000 ] - [ -0.0003792900000000, -0.0012050100000000, 0.0001280000000000 ] - [ 0.0001058800000000, -0.0010034400000000, 0.0000177000000000 ] - [ -0.0001260100000000, -0.0009535200000000, 0.0000174900000000 ] - [ -0.0000163000000000, 0.0008419400000000, -0.0000091900000000 ] - [ 0.0000129300000000, 0.0008488500000000, 0.0000020600000000 ] - [ -0.0000058000000000, 0.0008499600000000, 0.0000038800000000 ] - [ 0.0000079800000000, 0.0008539300000000, 0.0000035300000000 ] - [ -0.0002179400000000, -0.0011022000000000, -0.0001448400000000 ] - [ 0.0002015000000000, -0.0012314600000000, 0.0000521900000000 ] - [ -0.0000621200000000, -0.0010145000000000, 0.0000358400000000 ] - [ 0.0000779800000000, -0.0010769500000000, 0.0000467500000000 ] - [ 0.0000465500000000, 0.0011344700000000, -0.0000009100000000 ] - [ -0.0000540900000000, 0.0010523100000000, 0.0000433300000000 ] - [ 0.0000369700000000, 0.0011517200000000, -0.0000193700000000 ] - [ -0.0000337500000000, 0.0011106600000000, -0.0000165100000000 ] - [ 0.0007001700000000, 0.0013641900000000, -0.0001323300000000 ] - [ -0.0059772600000000, 0.0066634700000000, 0.0021128400000000 ] - [ 0.0001276100000000, 0.0008414800000000, 0.0000668700000000 ] - [ -0.0001996400000000, 0.0006321500000000, 0.0002214100000000 ] - [ 0.0000871100000000, -0.0008331800000000, -0.0000701600000000 ] - [ -0.0000771500000000, -0.0007994000000000, -0.0000152400000000 ] - [ 0.0000490100000000, -0.0008244700000000, 0.0000217100000000 ] - [ -0.0000658900000000, -0.0008200000000000, 0.0000566500000000 ] - [ 0.0000202600000000, -0.0013425500000000, -0.0000112400000000 ] - [ -0.0000148500000000, -0.0013589500000000, -0.0000090000000000 ] - [ 0.0000113700000000, -0.0013227400000000, 0.0000047500000000 ] - [ -0.0000141600000000, -0.0013346700000000, 0.0000161000000000 ] - [ -0.0005119200000000, -0.0005221100000000, -0.0000156900000000 ] - [ 0.0005696800000000, -0.0012521700000000, 0.0003757800000000 ] - [ -0.0001606800000000, -0.0006643200000000, 0.0000159900000000 ] - [ 0.0002987300000000, -0.0006374000000000, -0.0002096700000000 ] - [ -0.0000087400000000, 0.0005665700000000, 0.0000002800000000 ] - [ 0.0000091000000000, 0.0005931900000000, -0.0000077000000000 ] - [ -0.0000075700000000, 0.0006108000000000, 0.0000011200000000 ] - [ 0.0000131000000000, 0.0006297200000000, 0.0000073800000000 ] - [ -0.0001878700000000, 0.0008980000000000, -0.0006528100000000 ] - [ 0.0002453200000000, 0.0015191000000000, 0.0000875900000000 ] - [ -0.0000324300000000, 0.0009871000000000, 0.0004430200000000 ] - [ 0.0000826700000000, 0.0013100600000000, 0.0000445500000000 ] - [ -0.0038592600000000, 0.0036060700000000, -0.0021861800000000 ] - [ 0.0006523200000000, -0.0006581300000000, -0.0000078400000000 ] - [ -0.0001392200000000, -0.0010243800000000, 0.0000640800000000 ] - [ 0.0002766600000000, -0.0008830500000000, 0.0001186300000000 ] - [ 0.0009858300000000, -0.0011591900000000, 0.0006766700000000 ] - [ 0.0009329700000000, -0.0011483800000000, 0.0006470500000000 ] - [ 0.0009874400000000, -0.0011901900000000, 0.0006663100000000 ] - [ 0.0009581800000000, -0.0011757100000000, 0.0006530800000000 ] - [ 0.0010211600000000, 0.0012942100000000, 0.0006508300000000 ] - [ 0.0010033800000000, 0.0012776100000000, 0.0006517600000000 ] - [ 0.0010216700000000, 0.0012851300000000, 0.0006642100000000 ] - [ 0.0010058400000000, 0.0012765400000000, 0.0006590100000000 ] - [ -0.0001587900000000, 0.0005152500000000, -0.0017830600000000 ] - [ -0.0010728600000000, -0.0000605700000000, -0.0014293800000000 ] - [ -0.0007007400000000, 0.0000510800000000, -0.0016422200000000 ] - [ -0.0008286100000000, -0.0000042700000000, -0.0015583500000000 ] - [ -0.0007844200000000, 0.0000173300000000, -0.0015847100000000 ] - [ -0.0007994200000000, 0.0000178300000000, -0.0015770300000000 ] - [ -0.0007839600000000, 0.0000286700000000, -0.0015966900000000 ] - [ -0.0007943700000000, 0.0000238700000000, -0.0015881300000000 ] - [ 0.0232126200000000, -0.0125802800000000, 0.0085139200000000 ] - [ 0.0013822400000000, 0.0000815200000000, 0.0002814100000000 ] - [ 0.0018336500000000, -0.0001419300000000, 0.0003050400000000 ] - [ 0.0015356100000000, -0.0000256600000000, 0.0001262100000000 ] - [ 0.0017748700000000, 0.0000736900000000, 0.0003991100000000 ] - [ 0.0016142800000000, -0.0000559700000000, 0.0003017300000000 ] - [ 0.0017732800000000, 0.0001227800000000, 0.0002777800000000 ] - [ 0.0016141800000000, -0.0000085600000000, 0.0002567800000000 ] - [ -0.0016487000000000, 0.0000229000000000, 0.0002645900000000 ] - [ -0.0017747100000000, 0.0000974400000000, 0.0002825500000000 ] - [ -0.0016488100000000, -0.0000116500000000, 0.0003331800000000 ] - [ -0.0017741600000000, 0.0000552000000000, 0.0003565700000000 ] - [ -0.0016377700000000, 0.0000912000000000, 0.0003116600000000 ] - [ -0.0016543500000000, 0.0000733900000000, 0.0003145600000000 ] - [ -0.0016464800000000, 0.0000719700000000, 0.0003063200000000 ] - [ -0.0016563100000000, 0.0000628500000000, 0.0003094200000000 ] - [ 0.0010368400000000, 0.0001956600000000, -0.0016787800000000 ] - [ 0.0005059300000000, -0.0002216100000000, -0.0016480300000000 ] - [ 0.0012342500000000, -0.0001601900000000, -0.0013333100000000 ] - [ 0.0004242500000000, -0.0002502500000000, -0.0017078500000000 ] - [ 0.0007604800000000, 0.0001203700000000, -0.0015680800000000 ] - [ 0.0007036600000000, 0.0001210400000000, -0.0015736300000000 ] - [ 0.0007622100000000, 0.0000635300000000, -0.0016044900000000 ] - [ 0.0007317500000000, 0.0000754300000000, -0.0016053000000000 ] - [ -0.0006108000000000, 0.0008604200000000, 0.0006729000000000 ] - [ -0.0011276300000000, 0.0012241300000000, 0.0007222800000000 ] - [ -0.0005317200000000, 0.0013141000000000, -0.0001834800000000 ] - [ -0.0011801500000000, 0.0011821700000000, 0.0007436200000000 ] - [ -0.0005275400000000, -0.0003718900000000, 0.0009549500000000 ] - [ -0.0012612900000000, -0.0013680700000000, 0.0007118200000000 ] - [ -0.0009335500000000, -0.0012201200000000, 