# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/530ec52f-3a3c-44d6-867e-1f23f85034dd/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 SiO2 / I4/mmm (139) / materials id 639734](https://mdr.nims.go.jp/datasets/71497814-c946-4627-8ded-a8f2dd4b7ba0) ## 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: "I4/mmm" number: 139 Hall_symbol: "-I 4 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -9.300566210000000, 9.300566210000000, 2.641487590000000 ] # a - [ 9.300566210000000, -9.300566210000000, 2.641487590000000 ] # b - [ 9.300566210000000, 9.300566210000000, -2.641487590000000 ] # c points: - symbol: Si # 1 coordinates: [ 0.774059340000000, 0.657811720000000, 0.431871060000000 ] mass: 28.085500 - symbol: Si # 2 coordinates: [ 0.342188280000000, 0.774059340000000, 0.116247620000000 ] mass: 28.085500 - symbol: Si # 3 coordinates: [ 0.657811720000000, 0.225940660000000, 0.883752380000000 ] mass: 28.085500 - symbol: Si # 4 coordinates: [ 0.774059340000000, 0.342188280000000, 0.116247620000000 ] mass: 28.085500 - symbol: Si # 5 coordinates: [ 0.225940660000000, 0.657811720000000, 0.883752380000000 ] mass: 28.085500 - symbol: Si # 6 coordinates: [ 0.225940660000000, 0.342188280000000, 0.568128940000000 ] mass: 28.085500 - symbol: Si # 7 coordinates: [ 0.657811720000000, 0.774059340000000, 0.431871060000000 ] mass: 28.085500 - symbol: Si # 8 coordinates: [ 0.342188280000000, 0.225940660000000, 0.568128940000000 ] mass: 28.085500 - symbol: Si # 9 coordinates: [ 0.120391530000000, 0.000000000000000, 0.120391530000000 ] mass: 28.085500 - symbol: Si # 10 coordinates: [ 0.000000000000000, 0.120391530000000, 0.120391530000000 ] mass: 28.085500 - symbol: Si # 11 coordinates: [ 0.000000000000000, 0.879608470000000, 0.879608470000000 ] mass: 28.085500 - symbol: Si # 12 coordinates: [ 0.879608470000000, 0.000000000000000, 0.879608470000000 ] mass: 28.085500 - symbol: Si # 13 coordinates: [ 0.718859560000000, 0.500000000000000, 0.218859560000000 ] mass: 28.085500 - symbol: Si # 14 coordinates: [ 0.500000000000000, 0.718859560000000, 0.218859560000000 ] mass: 28.085500 - symbol: Si # 15 coordinates: [ 0.500000000000000, 0.281140440000000, 0.781140440000000 ] mass: 28.085500 - symbol: Si # 16 coordinates: [ 0.281140440000000, 0.500000000000000, 0.781140440000000 ] mass: 28.085500 - symbol: O # 17 coordinates: [ 0.693813210000000, 0.693813210000000, 0.387626420000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.306186790000000, 0.693813210000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.693813210000000, 0.306186790000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.306186790000000, 0.306186790000000, 0.612373580000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.567438380000000, 0.432561620000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.067438380000000, 0.567438380000000, 0.134876760000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.432561620000000, 0.932561620000000, 0.865123240000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.932561620000000, 0.067438380000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.432561620000000, 0.567438380000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.932561620000000, 0.432561620000000, 0.865123240000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.567438380000000, 0.067438380000000, 0.134876760000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.067438380000000, 0.932561620000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.768903760000000, 0.571111950000000, 0.340015710000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.428888050000000, 0.768903760000000, 0.197791810000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.571111950000000, 0.231096240000000, 0.802208190000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.768903760000000, 0.428888050000000, 0.197791810000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.231096240000000, 0.571111950000000, 0.802208190000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.231096240000000, 0.428888050000000, 0.659984290000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.571111950000000, 0.768903760000000, 0.340015710000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.428888050000000, 0.231096240000000, 0.659984290000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.919675270000000, 0.750158970000000, 0.169516300000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.750158970000000, 0.919675270000000, 0.169516300000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.750158970000000, 0.580642670000000, 0.830483700000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.419357330000000, 0.249841030000000, 0.169516300000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.080324730000000, 0.249841030000000, 0.830483700000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.580642670000000, 0.750158970000000, 0.830483700000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.249841030000000, 0.419357330000000, 0.169516300000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.249841030000000, 0.080324730000000, 0.830483700000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.071475460000000, 0.071475460000000, 0.142950920000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.928524540000000, 0.071475460000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.071475460000000, 0.928524540000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.928524540000000, 0.928524540000000, 0.857049080000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.053760167790903, 0.189287279596873 ] # a* - [ 0.053760167790903, 0.000000000000000, 0.189287279596873 ] # b* - [ 0.053760167790903, 0.053760167790903, 0.000000000000000 ] # c*unit_cell: lattice: - [ 18.601132419999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 18.601132419999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.282975180000000 ] # c points: - symbol: Si # 1 coordinates: [ 0.657811720000000, 0.774059340000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 2 coordinates: [ 0.274059340000000, 0.842188280000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 3 coordinates: [ 0.725940660000000, 0.157811720000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 4 coordinates: [ 0.342188280000000, 0.774059340000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 5 coordinates: [ 0.657811720000000, 0.225940660000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.342188280000000, 0.225940660000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 7 coordinates: [ 0.274059340000000, 0.157811720000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 8 coordinates: [ 0.725940660000000, 0.842188280000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 9 coordinates: [ 0.500000000000000, 0.620391530000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 10 coordinates: [ 0.120391530000000, 0.000000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 10 - symbol: Si # 11 coordinates: [ 0.879608470000000, 0.000000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 11 - symbol: Si # 12 coordinates: [ 0.500000000000000, 0.379608470000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 12 - symbol: Si # 13 coordinates: [ 0.500000000000000, 0.718859560000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 14 coordinates: [ 0.218859560000000, 0.000000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 15 coordinates: [ 0.781140440000000, 0.000000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 16 coordinates: [ 0.500000000000000, 0.281140440000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 16 - symbol: Si # 17 coordinates: [ 0.157811720000000, 0.274059340000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 18 coordinates: [ 0.774059340000000, 0.342188280000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 19 coordinates: [ 0.225940660000000, 0.657811720000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 20 coordinates: [ 0.842188280000000, 0.274059340000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 21 coordinates: [ 0.157811720000000, 0.725940660000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 22 coordinates: [ 0.842188280000000, 0.725940660000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 23 coordinates: [ 0.774059340000000, 0.657811720000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 24 coordinates: [ 0.225940660000000, 0.342188280000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 25 coordinates: [ 0.000000000000000, 0.120391530000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 26 coordinates: [ 0.620391530000000, 0.500000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 10 - symbol: Si # 27 coordinates: [ 0.379608470000000, 0.500000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 11 - symbol: Si # 28 coordinates: [ 0.000000000000000, 0.879608470000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 12 - symbol: Si # 29 coordinates: [ 0.000000000000000, 0.218859560000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 30 coordinates: [ 0.718859560000000, 0.500000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 31 coordinates: [ 0.281140440000000, 0.500000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 32 coordinates: [ 0.000000000000000, 0.781140440000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 16 - symbol: O # 33 coordinates: [ 0.693813210000000, 0.693813210000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.193813210000000, 0.806186790000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.306186790000000, 0.693813210000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.806186790000000, 0.806186790000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.682561620000000, 0.817438380000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.317438380000000, 0.817438380000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.682561620000000, 0.182561620000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.317438380000000, 0.182561620000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.317438380000000, 0.182561620000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.682561620000000, 0.182561620000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.317438380000000, 0.817438380000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.682561620000000, 0.817438380000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.571111950000000, 0.768903760000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.268903760000000, 0.928888050000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.731096240000000, 0.071111950000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.428888050000000, 0.768903760000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.571111950000000, 0.231096240000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.428888050000000, 0.231096240000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.268903760000000, 0.071111950000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.731096240000000, 0.928888050000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.500000000000000, 0.669516300000000, 0.250158970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.169516300000000, 0.000000000000000, 0.750158970000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.830483700000000, 0.000000000000000, 0.750158970000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.500000000000000, 0.669516300000000, 0.749841030000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.500000000000000, 0.330483700000000, 0.749841030000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.500000000000000, 0.330483700000000, 0.250158970000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.169516300000000, 0.000000000000000, 0.249841030000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.830483700000000, 0.000000000000000, 0.249841030000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.571475460000000, 0.571475460000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.071475460000000, 0.928524540000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.428524540000000, 0.571475460000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.928524540000000, 0.928524540000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.193813210000000, 