0.0005166600000000 ] - [ -0.0010524700000000, -0.0012927800000000, 0.0006352400000000 ] - [ 0.0004199300000000, -0.0003966400000000, -0.0012364800000000 ] - [ 0.0010659100000000, -0.0013962500000000, -0.0006111000000000 ] - [ 0.0010012800000000, -0.0012436200000000, -0.0005306600000000 ] - [ 0.0010139000000000, -0.0013267700000000, -0.0006923000000000 ] - [ 0.0001594600000000, 0.0017259300000000, 0.0002551400000000 ] - [ 0.0005791100000000, 0.0007265900000000, -0.0006315300000000 ] - [ 0.0009864600000000, 0.0011667900000000, -0.0007936300000000 ] - [ 0.0009623700000000, 0.0011147500000000, -0.0006987400000000 ] - [ -0.0017321700000000, -0.0008219500000000, 0.0019794800000000 ] - [ -0.0021785100000000, 0.0009858200000000, 0.0006596400000000 ] - [ -0.0007286000000000, -0.0001517500000000, 0.0015216000000000 ] - [ -0.0007318400000000, -0.0000608300000000, 0.0015566800000000 ] - [ -0.0007510500000000, 0.0001183800000000, 0.0015739700000000 ] - [ -0.0007084200000000, 0.0001184300000000, 0.0015708400000000 ] - [ -0.0007552300000000, 0.0000735000000000, 0.0016032200000000 ] - [ -0.0007386400000000, 0.0000637500000000, 0.0015965400000000 ] - [ 0.0016451400000000, 0.0000815800000000, -0.0003108600000000 ] - [ 0.0016463800000000, 0.0000795700000000, -0.0003084300000000 ] - [ 0.0016522000000000, 0.0000684900000000, -0.0003111200000000 ] - [ 0.0016523400000000, 0.0000679900000000, -0.0003118000000000 ] - [ 0.0017288200000000, -0.0000086900000000, -0.0003306600000000 ] - [ 0.0017277600000000, 0.0001530700000000, -0.0003179000000000 ] - [ 0.0016892100000000, -0.0000176400000000, -0.0003216400000000 ] - [ 0.0016885900000000, 0.0000473600000000, -0.0002662600000000 ] - [ -0.0038213400000000, -0.0007148900000000, -0.0016511100000000 ] - [ -0.0033849600000000, -0.0005827700000000, 0.0011904800000000 ] - [ -0.0017136200000000, -0.0000865800000000, -0.0002407500000000 ] - [ -0.0023159000000000, 0.0000162400000000, -0.0012165300000000 ] - [ -0.0017844700000000, 0.0001678700000000, -0.0002720900000000 ] - [ -0.0015869400000000, -0.0000770100000000, -0.0002514700000000 ] - [ -0.0017573300000000, 0.0000849500000000, -0.0003897000000000 ] - [ -0.0016541100000000, -0.0000328300000000, -0.0003166600000000 ] - [ 0.0008815900000000, -0.0001430500000000, 0.0015520400000000 ] - [ 0.0000720800000000, 0.0006029900000000, 0.0021118000000000 ] - [ 0.0008189600000000, -0.0000000200000000, 0.0015688600000000 ] - [ 0.0007514800000000, 0.0001131700000000, 0.0014746200000000 ] - [ 0.0007901100000000, 0.0000371800000000, 0.0015960300000000 ] - [ 0.0007867400000000, 0.0000148600000000, 0.0015929800000000 ] - [ 0.0007921600000000, 0.0000230000000000, 0.0015805200000000 ] - [ 0.0007929100000000, 0.0000141500000000, 0.0015773300000000 ] - [ -0.0009595500000000, -0.0011721900000000, -0.0006437000000000 ] - [ -0.0009555500000000, -0.0011454400000000, -0.0006503400000000 ] - [ -0.0009821600000000, -0.0011893900000000, -0.0006685900000000 ] - [ -0.0009707700000000, -0.0011661000000000, -0.0006798600000000 ] - [ -0.0010162000000000, 0.0012773500000000, -0.0006585000000000 ] - [ -0.0010145300000000, 0.0013034300000000, -0.0006530300000000 ] - [ -0.0010145700000000, 0.0012737500000000, -0.0006581200000000 ] - [ -0.0010106400000000, 0.0012817300000000, -0.0006561300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003758800000000, 0.0018030100000000, -0.0001880100000000 ] - [ 0.0006357500000000, 0.0023738700000000, 0.0022204300000000 ] - [ 0.0002309700000000, 0.0013706300000000, 0.0002371600000000 ] - [ -0.0002300500000000, 0.0020017500000000, -0.0002040000000000 ] - [ 0.0002993800000000, -0.0013208900000000, -0.0000410500000000 ] - [ -0.0005702100000000, -0.0015639400000000, 0.0003742400000000 ] - [ 0.0000986300000000, -0.0010537900000000, -0.0000282900000000 ] - [ -0.0001125100000000, -0.0010533700000000, -0.0000696000000000 ] - [ -0.0000101300000000, 0.0006830100000000, 0.0000017700000000 ] - [ 0.0000086900000000, 0.0007023000000000, 0.0000046800000000 ] - [ -0.0000064200000000, 0.0007059300000000, -0.0000026700000000 ] - [ 0.0000062300000000, 0.0007209000000000, -0.0000026700000000 ] - [ -0.0005010700000000, -0.0015364500000000, -0.0003734400000000 ] - [ 0.0002494200000000, -0.0013470400000000, 0.0000832200000000 ] - [ -0.0000873200000000, -0.0010835800000000, 0.0000503100000000 ] - [ 0.0000658600000000, -0.0010702800000000, 0.0000246000000000 ] - [ -0.0000263100000000, 0.0010037600000000, 0.0000549600000000 ] - [ 0.0000223300000000, 0.0009148800000000, 0.0001086300000000 ] - [ -0.0000006500000000, 0.0010514300000000, -0.0000572500000000 ] - [ 0.0000278200000000, 0.0009803200000000, -0.0000718200000000 ] - [ 0.0002145300000000, 0.0013051200000000, -0.0002206900000000 ] - [ -0.0051322800000000, 0.0074876700000000, 0.0024491600000000 ] - [ 0.0000309900000000, 0.0009975700000000, 0.0000313600000000 ] - [ 0.0000901400000000, 0.0010060900000000, 0.0001145400000000 ] - [ 0.0000886800000000, -0.0009655500000000, -0.0000799700000000 ] - [ -0.0000778200000000, -0.0009765100000000, -0.0000619500000000 ] - [ 0.0000493300000000, -0.0009067400000000, 0.0000333400000000 ] - [ -0.0000674800000000, -0.0009282400000000, 0.0000800200000000 ] - [ -0.0000055700000000, -0.0014818000000000, -0.0000000800000000 ] - [ 0.0000192500000000, -0.0015239000000000, -0.0000267000000000 ] - [ -0.0000012900000000, -0.0014297000000000, 0.0000059500000000 ] - [ 0.0000001700000000, -0.0014431200000000, 0.0000093100000000 ] - [ -0.0006065900000000, -0.0006048700000000, 0.0006251100000000 ] - [ 0.0004496900000000, -0.0010754200000000, 0.0004108800000000 ] - [ -0.0004376000000000, -0.0009200300000000, -0.0002413900000000 ] - [ 0.0003142200000000, -0.0005513600000000, -0.0003667200000000 ] - [ 0.0000278700000000, 0.0004180200000000, 0.0000306300000000 ] - [ -0.0000097600000000, 0.0004685700000000, 0.0000045400000000 ] - [ 0.0000019800000000, 0.0005023400000000, -0.0000137800000000 ] - [ -0.0000040900000000, 0.0005217700000000, -0.0000086700000000 ] - [ 0.0002249200000000, 0.0008913500000000, -0.0008766800000000 ] - [ -0.0000459600000000, 0.0012161100000000, -0.0001455800000000 ] - [ 0.0000808900000000, 0.0009771800000000, 0.0004777400000000 ] - [ -0.0000030800000000, 0.0013065900000000, 0.0000990300000000 ] - [ -0.0056846700000000, 0.0067879800000000, -0.0032995400000000 ] - [ 0.0001493000000000, -0.0005356200000000, 0.0002868100000000 ] - [ 0.0000186700000000, -0.0008255800000000, -0.0001296600000000 ] - [ 0.0000384800000000, -0.0009687500000000, -0.0000486400000000 ] - [ 0.0009103300000000, -0.0010042200000000, 0.0006613900000000 ] - [ 0.0009212400000000, -0.0010902200000000, 0.0006453700000000 ] - [ 0.0009645900000000, -0.0011342600000000, 0.0006785100000000 ] - [ 0.0009592900000000, -0.0011429200000000, 0.0006698900000000 ] - [ 0.0010402100000000, 0.0013571900000000, 0.0006346200000000 ] - [ 0.0010330400000000, 0.0013337100000000, 0.0006430200000000 ] - [ 0.0010450200000000, 0.0013551400000000, 0.0006707100000000 ] - [ 0.0010413500000000, 0.0013350900000000, 0.0006654500000000 ] - [ 0.0000753200000000, 0.0028770000000000, -0.0020227400000000 ] - [ -0.0009419500000000, -0.0000178700000000, -0.0014867500000000 ] - [ -0.0007588400000000, 0.0000579200000000, -0.0015128300000000 ] - [ -0.0008291700000000, -0.0000282600000000, -0.0015364200000000 ] - [ -0.0008247900000000, 0.0000960300000000, -0.0015732700000000 ] - [ -0.0008250200000000, 0.0000811000000000, -0.0015745600000000 ] - [ -0.0008114700000000, 0.0000951600000000, -0.0016032100000000 ] - [ -0.0008101200000000, 0.0000788800000000, -0.0015954900000000 ] - [ 0.0142998000000000, -0.0225437500000000, -0.0014597900000000 ] - [ 0.0016082500000000, -0.0001818800000000, 0.0002694000000000 ] - [ 0.0018324000000000, -0.0002510600000000, 0.0003630000000000 ] - [ 0.0017157100000000, -0.0001405800000000, 0.0002662100000000 ] - [ 0.0018125100000000, 0.0001521500000000, 0.0004533700000000 ] - [ 0.0016806900000000, 0.0000175000000000, 0.0003373500000000 ] - [ 0.0017645600000000, 0.0001522000000000, 0.0002215100000000 ] - [ 0.0016333900000000, 0.0000178300000000, 0.0002458000000000 ] - [ -0.0016779700000000, 0.0000876400000000, 0.0001599900000000 ] - [ -0.0017461700000000, 0.0000777400000000, 0.0002611800000000 ] - [ -0.0017119500000000, 0.0000868900000000, 0.0004086000000000 ] - [ -0.0017875100000000, 0.0000773700000000, 0.0003849800000000 ] - [ -0.0015983200000000, 0.0001863400000000, 0.0003122300000000 ] - [ -0.0016165700000000, 0.0001467300000000, 0.0003132300000000 ] - [ -0.0016189100000000, 0.0001353100000000, 0.0003127900000000 ] - [ -0.0016275200000000, 0.0001228800000000, 0.0003142500000000 ] - [ 0.0005990500000000, -0.0001770100000000, -0.0019007000000000 ] - [ 0.0005455100000000, -0.0002622200000000, -0.0016720000000000 ] - [ 0.0012168900000000, 0.0003576300000000, 0.0003326300000000 ] - [ 0.0005527300000000, -0.0002649600000000, -0.0016118800000000 ] - [ 0.0007096000000000, 0.0002514900000000, -0.0015739000000000 ] - [ 0.0006834800000000, 0.0001709100000000, -0.0015841800000000 ] - [ 0.0007327100000000, 0.0001178300000000, -0.0016022400000000 ] - [ 0.0007150000000000, 0.0001149000000000, -0.0016007500000000 ] - [ -0.0008850300000000, 0.0009614400000000, 0.0008457100000000 ] - [ -0.0009853100000000, 0.0011128200000000, 0.0007279100000000 ] - [ -0.0006695900000000, 0.0013955700000000, -0.0004771300000000 ] - [ -0.0010360600000000, 0.0010875200000000, 0.0006652100000000 ] - [ -0.0008691100000000, 0.0014007800000000, 0.0010440800000000 ] - [ -0.0010911500000000, -0.0012901700000000, 0.0006183300000000 ] - [ -0.0009685900000000, -0.0012254300000000, 0.0005339400000000 ] - [ -0.0010296500000000, -0.0012836900000000, 0.0006538400000000 ] - [ 0.0004400400000000, -0.0003942500000000, -0.0012506700000000 ] - [ 0.0011355900000000, -0.0013869100000000, -0.0007263200000000 ] - [ 0.0009245300000000, -0.0012424400000000, -0.0004642800000000 ] - [ 0.0010215400000000, -0.0012901000000000, -0.0006039900000000 ] - [ 0.0001326400000000, 0.0014401000000000, 0.0001732700000000 ] - [ 0.0010873700000000, 0.0011089600000000, -0.0005947500000000 ] - [ 0.0009073400000000, 0.0010671100000000, -0.0007464200000000 ] - [ 0.0009311400000000, 0.0010679900000000, -0.0006439800000000 ] - [ -0.0000425400000000, -0.0001283300000000, 0.0014794400000000 ] - [ -0.0020621600000000, 0.0004296000000000, 0.0003910100000000 ] - [ -0.0006232100000000, -0.0002236100000000, 0.0016234700000000 ] - [ -0.0007246500000000, -0.0001745500000000, 0.0016299900000000 ] - [ -0.0007359700000000, 0.0001663300000000, 0.0015592000000000 ] - [ -0.0006559400000000, 0.0002203300000000, 0.0015407300000000 ] - [ -0.0007314500000000, 0.0001173700000000, 0.0016192300000000 ] - [ -0.0007005900000000, 0.0001236500000000, 0.0016234100000000 ] - [ 0.0016099200000000, 0.0001584400000000, -0.0003161400000000 ] - [ 0.0016084400000000, 0.0001581600000000, -0.0003109300000000 ] - [ 0.0016224400000000, 0.0001323300000000, -0.0003127600000000 ] - [ 0.0016216700000000, 0.0001325200000000, -0.0003124000000000 ] - [ 0.0018430300000000, 0.0001070900000000, -0.0003992400000000 ] - [ 0.0016816000000000, 0.0001077200000000, -0.0003532300000000 ] - [ 0.0017373700000000, 0.0000508600000000, -0.0002898700000000 ] - [ 0.0016725900000000, 0.0000507300000000, -0.0002265100000000 ] - [ -0.0024019600000000, -0.0007949100000000, -0.0006355500000000 ] - [ -0.0022762200000000, -0.0010019100000000, 0.0000437900000000 ] - [ -0.0017767200000000, -0.0002022700000000, -0.0002723900000000 ] - [ -0.0016761300000000, -0.0000871300000000, -0.0001699200000000 ] - [ -0.0018579200000000, 0.0002295000000000, -0.0002767500000000 ] - [ -0.0016122100000000, 0.0000419400000000, -0.0002261500000000 ] - [ -0.0017742700000000, 0.0001071600000000, -0.0003938100000000 ] - [ -0.0016569400000000, -0.0000052100000000, -0.0003144400000000 ] - [ 0.0009384500000000, -0.0001377900000000, 0.0015782800000000 ] - [ -0.0001819100000000, 0.0008396600000000, 0.0023263700000000 ] - [ 0.0008647700000000, -0.0000399400000000, 0.0014880400000000 ] - [ 0.0007751000000000, 0.0000285200000000, 0.0014736300000000 ] - [ 0.0008123600000000, 0.0001043000000000, 0.0015980800000000 ] - [ 0.0008287900000000, 0.0000978800000000, 0.0015878700000000 ] - [ 0.0008122100000000, 0.0000767300000000, 0.0015846900000000 ] - [ 0.0008193600000000, 0.0000729300000000, 0.0015766800000000 ] - [ -0.0008736800000000, -0.0010495700000000, -0.0006034800000000 ] - [ -0.0009441300000000, -0.0010852100000000, -0.0006467100000000 ] - [ -0.0009557500000000, -0.0011333700000000, -0.0006802300000000 ] - [ -0.0009751600000000, -0.0011323100000000, -0.0006981400000000 ] - [ -0.0010357100000000, 0.0013460000000000, -0.0006609600000000 ] - [ -0.0010565600000000, 0.0013678200000000, -0.0006623800000000 ] - [ -0.0010304200000000, 0.0013281900000000, -0.0006457600000000 ] - [ -0.0010371700000000, 0.0013380700000000, -0.0006452300000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003748100000000, 0.0001436500000000, 0.0001872600000000 ] - [ -0.0006514600000000, -0.0004568900000000, -0.0022493000000000 ] - [ -0.0002305700000000, 0.0005687100000000, -0.0002374800000000 ] - [ 0.0002259900000000, -0.0000585900000000, 0.0001997900000000 ] - [ -0.0002982200000000, -0.0006208200000000, 0.0000398400000000 ] - [ 0.0005658100000000, -0.0003775500000000, -0.0003742800000000 ] - [ -0.0000984700000000, -0.0008867800000000, 0.0000281400000000 ] - [ 0.0001095200000000, -0.0008852400000000, 0.0000727700000000 ] - [ 0.0000074700000000, 0.0012573700000000, -0.0000029600000000 ] - [ -0.0000078600000000, 0.0012375800000000, -0.0000031100000000 ] - [ 0.0000081600000000, 0.0012333300000000, 0.0000011900000000 ] - [ -0.0000070300000000, 0.0012193400000000, -0.0000011800000000 ] - [ 0.0005009700000000, -0.0004059100000000, 0.0003772500000000 ] - [ -0.0002526000000000, -0.0005954600000000, -0.0000895700000000 ] - [ 0.0000868500000000, -0.0008593500000000, -0.0000498500000000 ] - [ -0.0000632000000000, -0.0008724100000000, -0.0000245800000000 ] - [ 0.0000279600000000, 0.0014484300000000, -0.0000544000000000 ] - [ -0.0000212300000000, 0.0015272100000000, -0.0001111400000000 ] - [ 0.0000006800000000, 0.0014008000000000, 0.0000590600000000 ] - [ -0.0000248800000000, 0.0014664100000000, 0.0000752200000000 ] - [ -0.0002134900000000, 0.0001199700000000, 0.0002158600000000 ] - [ 0.0053635100000000, -0.0062823900000000, -0.0025952700000000 ] - [ -0.0000315800000000, 0.0004273300000000, -0.0000260400000000 ] - [ -0.0000897900000000, 0.0004199000000000, -0.0001106500000000 ] - [ -0.0000907500000000, -0.0004525200000000, 0.0000785300000000 ] - [ 0.0000746400000000, -0.0004522100000000, 0.0000645200000000 ] - [ -0.0000468000000000, -0.0005173700000000, -0.0000356600000000 ] - [ 0.0000679100000000, -0.0004999200000000, -0.0000792700000000 ] - [ 0.0000081100000000, -0.0009700400000000, 0.0000018200000000 ] - [ -0.0000188200000000, -0.0009194100000000, 0.0000256200000000 ] - [ -0.0000019300000000, -0.0010234400000000, -0.0000044600000000 ] - [ -0.0000006300000000, -0.0010076400000000, -0.0000085400000000 ] - [ 0.0006067300000000, -0.0008320200000000, -0.0006294300000000 ] - [ -0.0004497400000000, -0.0003526000000000, -0.0004064300000000 ] - [ 0.0004373800000000, -0.0005039100000000, 0.0002409700000000 ] - [ -0.0003134200000000, -0.0008794300000000, 0.0003709000000000 ] - [ -0.0000302000000000, 0.0010052000000000, -0.0000325700000000 ] - [ 0.0000097400000000, 0.0009592100000000, -0.0000062700000000 ] - [ 0.0000000900000000, 0.0009251900000000, 0.0000146700000000 ] - [ 0.0000060700000000, 0.0009059600000000, 0.0000092300000000 ] - [ -0.0002244100000000, 0.0015652300000000, 0.0008738000000000 ] - [ 0.0000492100000000, 0.0012333400000000, 0.0001458000000000 ] - [ -0.0000805000000000, 0.0014777600000000, -0.0004755900000000 ] - [ 0.0000013600000000, 0.0011395400000000, -0.0001000400000000 ] - [ 0.0054485200000000, -0.0090182600000000, 0.0031465800000000 ] - [ -0.0001455100000000, -0.0019119000000000, -0.0002887000000000 ] - [ -0.0000188200000000, -0.0016281100000000, 0.0001311400000000 ] - [ -0.0000365700000000, -0.0014765200000000, 0.0000519300000000 ] - [ 0.0010716500000000, -0.0014488600000000, 0.0006537100000000 ] - [ 0.0010612400000000, -0.0013616100000000, 0.0006710400000000 ] - [ 0.0010173300000000, -0.0013176500000000, 0.0006368600000000 ] - [ 0.0010224100000000, -0.0013084500000000, 0.0006455300000000 ] - [ 0.0009416400000000, 0.0010936200000000, 0.0006823600000000 ] - [ 0.0009491400000000, 0.0011173600000000, 0.0006734100000000 ] - [ 0.0009371500000000, 0.0010960200000000, 0.0006461700000000 ] - [ 0.0009405500000000, 0.0011161900000000, 0.0006512500000000 ] - [ -0.0016057700000000, -0.0028719500000000, -0.0011494900000000 ] - [ -0.0005846600000000, 0.0000835600000000, -0.0016899300000000 ] - [ -0.0007689800000000, 0.0000074100000000, -0.0016652700000000 ] - [ -0.0006984000000000, 0.0000937300000000, -0.0016413500000000 ] - [ -0.0007035300000000, -0.0001610600000000, -0.0016037300000000 ] - [ -0.0007034400000000, -0.0001463600000000, -0.0016027300000000 ] - [ -0.0007168000000000, -0.0001602600000000, -0.0015745400000000 ] - [ -0.0007179800000000, -0.0001440400000000, -0.0015813100000000 ] - [ -0.0109141500000000, 0.0226287900000000, 0.0024090900000000 ] - [ 0.0017437300000000, 0.0002116300000000, 0.0003525500000000 ] - [ 0.0015219000000000, 0.0002801700000000, 0.0002589500000000 ] - [ 0.0016375700000000, 0.0001697500000000, 0.0003557000000000 ] - [ 0.0015411700000000, -0.0001820500000000, 0.0001692100000000 ] - [ 0.0016721500000000, -0.0000473800000000, 0.0002848200000000 ] - [ 0.0015887000000000, -0.0001815500000000, 0.0004000100000000 ] - [ 0.0017189000000000, -0.0000474000000000, 0.0003755800000000 ] - [ -0.0016757500000000, -0.0001154100000000, 0.0004628100000000 ] - [ -0.0016075600000000, -0.0001066900000000, 0.0003609500000000 ] - [ -0.0016407100000000, -0.0001157500000000, 