0.193813210000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 66 coordinates: [ 0.693813210000000, 0.306186790000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 67 coordinates: [ 0.806186790000000, 0.193813210000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 68 coordinates: [ 0.306186790000000, 0.306186790000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 69 coordinates: [ 0.182561620000000, 0.317438380000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 70 coordinates: [ 0.817438380000000, 0.317438380000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 71 coordinates: [ 0.182561620000000, 0.682561620000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 72 coordinates: [ 0.817438380000000, 0.682561620000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 73 coordinates: [ 0.817438380000000, 0.682561620000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 74 coordinates: [ 0.182561620000000, 0.682561620000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 75 coordinates: [ 0.817438380000000, 0.317438380000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 76 coordinates: [ 0.182561620000000, 0.317438380000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 77 coordinates: [ 0.071111950000000, 0.268903760000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 78 coordinates: [ 0.768903760000000, 0.428888050000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 79 coordinates: [ 0.231096240000000, 0.571111950000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 80 coordinates: [ 0.928888050000000, 0.268903760000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 81 coordinates: [ 0.071111950000000, 0.731096240000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 82 coordinates: [ 0.928888050000000, 0.731096240000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 83 coordinates: [ 0.768903760000000, 0.571111950000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 84 coordinates: [ 0.231096240000000, 0.428888050000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 85 coordinates: [ 0.000000000000000, 0.169516300000000, 0.750158970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 86 coordinates: [ 0.669516300000000, 0.500000000000000, 0.250158970000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 87 coordinates: [ 0.330483700000000, 0.500000000000000, 0.250158970000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 88 coordinates: [ 0.000000000000000, 0.169516300000000, 0.249841030000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 89 coordinates: [ 0.000000000000000, 0.830483700000000, 0.249841030000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 90 coordinates: [ 0.000000000000000, 0.830483700000000, 0.750158970000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 91 coordinates: [ 0.669516300000000, 0.500000000000000, 0.749841030000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 92 coordinates: [ 0.330483700000000, 0.500000000000000, 0.749841030000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 93 coordinates: [ 0.071475460000000, 0.071475460000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 94 coordinates: [ 0.571475460000000, 0.428524540000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 95 coordinates: [ 0.928524540000000, 0.071475460000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 96 coordinates: [ 0.428524540000000, 0.428524540000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 64supercell: lattice: - [ 18.601132419999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 18.601132419999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.282975180000000 ] # c points: - symbol: Si # 1 coordinates: [ 0.657811720000000, 0.774059340000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 2 coordinates: [ 0.274059340000000, 0.842188280000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 3 coordinates: [ 0.725940660000000, 0.157811720000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 4 coordinates: [ 0.342188280000000, 0.774059340000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 5 coordinates: [ 0.657811720000000, 0.225940660000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.342188280000000, 0.225940660000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 7 coordinates: [ 0.274059340000000, 0.157811720000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 8 coordinates: [ 0.725940660000000, 0.842188280000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 9 coordinates: [ 0.500000000000000, 0.620391530000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 10 coordinates: [ 0.120391530000000, 0.000000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 10 - symbol: Si # 11 coordinates: [ 0.879608470000000, 0.000000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 11 - symbol: Si # 12 coordinates: [ 0.500000000000000, 0.379608470000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 12 - symbol: Si # 13 coordinates: [ 0.500000000000000, 0.718859560000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 14 coordinates: [ 0.218859560000000, 0.000000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 15 coordinates: [ 0.781140440000000, 0.000000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 16 coordinates: [ 0.500000000000000, 0.281140440000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 16 - symbol: Si # 17 coordinates: [ 0.157811720000000, 0.274059340000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 18 coordinates: [ 0.774059340000000, 0.342188280000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 19 coordinates: [ 0.225940660000000, 0.657811720000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 20 coordinates: [ 0.842188280000000, 0.274059340000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 21 coordinates: [ 0.157811720000000, 0.725940660000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 22 coordinates: [ 0.842188280000000, 0.725940660000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 23 coordinates: [ 0.774059340000000, 0.657811720000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 24 coordinates: [ 0.225940660000000, 