0.0002129800000000 ] - [ -0.0015659900000000, -0.0001064900000000, 0.0002368500000000 ] - [ -0.0017545500000000, -0.0001575800000000, 0.0003095500000000 ] - [ -0.0017367600000000, -0.0001181200000000, 0.0003089100000000 ] - [ -0.0017348200000000, -0.0001064600000000, 0.0003093400000000 ] - [ -0.0017269700000000, -0.0000939800000000, 0.0003079400000000 ] - [ 0.0009300500000000, 0.0001147000000000, -0.0012764000000000 ] - [ 0.0009819500000000, 0.0001971000000000, -0.0015051000000000 ] - [ 0.0003118900000000, -0.0004224100000000, -0.0035207900000000 ] - [ 0.0009757500000000, 0.0002009100000000, -0.0015652500000000 ] - [ 0.0008183200000000, -0.0001861500000000, -0.0016035300000000 ] - [ 0.0008449100000000, -0.0001056100000000, -0.0015934200000000 ] - [ 0.0007959200000000, -0.0000532900000000, -0.0015753300000000 ] - [ 0.0008133900000000, -0.0000502900000000, -0.0015771200000000 ] - [ -0.0010942200000000, 0.0014869900000000, 0.0004684200000000 ] - [ -0.0009966400000000, 0.0013383000000000, 0.0005881600000000 ] - [ -0.0013124700000000, 0.0010570800000000, 0.0017884900000000 ] - [ -0.0009472400000000, 0.0013633800000000, 0.0006523900000000 ] - [ -0.0011157000000000, -0.0038041800000000, 0.0002759600000000 ] - [ -0.0008928100000000, -0.0011633100000000, 0.0006976700000000 ] - [ -0.0010135600000000, -0.0012260200000000, 0.0007817900000000 ] - [ -0.0009527400000000, -0.0011679900000000, 0.0006624800000000 ] - [ 0.0015400000000000, -0.0020525500000000, -0.0000683000000000 ] - [ 0.0008471700000000, -0.0010663300000000, -0.0005897200000000 ] - [ 0.0010582800000000, -0.0012094200000000, -0.0008522100000000 ] - [ 0.0009601600000000, -0.0011625100000000, -0.0007128400000000 ] - [ 0.0018432000000000, 0.0010142800000000, -0.0014852500000000 ] - [ 0.0008922200000000, 0.0013401600000000, -0.0007197000000000 ] - [ 0.0010747600000000, 0.0013837600000000, -0.0005703400000000 ] - [ 0.0010514700000000, 0.0013832400000000, -0.0006721800000000 ] - [ -0.0014893400000000, 0.0000628200000000, 0.0017008500000000 ] - [ 0.0005428800000000, -0.0004944400000000, 0.0027932900000000 ] - [ -0.0009061000000000, 0.0001591800000000, 0.0015537500000000 ] - [ -0.0008039200000000, 0.0001103300000000, 0.0015462600000000 ] - [ -0.0007922800000000, -0.0001012200000000, 0.0016182000000000 ] - [ -0.0008725000000000, -0.0001552900000000, 0.0016364100000000 ] - [ -0.0007961200000000, -0.0000526700000000, 0.0015580100000000 ] - [ -0.0008271700000000, -0.0000587500000000, 0.0015542200000000 ] - [ 0.0017428200000000, -0.0001294500000000, -0.0003053600000000 ] - [ 0.0017445100000000, -0.0001297000000000, -0.0003106900000000 ] - [ 0.0017301000000000, -0.0001035700000000, -0.0003090600000000 ] - [ 0.0017318900000000, -0.0001036600000000, -0.0003097000000000 ] - [ 0.0015102800000000, -0.0001360300000000, -0.0002224300000000 ] - [ 0.0016725700000000, -0.0001352600000000, -0.0002687000000000 ] - [ 0.0016157200000000, -0.0000796700000000, -0.0003325300000000 ] - [ 0.0016808700000000, -0.0000797400000000, -0.0003961500000000 ] - [ -0.0009465300000000, 0.0008221900000000, 0.0000169800000000 ] - [ -0.0010838400000000, 0.0010334600000000, -0.0006588900000000 ] - [ -0.0015758600000000, 0.0002311700000000, -0.0003495800000000 ] - [ -0.0016828000000000, 0.0001174100000000, -0.0004622400000000 ] - [ -0.0014948500000000, -0.0002588800000000, -0.0003448200000000 ] - [ -0.0017395900000000, -0.0000720600000000, -0.0003954200000000 ] - [ -0.0015790900000000, -0.0001364800000000, -0.0002288000000000 ] - [ -0.0016967000000000, -0.0000248700000000, -0.0003074500000000 ] - [ 0.0005889600000000, 0.0002038700000000, 0.0015992900000000 ] - [ 0.0017150500000000, -0.0007794100000000, 0.0008471100000000 ] - [ 0.0006624900000000, 0.0001055200000000, 0.0016887800000000 ] - [ 0.0007524000000000, 0.0000371900000000, 0.0017034600000000 ] - [ 0.0007160800000000, -0.0001691800000000, 0.0015793800000000 ] - [ 0.0006995100000000, -0.0001627000000000, 0.0015892400000000 ] - [ 0.0007159900000000, -0.0001418600000000, 0.0015924700000000 ] - [ 0.0007087200000000, -0.0001383600000000, 0.0016005200000000 ] - [ -0.0011094000000000, -0.0014026900000000, -0.0007122900000000 ] - [ -0.0010392300000000, -0.0013664000000000, -0.0006691000000000 ] - [ -0.0010267300000000, -0.0013179900000000, -0.0006363900000000 ] - [ -0.0010060100000000, -0.0013196900000000, -0.0006168500000000 ] - [ -0.0009466700000000, 0.0011052600000000, -0.0006555200000000 ] - [ -0.0009250600000000, 0.0010825400000000, -0.0006543500000000 ] - [ -0.0009516400000000, 0.0011224900000000, -0.0006708000000000 ] - [ -0.0009453100000000, 0.0011128900000000, -0.0006713600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000287100000000, 0.0009734400000000, 0.0001847400000000 ] - [ 0.0072542700000000, 0.0026850800000000, 0.0107814200000000 ] - [ -0.0002346900000000, 0.0010722500000000, -0.0004998100000000 ] - [ 0.0004310400000000, 0.0011193600000000, -0.0009990500000000 ] - [ -0.0001358600000000, -0.0009049300000000, 0.0002002900000000 ] - [ 0.0000417400000000, -0.0009743200000000, 0.0001988200000000 ] - [ -0.0000160900000000, -0.0010856000000000, -0.0001246500000000 ] - [ 0.0000542200000000, -0.0011249800000000, -0.0001696200000000 ] - [ 0.0000108300000000, 0.0010182000000000, 0.0000169300000000 ] - [ -0.0000058800000000, 0.0010197400000000, 0.0000114800000000 ] - [ -0.0000054900000000, 0.0010165900000000, -0.0000167600000000 ] - [ 0.0000004000000000, 0.0010140400000000, -0.0000111400000000 ] - [ 0.0000125600000000, -0.0011160200000000, 0.0001640100000000 ] - [ 0.0000697300000000, -0.0011014200000000, 0.0002049700000000 ] - [ 0.0000073600000000, -0.0009691600000000, -0.0001491800000000 ] - [ -0.0000458600000000, -0.0009355000000000, -0.0001404500000000 ] - [ -0.0000174900000000, 0.0012601500000000, 0.0000295800000000 ] - [ 0.0000012300000000, 0.0013020500000000, 0.0000319800000000 ] - [ -0.0000114900000000, 0.0011505000000000, -0.0000226400000000 ] - [ 0.0000452700000000, 0.0011322000000000, -0.0000555900000000 ] - [ -0.0002300600000000, 0.0003972100000000, 0.0005017700000000 ] - [ -0.0024293200000000, 0.0041044100000000, 0.0035697900000000 ] - [ -0.0000424300000000, 0.0007929100000000, -0.0002397400000000 ] - [ 0.0000354300000000, 0.0011012700000000, -0.0008017900000000 ] - [ -0.0000176000000000, -0.0007483300000000, 0.0000291500000000 ] - [ 0.0000038700000000, -0.0007725500000000, 0.0000217500000000 ] - [ -0.0000185700000000, -0.0006626500000000, -0.0000205300000000 ] - [ 0.0000480200000000, -0.0006351900000000, -0.0000486200000000 ] - [ -0.0000126500000000, -0.0012188400000000, 0.0000254200000000 ] - [ -0.0000029100000000, -0.0012326100000000, 0.0000413400000000 ] - [ -0.0000021500000000, -0.0012087800000000, -0.0000272800000000 ] - [ 0.0000101900000000, -0.0012130100000000, -0.0000384100000000 ] - [ 0.0003121100000000, -0.0002404500000000, 0.0003381600000000 ] - [ -0.0002366500000000, -0.0004127700000000, -0.0000671700000000 ] - [ -0.0004466200000000, -0.0012444900000000, -0.0003889900000000 ] - [ 0.0000334200000000, -0.0007645700000000, -0.0002553000000000 ] - [ 0.0000166200000000, 0.0007323300000000, 0.0000438700000000 ] - [ 0.0000017100000000, 0.0007191500000000, 0.0000249800000000 ] - [ -0.0000024000000000, 0.0006971200000000, -0.0000299100000000 ] - [ -0.0000156300000000, 0.0007060100000000, -0.0000343600000000 ] - [ 0.0002289900000000, 0.0009064600000000, 0.0003019200000000 ] - [ -0.0002096800000000, 0.0009613200000000, -0.0000577400000000 ] - [ -0.0002152900000000, 0.0015914400000000, -0.0004291300000000 ] - [ -0.0000209700000000, 0.0012892800000000, -0.0001249200000000 ] - [ 0.0026750200000000, -0.0044719600000000, 0.0029153300000000 ] - [ 0.0000320000000000, -0.0008142200000000, 0.0006753600000000 ] - [ 0.0002339400000000, -0.0012361200000000, -0.0005419100000000 ] - [ -0.0003293800000000, -0.0016513900000000, -0.0003780900000000 ] - [ 0.0010068300000000, -0.0012550100000000, 0.0006388700000000 ] - [ 0.0010147300000000, -0.0012493800000000, 0.0006485300000000 ] - [ 0.0010378900000000, -0.0012515200000000, 0.0007130400000000 ] - [ 0.0010471100000000, -0.0012627600000000, 0.0007086700000000 ] - [ 0.0010232200000000, 0.0012335800000000, 0.0006846600000000 ] - [ 0.0010317000000000, 0.0012489900000000, 0.0006814000000000 ] - [ 0.0010356000000000, 0.0012832000000000, 0.0006731100000000 ] - [ 0.0010347000000000, 0.0012683600000000, 0.0006761200000000 ] - [ -0.0005500400000000, -0.0000434400000000, -0.0020401400000000 ] - [ -0.0006087100000000, 0.0000627700000000, -0.0017187200000000 ] - [ -0.0008436900000000, 0.0000548400000000, -0.0012325000000000 ] - [ -0.0007360100000000, 0.0000818000000000, -0.0014665500000000 ] - [ -0.0007226000000000, -0.0000639300000000, -0.0015502900000000 ] - [ -0.0007115700000000, -0.0000772500000000, -0.0015547500000000 ] - [ -0.0007007300000000, -0.0001057800000000, -0.0015593500000000 ] - [ -0.0007019600000000, -0.0000961800000000, -0.0015594200000000 ] - [ -0.0066947600000000, -0.0019456700000000, -0.0217621300000000 ] - [ 0.0016646600000000, -0.0000365300000000, 0.0000845000000000 ] - [ 0.0016380700000000, 0.0000553900000000, 0.0006026800000000 ] - [ 0.0018213400000000, -0.0000423900000000, 0.0004773200000000 ] - [ 0.0016644500000000, 0.0000846600000000, 0.0002409500000000 ] - [ 0.0016916200000000, 0.0000627400000000, 0.0002714600000000 ] - [ 0.0015521200000000, -0.0001406100000000, 0.0002439800000000 ] - [ 0.0016455000000000, -0.0000292700000000, 0.0002706100000000 ] - [ -0.0016203300000000, -0.0000975800000000, 0.0002458400000000 ] - [ -0.0015920600000000, -0.0000742800000000, 0.0002649300000000 ] - [ -0.0016863900000000, 0.0001510000000000, 0.0002456500000000 ] - [ -0.0016665700000000, 0.0000514800000000, 0.0002635400000000 ] - [ -0.0016412700000000, 0.0000016200000000, 0.0002448900000000 ] - [ -0.0016334100000000, 0.0000006800000000, 0.0002423100000000 ] - [ -0.0016393900000000, 0.0000036300000000, 0.0002670100000000 ] - [ -0.0016387700000000, 0.0000019700000000, 0.0002629400000000 ] - [ 0.0005347100000000, -0.0007699200000000, -0.0009966300000000 ] - [ 0.0007869100000000, -0.0000798500000000, -0.0015154200000000 ] - [ 0.0010999100000000, 0.0013917200000000, 0.0008218200000000 ] - [ 0.0007445900000000, 0.0000118800000000, -0.0015096500000000 ] - [ 0.0006943300000000, 0.0000889500000000, -0.0015993600000000 ] - [ 0.0007170600000000, 0.0000673100000000, -0.0015924600000000 ] - [ 0.0007063500000000, 0.0000960400000000, -0.0015189500000000 ] - [ 0.0007165900000000, 0.0000903300000000, -0.0015279700000000 ] - [ -0.0015771700000000, 0.0017829400000000, 0.0010211900000000 ] - [ -0.0009488600000000, 0.0012720700000000, 0.0006634600000000 ] - [ -0.0008927700000000, 0.0005149000000000, 0.0016401100000000 ] - [ -0.0009823800000000, 0.0011673800000000, 0.0006870400000000 ] - [ -0.0011649500000000, -0.0011826700000000, 0.0002025900000000 ] - [ -0.0008999700000000, -0.0012116500000000, 0.0005205500000000 ] - [ -0.0010832600000000, -0.0012440100000000, 0.0009699500000000 ] - [ -0.0010089200000000, -0.0012101700000000, 0.0007787300000000 ] - [ 0.0013280500000000, -0.0016968000000000, -0.0004672900000000 ] - [ 0.0010174000000000, -0.0013101200000000, -0.0007510500000000 ] - [ 0.0008971500000000, -0.0011677600000000, -0.0006172600000000 ] - [ 0.0010316100000000, -0.0011444500000000, -0.0006156100000000 ] - [ 0.0010071700000000, 0.0013556500000000, -0.0011094200000000 ] - [ 0.0015825300000000, 0.0017372200000000, -0.0010887600000000 ] - [ 0.0010028400000000, 0.0012724900000000, -0.0004704600000000 ] - [ 0.0009173000000000, 0.0012226500000000, -0.0004463100000000 ] - [ -0.0012419800000000, -0.0002604200000000, 0.0013783300000000 ] - [ -0.0001251900000000, -0.0009105700000000, 0.0011288800000000 ] - [ -0.0005910000000000, -0.0000995400000000, 0.0017596300000000 ] - [ -0.0006788700000000, -0.0000722500000000, 0.0019136000000000 ] - [ -0.0007120900000000, 0.0000592600000000, 0.0015464100000000 ] - [ -0.0007192700000000, 