0.342188280000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 25 coordinates: [ 0.000000000000000, 0.120391530000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 26 coordinates: [ 0.620391530000000, 0.500000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 10 - symbol: Si # 27 coordinates: [ 0.379608470000000, 0.500000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 11 - symbol: Si # 28 coordinates: [ 0.000000000000000, 0.879608470000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 12 - symbol: Si # 29 coordinates: [ 0.000000000000000, 0.218859560000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 30 coordinates: [ 0.718859560000000, 0.500000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 31 coordinates: [ 0.281140440000000, 0.500000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 32 coordinates: [ 0.000000000000000, 0.781140440000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 16 - symbol: O # 33 coordinates: [ 0.693813210000000, 0.693813210000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.193813210000000, 0.806186790000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.306186790000000, 0.693813210000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.806186790000000, 0.806186790000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.682561620000000, 0.817438380000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.317438380000000, 0.817438380000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.682561620000000, 0.182561620000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.317438380000000, 0.182561620000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.317438380000000, 0.182561620000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.682561620000000, 0.182561620000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.317438380000000, 0.817438380000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.682561620000000, 0.817438380000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.571111950000000, 0.768903760000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.268903760000000, 0.928888050000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.731096240000000, 0.071111950000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.428888050000000, 0.768903760000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.571111950000000, 0.231096240000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.428888050000000, 0.231096240000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.268903760000000, 0.071111950000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.731096240000000, 0.928888050000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.500000000000000, 0.669516300000000, 0.250158970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.169516300000000, 0.000000000000000, 0.750158970000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.830483700000000, 0.000000000000000, 0.750158970000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.500000000000000, 0.669516300000000, 0.749841030000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.500000000000000, 0.330483700000000, 0.749841030000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.500000000000000, 0.330483700000000, 0.250158970000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.169516300000000, 0.000000000000000, 0.249841030000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.830483700000000, 0.000000000000000, 0.249841030000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.571475460000000, 0.571475460000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.071475460000000, 0.928524540000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.428524540000000, 0.571475460000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.928524540000000, 0.928524540000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.193813210000000, 0.193813210000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 66 coordinates: [ 0.693813210000000, 0.306186790000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 67 coordinates: [ 0.806186790000000, 0.193813210000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 68 coordinates: [ 0.306186790000000, 0.306186790000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 69 coordinates: [ 0.182561620000000, 0.317438380000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 70 coordinates: [ 0.817438380000000, 0.317438380000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 71 coordinates: [ 0.182561620000000, 0.682561620000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 72 coordinates: [ 0.817438380000000, 0.682561620000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 73 coordinates: [ 0.817438380000000, 0.682561620000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 74 coordinates: [ 0.182561620000000, 0.682561620000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 75 coordinates: [ 0.817438380000000, 0.317438380000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 76 coordinates: [ 0.182561620000000, 0.317438380000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 77 coordinates: [ 0.071111950000000, 0.268903760000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 78 coordinates: [ 0.768903760000000, 0.428888050000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 79 coordinates: [ 0.231096240000000, 0.571111950000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 80 coordinates: [ 0.928888050000000, 0.268903760000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 81 coordinates: [ 0.071111950000000, 0.731096240000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 82 coordinates: [ 0.928888050000000, 0.731096240000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 83 coordinates: [ 0.768903760000000, 0.571111950000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 84 coordinates: [ 0.231096240000000, 0.428888050000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 85 coordinates: [ 0.000000000000000, 0.169516300000000, 0.750158970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 86 coordinates: [ 0.669516300000000, 0.500000000000000, 