0.0000763100000000, 0.0015379300000000 ] - [ -0.0007007200000000, 0.0000958500000000, 0.0015712900000000 ] - [ -0.0006937100000000, 0.0001079500000000, 0.0015792000000000 ] - [ 0.0016394000000000, -0.0000005000000000, -0.0002587100000000 ] - [ 0.0016402700000000, 0.0000036000000000, -0.0002604200000000 ] - [ 0.0016379200000000, 0.0000034700000000, -0.0002499800000000 ] - [ 0.0016386300000000, 0.0000008500000000, -0.0002460900000000 ] - [ 0.0016284400000000, -0.0000424200000000, -0.0003166700000000 ] - [ 0.0016215800000000, -0.0000879100000000, -0.0003185600000000 ] - [ 0.0016841000000000, 0.0000867100000000, -0.0001780400000000 ] - [ 0.0016289600000000, 0.0000209700000000, -0.0001790500000000 ] - [ -0.0003121600000000, 0.0003298200000000, 0.0004305100000000 ] - [ -0.0031432200000000, -0.0003495800000000, 0.0002393400000000 ] - [ -0.0017075000000000, -0.0000357500000000, -0.0001959100000000 ] - [ -0.0007333800000000, -0.0001463700000000, 0.0014968800000000 ] - [ -0.0016746300000000, 0.0000306500000000, -0.0003105300000000 ] - [ -0.0016970300000000, 0.0000800000000000, -0.0003020900000000 ] - [ -0.0015609200000000, -0.0000821700000000, -0.0001696900000000 ] - [ -0.0016307200000000, -0.0000049700000000, -0.0002102500000000 ] - [ 0.0007630800000000, 0.0001879800000000, 0.0014518900000000 ] - [ 0.0003450000000000, 0.0004267900000000, 0.0017893200000000 ] - [ 0.0006472700000000, 0.0000289900000000, 0.0016377400000000 ] - [ 0.0008064400000000, -0.0000747600000000, 0.0016049800000000 ] - [ 0.0007157500000000, -0.0000790700000000, 0.0015432100000000 ] - [ 0.0007249300000000, -0.0000683400000000, 0.0015385600000000 ] - [ 0.0006975300000000, -0.0000977700000000, 0.0015728300000000 ] - [ 0.0006983900000000, -0.0000924100000000, 0.0015731700000000 ] - [ -0.0010216800000000, -0.0012384100000000, -0.0006932700000000 ] - [ -0.0010300500000000, -0.0012310800000000, -0.0006981500000000 ] - [ -0.0010264900000000, -0.0012663600000000, -0.0006641000000000 ] - [ -0.0010313700000000, -0.0012796500000000, -0.0006584200000000 ] - [ -0.0010284100000000, 0.0012492400000000, -0.0006911000000000 ] - [ -0.0010308700000000, 0.0012414700000000, -0.0006983300000000 ] - [ -0.0010245900000000, 0.0012679500000000, -0.0006634300000000 ] - [ -0.0010328500000000, 0.0012705200000000, -0.0006591700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000306700000000, 0.0010214700000000, -0.0001795800000000 ] - [ -0.0069646200000000, -0.0006365300000000, -0.0104303400000000 ] - [ 0.0002342800000000, 0.0009236100000000, 0.0004976700000000 ] - [ -0.0004301900000000, 0.0008789200000000, 0.0009953700000000 ] - [ 0.0001343100000000, -0.0010927800000000, -0.0001997400000000 ] - [ -0.0000416300000000, -0.0010202700000000, -0.0001965800000000 ] - [ 0.0000132900000000, -0.0009106500000000, 0.0001252200000000 ] - [ -0.0000506000000000, -0.0008759000000000, 0.0001678400000000 ] - [ -0.0000096300000000, 0.0009797300000000, -0.0000139300000000 ] - [ 0.0000046800000000, 0.0009819300000000, -0.0000085500000000 ] - [ 0.0000050900000000, 0.0009852700000000, 0.0000136300000000 ] - [ 0.0000010300000000, 0.0009865600000000, 0.0000132000000000 ] - [ -0.0000147200000000, -0.0008848600000000, -0.0001705400000000 ] - [ -0.0000662100000000, -0.0009018100000000, -0.0002039700000000 ] - [ -0.0000025100000000, -0.0010304000000000, 0.0001501200000000 ] - [ 0.0000426500000000, -0.0010639700000000, 0.0001429600000000 ] - [ 0.0000136700000000, 0.0011767900000000, -0.0000278500000000 ] - [ 0.0000017200000000, 0.0011469400000000, -0.0000263100000000 ] - [ 0.0000095100000000, 0.0012885400000000, 0.0000216100000000 ] - [ -0.0000472900000000, 0.0013127500000000, 0.0000555000000000 ] - [ 0.0002288200000000, 0.0010376900000000, -0.0005045500000000 ] - [ 0.0024743100000000, -0.0027095800000000, -0.0035526500000000 ] - [ 0.0000368300000000, 0.0006535600000000, 0.0002362700000000 ] - [ -0.0000324000000000, 0.0003442000000000, 0.0007993900000000 ] - [ 0.0000147700000000, -0.0006854000000000, -0.0000238100000000 ] - [ -0.0000021400000000, -0.0006519900000000, -0.0000209000000000 ] - [ 0.0000228200000000, -0.0007709900000000, 0.0000183500000000 ] - [ -0.0000498200000000, -0.0007779900000000, 0.0000481300000000 ] - [ 0.0000082700000000, -0.0012172900000000, -0.0000317500000000 ] - [ 0.0000017500000000, -0.0012175400000000, -0.0000428200000000 ] - [ 0.0000017900000000, -0.0012291500000000, 0.0000288300000000 ] - [ -0.0000111700000000, -0.0012266500000000, 0.0000388300000000 ] - [ -0.0003054000000000, -0.0012082800000000, -0.0003302200000000 ] - [ 0.0002391100000000, -0.0010360600000000, 0.0000679200000000 ] - [ 0.0004489800000000, -0.0002080800000000, 0.0003919500000000 ] - [ -0.0000330300000000, -0.0006837900000000, 0.0002501100000000 ] - [ -0.0000125700000000, 0.0007192700000000, -0.0000398100000000 ] - [ 0.0000003600000000, 0.0007238800000000, -0.0000285700000000 ] - [ -0.0000022500000000, 0.0007315400000000, 0.0000331500000000 ] - [ 0.0000091200000000, 0.0007373100000000, 0.0000325700000000 ] - [ -0.0002311700000000, 0.0015251200000000, -0.0003026700000000 ] - [ 0.0002001100000000, 0.0015062800000000, 0.0000589000000000 ] - [ 0.0002180800000000, 0.0008429300000000, 0.0004305400000000 ] - [ 0.0000249000000000, 0.0011774800000000, 0.0001272800000000 ] - [ -0.0027154600000000, 0.0020799700000000, -0.0029053200000000 ] - [ -0.0000352500000000, -0.0016464200000000, -0.0006780300000000 ] - [ -0.0002361600000000, -0.0012047200000000, 0.0005435400000000 ] - [ 0.0003352900000000, -0.0008132100000000, 0.0003723500000000 ] - [ 0.0010099600000000, -0.0012262000000000, 0.0006966900000000 ] - [ 0.0010076100000000, -0.0012308100000000, 0.0006893500000000 ] - [ 0.0009837100000000, -0.0012301600000000, 0.0006217700000000 ] - [ 0.0009702900000000, -0.0012170200000000, 0.0006246200000000 ] - [ 0.0009969500000000, 0.0012441800000000, 0.0006501700000000 ] - [ 0.0009906800000000, 0.0012344400000000, 0.0006541400000000 ] - [ 0.0009890200000000, 