0.250158970000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 87 coordinates: [ 0.330483700000000, 0.500000000000000, 0.250158970000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 88 coordinates: [ 0.000000000000000, 0.169516300000000, 0.249841030000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 89 coordinates: [ 0.000000000000000, 0.830483700000000, 0.249841030000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 90 coordinates: [ 0.000000000000000, 0.830483700000000, 0.750158970000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 91 coordinates: [ 0.669516300000000, 0.500000000000000, 0.749841030000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 92 coordinates: [ 0.330483700000000, 0.500000000000000, 0.749841030000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 93 coordinates: [ 0.071475460000000, 0.071475460000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 94 coordinates: [ 0.571475460000000, 0.428524540000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 95 coordinates: [ 0.928524540000000, 0.071475460000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 96 coordinates: [ 0.428524540000000, 0.428524540000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 64displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.4971685600000000, -0.0119880800000000, 0.0000000000000000 ] - [ 0.0093184300000000, -0.0039273300000000, 0.0000000000000000 ] - [ -0.0024830300000000, 0.0039248300000000, 0.0000000000000000 ] - [ 0.0179379000000000, -0.0010253900000000, 0.0000000000000000 ] - [ -0.0040856300000000, 0.0006221300000000, 0.0000000000000000 ] - [ 0.0000356100000000, -0.0001336100000000, 0.0000000000000000 ] - [ 0.0017786300000000, -0.0010374900000000, 0.0000000000000000 ] - [ 0.0147853000000000, 0.0206693700000000, 0.0000000000000000 ] - [ -0.0061125700000000, 0.0239178600000000, 0.0000000000000000 ] - [ 0.0050514400000000, 0.0009460200000000, 0.0000000000000000 ] - [ 0.0057085600000000, 0.0037737700000000, 0.0000000000000000 ] - [ -0.0037697500000000, 0.0039508700000000, 0.0000000000000000 ] - [ 0.0600461700000000, 0.0315422000000000, 0.0000000000000000 ] - [ 0.0048350700000000, -0.0033460300000000, 0.0000000000000000 ] - [ 0.0023567000000000, 0.0105413000000000, 0.0000000000000000 ] - [ -0.0026616000000000, 0.0022300400000000, 0.0000000000000000 ] - [ 0.0028746900000000, 0.0011976700000000, 0.0000000000000000 ] - [ -0.0007443500000000, -0.0013633500000000, 0.0000000000000000 ] - [ 0.0077292600000000, 0.0013628700000000, 0.0000000000000000 ] - [ 0.0011422100000000, 0.0008468000000000, 0.0000000000000000 ] - [ 0.0095042600000000, -0.0007488000000000, 0.0000000000000000 ] - [ 0.0143947500000000, -0.0010645000000000, 0.0000000000000000 ] - [ 0.0238654100000000, -0.0330044800000000, 0.0000000000000000 ] - [ 0.0013968600000000, 0.0028296400000000, 0.0000000000000000 ] - [ 0.0040754200000000, 0.0009505400000000, 0.0000000000000000 ] - [ -0.0143416900000000, 0.0060201200000000, 0.0000000000000000 ] - [ 0.0046400000000000, 0.0085881100000000, 0.0000000000000000 ] - [ 0.0066616000000000, 0.0029682000000000, 0.0000000000000000 ] - [ 0.0026490600000000, 0.0010734400000000, 0.0000000000000000 ] - [ -0.0101088300000000, -0.0101169600000000, 0.0000000000000000 ] - [ 0.0041481400000000, 0.0025741900000000, 0.0000000000000000 ] - [ 0.0123693400000000, 0.0013635200000000, 0.0000000000000000 ] - [ 0.0718592800000000, -0.0757510100000000, 0.0000000000000000 ] - [ -0.0051891200000000, -0.0013894300000000, 0.0000000000000000 ] - [ -0.0072152800000000, -0.0034031300000000, 0.0000000000000000 ] - [ -0.0043474200000000, -0.0010823900000000, 0.0000000000000000 ] - [ 0.0510716900000000, 0.0354905600000000, -0.0612176200000000 ] - [ -0.0051424000000000, 0.0025734600000000, 0.0031631500000000 ] - [ 0.0011988400000000, -0.0013554600000000, 0.0009840400000000 ] - [ -0.0000574800000000, -0.0001457500000000, -0.0001391200000000 ] - [ -0.0000574800000000, -0.0001457500000000, 0.0001391200000000 ] - [ 0.0011988400000000, -0.0013554600000000, -0.0009840400000000 ] - [ -0.0051424000000000, 0.0025734600000000, -0.0031631500000000 ] - [ 0.0510716900000000, 0.0354905600000000, 0.0612176200000000 ] - [ 0.2621826200000000, 0.0157562100000000, 0.0000000000000000 ] - [ -0.0029317900000000, 0.0046119400000000, 0.0000000000000000 ] - [ 0.0015100200000000, -0.0052469200000000, 0.0000000000000000 ] - [ -0.0197523900000000, 0.0018670600000000, 0.0000000000000000 ] - [ 0.0026527000000000, -0.0011139800000000, 0.0000000000000000 ] - [ 0.0010501700000000, -0.0001694800000000, 0.0000000000000000 ] - [ -0.0008185900000000, 0.0004053300000000, 0.0000000000000000 ] - [ -0.0037034400000000, -0.0111398800000000, 0.0000000000000000 ] - [ -0.0068923300000000, -0.0172426000000000, 0.0122980500000000 ] - [ -0.0027504300000000, 0.0003921800000000, 0.0013221200000000 ] - [ -0.0019786500000000, -0.0023207200000000, -0.0015339700000000 ] - [ -0.0068923300000000, -0.0172426000000000, -0.0122980500000000 ] - [ 0.0009460500000000, -0.0012566200000000, 0.0011541600000000 ] - [ 0.0009460500000000, -0.0012566200000000, -0.0011541600000000 ] - [ -0.0027504300000000, 0.0003921800000000, -0.0013221200000000 ] - [ -0.0019786500000000, -0.0023207200000000, 0.0015339700000000 ] - [ 0.0112615200000000, -0.0106392700000000, 0.0000000000000000 ] - [ -0.0041286600000000, -0.0026020500000000, 0.0000000000000000 ] - [ -0.0053858800000000, -0.0097324200000000, 0.0000000000000000 ] - [ -0.0031398000000000, -0.0005678800000000, 0.0000000000000000 ] - [ -0.0011656500000000, 0.0003556300000000, 0.0000000000000000 ] - [ 0.0014544300000000, 0.0004126300000000, 0.0000000000000000 ] - [ -0.0001490800000000, -0.0010222200000000, 0.0000000000000000 ] - [ -0.0002861000000000, -0.0006394400000000, 0.0000000000000000 ] - [ -0.0013267900000000, -0.0005778600000000, 0.0007361000000000 ] - [ 0.0002648700000000, 0.0004039800000000, -0.0000192000000000 ] - [ -0.0037973600000000, 0.0003780800000000, -0.0018185500000000 ] - [ -0.0050512800000000, 0.0028523600000000, -0.0024867800000000 ] - [ -0.0050512800000000, 0.0028523600000000, 0.0024867800000000 ] - [ -0.0037973600000000, 0.0003780800000000, 