0.0011997600000000, 0.0006650900000000 ] - [ 0.0009876200000000, 0.0012113100000000, 0.0006613400000000 ] - [ -0.0009193100000000, 0.0001699400000000, -0.0011071800000000 ] - [ -0.0008660000000000, 0.0000527700000000, -0.0014244100000000 ] - [ -0.0006308100000000, 0.0000616300000000, -0.0019132200000000 ] - [ -0.0007357400000000, 0.0000355600000000, -0.0016804600000000 ] - [ -0.0007499600000000, -0.0000519900000000, -0.0015969600000000 ] - [ -0.0007586700000000, -0.0000430400000000, -0.0015903500000000 ] - [ -0.0007671800000000, -0.0000165700000000, -0.0015856000000000 ] - [ -0.0007711700000000, -0.0000228700000000, -0.0015843000000000 ] - [ 0.0097248300000000, 0.0019357600000000, 0.0219712600000000 ] - [ 0.0016485600000000, 0.0000581500000000, 0.0004835200000000 ] - [ 0.0016718800000000, -0.0000359700000000, -0.0000345600000000 ] - [ 0.0014945600000000, 0.0000602500000000, 0.0000919400000000 ] - [ 0.0016440600000000, -0.0001059500000000, 0.0003254000000000 ] - [ 0.0016237300000000, -0.0000812700000000, 0.0002972700000000 ] - [ 0.0017668000000000, 0.0001259800000000, 0.0003262900000000 ] - [ 0.0016679000000000, 0.0000096100000000, 0.0002975400000000 ] - [ -0.0017007000000000, 0.0000816800000000, 0.0003210900000000 ] - [ -0.0017232200000000, 0.0000577400000000, 0.0003022500000000 ] - [ -0.0016315200000000, -0.0001679700000000, 0.0003220100000000 ] - [ -0.0016487400000000, -0.0000660400000000, 0.0003029100000000 ] - [ -0.0016788600000000, 0.0000151700000000, 0.0003244100000000 ] - [ -0.0016817400000000, 0.0000137000000000, 0.0003225600000000 ] - [ -0.0016727300000000, 0.0000148600000000, 0.0002980100000000 ] - [ -0.0016756300000000, 0.0000134200000000, 0.0003025000000000 ] - [ 0.0009390300000000, 0.0006523800000000, -0.0021481300000000 ] - [ 0.0006841400000000, -0.0000383900000000, -0.0016341100000000 ] - [ 0.0003670600000000, -0.0015402700000000, -0.0040111700000000 ] - [ 0.0007239900000000, -0.0001289800000000, -0.0016393300000000 ] - [ 0.0007776200000000, 0.0000255300000000, -0.0015517800000000 ] - [ 0.0007521300000000, 0.0000504200000000, -0.0015566200000000 ] - [ 0.0007661900000000, 0.0000201100000000, -0.0016251700000000 ] - [ 0.0007538000000000, 0.0000255000000000, -0.0016200700000000 ] - [ -0.0004419200000000, 0.0006972200000000, 0.0003115600000000 ] - [ -0.0010660500000000, 0.0012051600000000, 0.0006713900000000 ] - [ -0.0011298200000000, 0.0019735400000000, -0.0003134700000000 ] - [ -0.0010356900000000, 0.0013127700000000, 0.0006496800000000 ] - [ -0.0008531500000000, -0.0013012900000000, 0.0011309300000000 ] - [ -0.0011175000000000, -0.0012693300000000, 0.0008125900000000 ] - [ -0.0009344300000000, -0.0012384100000000, 0.0003633900000000 ] - [ -0.0010097500000000, -0.0012688800000000, 0.0005569000000000 ] - [ 0.0006891000000000, -0.0007849800000000, -0.0008632000000000 ] - [ 0.0010010800000000, -0.0011707600000000, -0.0005840900000000 ] - [ 0.0011198300000000, -0.0013121100000000, -0.0007188000000000 ] - [ 0.0009892900000000, -0.0013347200000000, -0.0007201900000000 ] - [ 0.0010126600000000, 0.0011243000000000, -0.0002248800000000 ] - [ 0.0004326100000000, 0.0007390000000000, -0.0002482000000000 ] - [ 0.0010152800000000, 0.0012054300000000, -0.0008668600000000 ] - [ 0.0010998600000000, 0.0012569200000000, -0.0008862500000000 ] - [ -0.0002263600000000, 0.0001428000000000, 0.0017707500000000 ] - [ -0.0013468800000000, 0.0007947800000000, 0.0020184400000000 ] - [ -0.0008762600000000, -0.0000186200000000, 0.0013885800000000 ] - [ -0.0007931700000000, -0.0000441200000000, 0.0012369100000000 ] - [ -0.0007582300000000, 0.0000561000000000, 0.0016017500000000 ] - [ -0.0007507900000000, 0.0000398400000000, 0.0016093300000000 ] - [ -0.0007728200000000, 0.0000178200000000, 0.0015767000000000 ] - [ -0.0007762300000000, 0.0000092500000000, 0.0015710200000000 ] - [ 0.0016757600000000, 0.0000162400000000, -0.0003050900000000 ] - [ 0.0016782400000000, 0.0000110200000000, -0.0003046900000000 ] - [ 0.0016785800000000, 0.0000152100000000, -0.0003185500000000 ] - [ 0.0016768100000000, 0.0000150300000000, -0.0003185400000000 ] - [ 0.0016850300000000, 0.0000262200000000, -0.0002475100000000 ] - [ 0.0016971900000000, 0.0000720400000000, -0.0002476400000000 ] - [ 0.0016326100000000, -0.0001016700000000, -0.0003892700000000 ] - [ 0.0016888700000000, -0.0000379200000000, -0.0003891900000000 ] - [ -0.0030118600000000, -0.0003089300000000, -0.0010024500000000 ] - [ -0.0001615700000000, 0.0003662900000000, -0.0008070100000000 ] - [ -0.0016082300000000, 0.0000553900000000, -0.0003720100000000 ] - [ -0.0025790600000000, 0.0001619400000000, -0.0020543400000000 ] - [ -0.0016391700000000, -0.0000508400000000, -0.0002579200000000 ] - [ -0.0016186800000000, -0.0001008700000000, -0.0002669500000000 ] - [ -0.0017566700000000, 0.0000661100000000, -0.0003991200000000 ] - [ -0.0016830700000000, -0.0000129400000000, -0.0003549800000000 ] - [ 0.0007123800000000, -0.0000707300000000, 0.0016933500000000 ] - [ 0.0011202500000000, -0.0003038300000000, 0.0013597800000000 ] - [ 0.0008241100000000, 0.0000875800000000, 0.0015074900000000 ] - [ 0.0006665100000000, 0.0001897600000000, 0.0015396400000000 ] - [ 0.0007553200000000, -0.0000385100000000, 0.0016028900000000 ] - [ 0.0007486100000000, -0.0000486700000000, 0.0016048200000000 ] - [ 0.0007714000000000, -0.0000235900000000, 0.0015747700000000 ] - [ 0.0007719600000000, -0.0000280700000000, 0.0015736100000000 ] - [ -0.0009945300000000, -0.0012429100000000, -0.0006400500000000 ] - [ -0.0009887300000000, -0.0012512400000000, -0.0006374000000000 ] - [ -0.0009930700000000, -0.0012133600000000, -0.0006731000000000 ] - [ -0.0009886600000000, -0.0012000400000000, -0.0006752300000000 ] - [ -0.0009889400000000, 0.0012311500000000, -0.0006424400000000 ] - [ -0.0009902300000000, 0.0012401700000000, -0.0006380800000000 ] - [ -0.0009947700000000, 0.0012135400000000, -0.0006735800000000 ] - [ -0.0009878600000000, 0.0012109200000000, -0.0006766600000000 ]