0.0018185500000000 ] - [ 0.0002648700000000, 0.0004039800000000, 0.0000192000000000 ] - [ -0.0013267900000000, -0.0005778600000000, -0.0007361000000000 ] - [ -0.0029015200000000, -0.0007395700000000, 0.0000000000000000 ] - [ 0.0011957200000000, 0.0026588900000000, 0.0000000000000000 ] - [ -0.0018457100000000, -0.0010623800000000, 0.0000000000000000 ] - [ -0.0007560200000000, 0.0001462700000000, 0.0000000000000000 ] - [ -0.0085271100000000, 0.0016627900000000, 0.0000000000000000 ] - [ -0.0095147700000000, -0.0023292500000000, 0.0000000000000000 ] - [ 0.0020614800000000, 0.0125001300000000, 0.0000000000000000 ] - [ -0.0017543600000000, -0.0022092100000000, 0.0000000000000000 ] - [ -0.0009865800000000, -0.0007682000000000, 0.0001340000000000 ] - [ 0.0059930500000000, 0.0008345900000000, -0.0040953500000000 ] - [ -0.0020490300000000, -0.0016243000000000, -0.0015441300000000 ] - [ -0.0009865800000000, -0.0007682000000000, -0.0001340000000000 ] - [ -0.0029698900000000, -0.0008592400000000, 0.0008562300000000 ] - [ -0.0029698900000000, -0.0008592400000000, -0.0008562300000000 ] - [ 0.0059930500000000, 0.0008345900000000, 0.0040953500000000 ] - [ -0.0020490300000000, -0.0016243000000000, 0.0015441300000000 ] - [ -0.0024122500000000, 0.0007191100000000, 0.0000000000000000 ] - [ 0.0031566700000000, -0.0009761900000000, 0.0000000000000000 ] - [ -0.0033984000000000, -0.0027815800000000, 0.0000000000000000 ] - [ 0.0021654100000000, -0.0041846700000000, 0.0000000000000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.5172930800000000, 0.0164132100000000, 0.0000000000000000 ] - [ -0.0084411000000000, 0.0044240300000000, 0.0000000000000000 ] - [ 0.0015980400000000, -0.0044270500000000, 0.0000000000000000 ] - [ -0.0174802500000000, 0.0019151800000000, 0.0000000000000000 ] - [ 0.0036043700000000, -0.0015130600000000, 0.0000000000000000 ] - [ 0.0004563500000000, -0.0007526400000000, 0.0000000000000000 ] - [ -0.0008920400000000, 0.0005539500000000, 0.0000000000000000 ] - [ -0.0158886400000000, -0.0200974800000000, 0.0000000000000000 ] - [ 0.0061508900000000, -0.0256270800000000, 0.0000000000000000 ] - [ -0.0066838400000000, -0.0009365500000000, 0.0000000000000000 ] - [ -0.0041102800000000, -0.0037628500000000, 0.0000000000000000 ] - [ 0.0037839000000000, -0.0023292400000000, 0.0000000000000000 ] - [ -0.0605911600000000, -0.0320666700000000, 0.0000000000000000 ] - [ -0.0052472200000000, 0.0033540800000000, 0.0000000000000000 ] - [ -0.0019853800000000, -0.0105742200000000, 0.0000000000000000 ] - [ 0.0026712300000000, -0.0018284600000000, 0.0000000000000000 ] - [ -0.0033680400000000, -0.0003138800000000, 0.0000000000000000 ] - [ 0.0016273300000000, 0.0018545700000000, 0.0000000000000000 ] - [ -0.0086226000000000, -0.0018552200000000, 0.0000000000000000 ] - [ -0.0006605700000000, 0.0000347500000000, 0.0000000000000000 ] - [ -0.0099949100000000, -0.0001364400000000, 0.0000000000000000 ] - [ -0.0138968000000000, 0.0001954200000000, 0.0000000000000000 ] - [ -0.0230406400000000, 0.0322433100000000, 0.0000000000000000 ] - [ -0.0022830200000000, -0.0023487800000000, 0.0000000000000000 ] - [ -0.0040819300000000, -0.0025769000000000, 0.0000000000000000 ] - [ 0.0127439100000000, -0.0060264300000000, 0.0000000000000000 ] - [ -0.0030192600000000, -0.0086106400000000, 0.0000000000000000 ] - [ -0.0066665100000000, -0.0013294100000000, 0.0000000000000000 ] - [ -0.0026572200000000, -0.0014806000000000, 0.0000000000000000 ] - [ 0.0097110500000000, 0.0101419400000000, 0.0000000000000000 ] - [ -0.0037447600000000, -0.0025827500000000, 0.0000000000000000 ] - [ -0.0123650400000000, -0.0009468000000000, 0.0000000000000000 ] - [ -0.0719491200000000, 0.0738810300000000, 0.0000000000000000 ] - [ 0.0052455100000000, 0.0013331000000000, 0.0000000000000000 ] - [ 0.0071662000000000, 0.0034585100000000, 0.0000000000000000 ] - [ 0.0043676900000000, 0.0009985000000000, 0.0000000000000000 ] - [ -0.0522850400000000, -0.0350283000000000, 0.0611985600000000 ] - [ 0.0055578500000000, -0.0021650100000000, -0.0031653600000000 ] - [ -0.0016114600000000, 0.0009488300000000, -0.0009861300000000 ] - [ 0.0004670200000000, -0.0002649000000000, 0.0001390000000000 ] - [ 0.0004670200000000, -0.0002649000000000, -0.0001390000000000 ] - [ -0.0016114600000000, 0.0009488300000000, 0.0009861300000000 ] - [ 0.0055578500000000, -0.0021650100000000, 0.0031653600000000 ] - [ -0.0522850400000000, -0.0350283000000000, -0.0611985600000000 ] - [ -0.2812356300000000, -0.0171374300000000, 0.0000000000000000 ] - [ 0.0030995200000000, -0.0038725100000000, 0.0000000000000000 ] - [ -0.0016694400000000, 0.0045163400000000, 0.0000000000000000 ] - [ 0.0204788000000000, -0.0017007300000000, 0.0000000000000000 ] - [ -0.0034067100000000, 0.0009546000000000, 0.0000000000000000 ] - [ -0.0003091300000000, 0.0000061800000000, 0.0000000000000000 ] - [ 0.0009830700000000, -0.0011561000000000, 0.0000000000000000 ] - [ 0.0036057000000000, 0.0119680700000000, 0.0000000000000000 ] - [ 0.0069274400000000, 0.0173000100000000, -0.0130325500000000 ] - [ 0.0027593400000000, -0.0003941200000000, -0.0020166300000000 ] - [ 0.0019882800000000, 0.0023232200000000, 0.0008515500000000 ] - [ 0.0069274400000000, 0.0173000100000000, 0.0130325500000000 ] - [ -0.0009492800000000, 0.0012522200000000, -0.0004622400000000 ] - [ -0.0009492800000000, 0.0012522200000000, 0.0004622400000000 ] - [ 0.0027593400000000, -0.0003941200000000, 0.0020166300000000 ] - [ 0.0019882800000000, 0.0023232200000000, -0.0008515500000000 ] - [ -0.0110677300000000, 0.0108877000000000, 0.0000000000000000 ] - [ 0.0043539400000000, 0.0023757900000000, 0.0000000000000000 ] - [ 0.0051694500000000, 0.0099806000000000, 0.0000000000000000 ] - [ 0.0029244100000000, 0.0003292700000000, 0.0000000000000000 ] - [ 0.0012209800000000, -0.0003011400000000, 0.0000000000000000 ] - [ -0.0014005400000000, -0.0004671100000000, 0.0000000000000000 ] - [ 0.0000970400000000, 0.0010830500000000, 0.0000000000000000 ] - [ 0.0002281000000000, 0.0005851900000000, 0.0000000000000000 ] - [ 0.0009180500000000, 0.0009900000000000, -0.0007374500000000 ] - [ 0.0001474000000000, 0.0000062500000000, 0.0000182500000000 ] - [ 0.0033878000000000, -0.0007884500000000, 0.0018188900000000 ] - [ 0.0054837200000000, -0.0032323400000000, 0.0024865000000000 ] - [ 0.0054837200000000, -0.0032323400000000, -0.0024865000000000 ] - [ 0.0033878000000000, -0.0007884500000000, -0.0018188900000000 ] - [ 0.0001474000000000, 0.0000062500000000, -0.0000182500000000 ] - [ 0.0009180500000000, 0.0009900000000000, 0.0007374500000000 ] - [ 0.0021608500000000, 0.0009040200000000, 0.0000000000000000 ] - [ -0.0010308700000000, -0.0019195000000000, 0.0000000000000000 ] - [ 0.0016815400000000, 0.0003188800000000, 0.0000000000000000 ] - [ 0.0015071900000000, 0.0000149400000000, 0.0000000000000000 ] - [ 0.0077818000000000, -0.0018268700000000, 0.0000000000000000 ] - [ 0.0102564500000000, 0.0021605400000000, 0.0000000000000000 ] - [ -0.0018537000000000, -0.0132910500000000, 0.0000000000000000 ] - [ 0.0015930400000000, 0.0029615400000000, 0.0000000000000000 ] - [ 0.0009895800000000, 0.0007757700000000, -0.0008280900000000 ] - [ -0.0059942500000000, -0.0008390900000000, 0.0034080000000000 ] - [ 0.0020444200000000, 0.0016282100000000, 0.0008524700000000 ] - [ 0.0009895800000000, 0.0007757700000000, 0.0008280900000000 ] - [ 0.0029694500000000, 0.0008457000000000, -0.0001586400000000 ] - [ 0.0029694500000000, 0.0008457000000000, 0.0001586400000000 ] - [ -0.0059942500000000, -0.0008390900000000, -0.0034080000000000 ] - [ 0.0020444200000000, 0.0016282100000000, -0.0008524700000000 ] - [ 0.0026394800000000, -0.0005037900000000, 0.0000000000000000 ] - [ -0.0029445300000000, 0.0007534200000000, 0.0000000000000000 ] - [ 0.0031829000000000, 0.0030093500000000, 0.0000000000000000 ] - [ -0.0023958500000000, 0.0039723600000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0197233500000000, -0.4512188200000000, 0.0000000000000000 ] - [ 0.0003540500000000, -0.0018064700000000, 0.0000000000000000 ] - [ -0.0003465500000000, 0.0086456900000000, 0.0000000000000000 ] - [ 0.0017275100000000, -0.0023526700000000, 0.0000000000000000 ] - [ -0.0013103900000000, 0.0058490500000000, 0.0000000000000000 ] - [ 0.0005469200000000, 0.0013792300000000, 0.0000000000000000 ] - [ 0.0004076800000000, 0.0010932100000000, 0.0000000000000000 ] - [ 0.0367931700000000, 0.0154948500000000, 0.0000000000000000 ] - [ 0.0078593500000000, -0.0019379500000000, 0.0000000000000000 ] - [ 0.0005492200000000, -0.0001788300000000, 0.0000000000000000 ] - [ 0.0095860000000000, 0.0015296300000000, 0.0000000000000000 ] - [ 0.0030127500000000, 0.0057136200000000, 0.0000000000000000 ] - [ 0.0131596400000000, -0.0058667800000000, 0.0000000000000000 ] - [ 0.0004391400000000, -0.0002687200000000, 0.0000000000000000 ] - [ 0.0083822800000000, 0.0139519600000000, 0.0000000000000000 ] - [ -0.0006683800000000, 0.0045967500000000, 0.0000000000000000 ] - [ 0.0005157600000000, 0.0019490900000000, 0.0000000000000000 ] - [ -0.0001715000000000, 0.0084190500000000, 0.0000000000000000 ] - [ 0.0001766800000000, -0.0014220400000000, 0.0000000000000000 ] - [ -0.0001612500000000, 0.0058820500000000, 0.0000000000000000 ] - [ 0.0000671300000000, -0.0021116200000000, 0.0000000000000000 ] - [ -0.0003977600000000, -0.0372941200000000, 0.0000000000000000 ] - [ -0.0521656400000000, 0.0230968600000000, 0.0000000000000000 ] - [ -0.0000269800000000, 0.0020840000000000, 0.0000000000000000 ] - [ 0.0031534900000000, 0.0022350900000000, 0.0000000000000000 ] - [ 0.0040992300000000, 0.0065296000000000, 0.0000000000000000 ] - [ 0.0035491500000000, 0.0019422300000000, 0.0000000000000000 ] - [ 0.0042423200000000, -0.0034796800000000, 0.0000000000000000 ] - [ 0.0001485700000000, 0.0026857000000000, 0.0000000000000000 ] - [ 0.0002935200000000, 0.0137093800000000, 0.0000000000000000 ] - [ 0.0021164900000000, 0.0005284300000000, 0.0000000000000000 ] - [ -0.0010742300000000, -0.0050970300000000, 0.0000000000000000 ] - [ -0.0701155200000000, 0.2001363300000000, 0.0000000000000000 ] - [ 0.0002399700000000, 0.0009556000000000, 0.0000000000000000 ] - [ -0.0004065800000000, 0.0008910400000000, 0.0000000000000000 ] - [ -0.0256620600000000, 0.0186302200000000, 0.0000000000000000 ] - [ 0.0327788600000000, 0.0925269900000000, -0.1075817600000000 ] - [ -0.0001093600000000, 0.0013318800000000, 0.0006261600000000 ] - [ 0.0005943200000000, -0.0033179500000000, 0.0015723400000000 ] - [ 0.0000881200000000, -0.0009061100000000, -0.0003451400000000 ] - [ 0.0000881200000000, -0.0009061100000000, 0.0003451400000000 ] - [ 0.0005943200000000, -0.0033179500000000, -0.0015723400000000 ] - [ -0.0001093600000000, 0.0013318800000000, -0.0006261600000000 ] - [ 0.0327788600000000, 0.0925269900000000, 0.1075817600000000 ] - [ 0.0195808500000000, 0.0338608500000000, 0.0000000000000000 ] - [ -0.0000129600000000, 0.0014925400000000, 0.0000000000000000 ] - [ 0.0003510900000000, -0.0080344300000000, 0.0000000000000000 ] - [ -0.0027750700000000, 0.0027336800000000, 0.0000000000000000 ] - [ 0.0012631200000000, -0.0022381500000000, 0.0000000000000000 ] - [ -0.0001690500000000, -0.0013780800000000, 0.0000000000000000 ] - [ 0.0000359000000000, -0.0010195100000000, 0.0000000000000000 ] - [ -0.0079032800000000, -0.0114256500000000, 0.0000000000000000 ] - [ -0.0022177200000000, 0.0034774100000000, -0.0021330100000000 ] - [ -0.0005093700000000, 0.0000717000000000, -0.0000047300000000 ] - [ -0.0043649900000000, -0.0023940600000000, -0.0027263700000000 ] - [ -0.0022177200000000, 0.0034774100000000, 0.0021330100000000 ] - [ -0.0003157200000000, -0.0023219100000000, 0.0017405100000000 ] - [ -0.0003157200000000, -0.0023219100000000, -0.0017405100000000 ] - [ -0.0005093700000000, 0.0000717000000000, 0.0000047300000000 ] - [ -0.0043649900000000, -0.0023940600000000, 0.0027263700000000 ] - [ -0.0037766200000000, -0.0008516500000000, 0.0000000000000000 ] - [ -0.0010315600000000, 0.0002560200000000, 0.0000000000000000 ] - [ -0.0029916200000000, -0.0013433300000000, 0.0000000000000000 ] - [ -0.0045221000000000, 0.0024325800000000, 0.0000000000000000 ] - [ 0.0001032700000000, -0.0007077700000000, 0.0000000000000000 ] - [ -0.0013281800000000, -0.0040810100000000, 0.0000000000000000 ] - [ -0.0017855000000000, -0.0039828000000000, 0.0000000000000000 ] - [ 0.0000827800000000, -0.0009970300000000, 0.0000000000000000 ] - [ -0.0005461600000000, -0.0005151800000000, 0.0004310800000000 ] - [ 0.0010278500000000, -0.0025156500000000, -0.0014751700000000 ] - [ -0.0004865500000000, 0.0004258800000000, -0.0004008800000000 ] - [ 0.0161291900000000, 0.0083002500000000, 0.0145166500000000 ] - [ 0.0161291900000000, 0.0083002500000000, -0.0145166500000000 ] - [ -0.0004865500000000, 0.0004258800000000, 0.0004008800000000 ] - [ 0.0010278500000000, -0.0025156500000000, 0.0014751700000000 ] - [ -0.0005461600000000, -0.0005151800000000, -0.0004310800000000 ] - [ -0.0011932200000000, -0.0008801500000000, 0.0000000000000000 ] - [ 0.0019107300000000, -0.0070624000000000, 0.0000000000000000 ] - [ -0.0005464400000000, 0.0002704900000000, 0.0000000000000000 ] - [ 0.0011759800000000, -0.0013878200000000, 0.0000000000000000 ] - [ -0.0006838500000000, 0.0011095800000000, 0.0000000000000000 ] - [ 0.0039797000000000, 0.0063643600000000, 0.0000000000000000 ] - [ 0.0037711800000000, -0.0117590000000000, 0.0000000000000000 ] - [ -0.0006854200000000, -0.0009366300000000, 0.0000000000000000 ] - [ -0.0004696800000000, -0.0015234800000000, 0.0005576800000000 ] - [ -0.0012933400000000, -0.0033341200000000, 0.0007606300000000 ] - [ -0.0011446300000000, -0.0003473900000000, -0.0010635700000000 ] - [ -0.0004696800000000, -0.0015234800000000, -0.0005576800000000 ] - [ -0.0004994900000000, 0.0025760800000000, -0.0011413400000000 ] - [ -0.0004994900000000, 0.0025760800000000, 0.0011413400000000 ] - [ -0.0012933400000000, -0.0033341200000000, -0.0007606300000000 ] - [ -0.0011446300000000, -0.0003473900000000, 0.0010635700000000 ] - [ -0.0010265600000000, 0.0001086300000000, 0.0000000000000000 ] - [ -0.0035268700000000, -0.0044587800000000, 0.0000000000000000 ] - [ -0.0038712200000000, -0.0028709900000000, 0.0000000000000000 ] - [ -0.0009375700000000, -0.0011761500000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0085426400000000, 0.4627208200000000, 0.0000000000000000 ] - [ 0.0005370800000000, 0.0022783500000000, 0.0000000000000000 ] - [ -0.0005296700000000, -0.0091168400000000, 0.0000000000000000 ] - [ -0.0012097100000000, 0.0032298300000000, 0.0000000000000000 ] - [ 0.0008207000000000, -0.0067214500000000, 0.0000000000000000 ] - [ -0.0000684100000000, -0.0022587100000000, 0.0000000000000000 ] - [ 0.0004717700000000, -0.0015805600000000, 0.0000000000000000 ] - [ -0.0375307200000000, -0.0151739700000000, 0.0000000000000000 ] - [ -0.0078895700000000, 0.0003583500000000, 0.0000000000000000 ] - [ -0.0021747200000000, 0.0001745300000000, 0.0000000000000000 ] - [ -0.0079351300000000, -0.0015387400000000, 0.0000000000000000 ] - [ -0.0030203100000000, -0.0040775900000000, 0.0000000000000000 ] - [ -0.0131468800000000, 0.0055699000000000, 0.0000000000000000 ] - [ -0.0008459500000000, 0.0002581900000000, 0.0000000000000000 ] - [ -0.0079482100000000, -0.0139407800000000, 0.0000000000000000 ] - [ 0.0006619900000000, -0.0041842200000000, 0.0000000000000000 ] - [ -0.0009982300000000, -0.0010649300000000, 0.0000000000000000 ] - [ 0.0010558500000000, -0.0079289800000000, 0.0000000000000000 ] - [ -0.0010506400000000, 0.0009456400000000, 0.0000000000000000 ] - [ 0.0006540300000000, -0.0049962000000000, 0.0000000000000000 ] - [ -0.0005479300000000, 0.0012304700000000, 0.0000000000000000 ] - [ 0.0008664900000000, 0.0364805400000000, 0.0000000000000000 ] - [ 0.0532952900000000, -0.0238147500000000, 0.0000000000000000 ] - [ -0.0008545000000000, -0.0015928000000000, 0.0000000000000000 ] - [ -0.0031416200000000, -0.0038643500000000, 0.0000000000000000 ] - [ -0.0057398500000000, -0.0065381000000000, 0.0000000000000000 ] - [ -0.0019219300000000, -0.0019280400000000, 0.0000000000000000 ] - [ -0.0042370000000000, 0.0050931900000000, 0.0000000000000000 ] - [ -0.0001436700000000, -0.0030924700000000, 0.0000000000000000 ] - [ -0.0006735400000000, -0.0137034400000000, 0.0000000000000000 ] - [ -0.0017072000000000, -0.0005208200000000, 0.0000000000000000 ] - [ 0.0010711100000000, 0.0055004400000000, 0.0000000000000000 ] - [ 0.0766802800000000, -0.2119741400000000, 0.0000000000000000 ] - [ -0.0001937000000000, -0.0010055700000000, 0.0000000000000000 ] - [ 0.0003457400000000, -0.0008486700000000, 0.0000000000000000 ] - [ 0.0256871600000000, -0.0186864500000000, 0.0000000000000000 ] - [ -0.0320897400000000, -0.0914809000000000, 0.1045103800000000 ] - [ 0.0005138200000000, -0.0009123200000000, -0.0006197500000000 ] - [ -0.0010078900000000, 0.0028987100000000, -0.0015704100000000 ] - [ 0.0003276300000000, 0.0004933200000000, 0.0003463600000000 ] - [ 0.0003276300000000, 0.0004933200000000, -0.0003463600000000 ] - [ -0.0010078900000000, 0.0028987100000000, 0.0015704100000000 ] - [ 0.0005138200000000, -0.0009123200000000, 0.0006197500000000 ] - [ -0.0320897400000000, -0.0914809000000000, -0.1045103800000000 ] - [ -0.0187093600000000, -0.0333263000000000, 0.0000000000000000 ] - [ 0.0001726100000000, -0.0007300600000000, 0.0000000000000000 ] - [ -0.0005171500000000, 0.0072741600000000, 0.0000000000000000 ] - [ 0.0034601200000000, -0.0025685400000000, 0.0000000000000000 ] - [ -0.0020102400000000, 0.0020724700000000, 0.0000000000000000 ] - [ 0.0009257400000000, 0.0012156600000000, 0.0000000000000000 ] - [ 0.0001297200000000, 0.0002708300000000, 0.0000000000000000 ] - [ 0.0077190000000000, 0.0122245200000000, 0.0000000000000000 ] - [ 0.0022098100000000, -0.0035404500000000, 0.0014741700000000 ] - [ 0.0005056100000000, -0.0000692300000000, -0.0006840200000000 ] - [ 0.0043528100000000, 0.0023936500000000, 0.0020304000000000 ] - [ 0.0022098100000000, -0.0035404500000000, -0.0014741700000000 ] - [ 0.0003180600000000, 0.0023212800000000, -0.0010484300000000 ] - [ 0.0003180600000000, 0.0023212800000000, 0.0010484300000000 ] - [ 0.0005056100000000, -0.0000692300000000, 0.0006840200000000 ] - [ 0.0043528100000000, 0.0023936500000000, -0.0020304000000000 ] - [ 0.0040178300000000, 0.0010566300000000, 0.0000000000000000 ] - [ 0.0012458800000000, -0.0004656400000000, 0.0000000000000000 ] - [ 0.0027731900000000, 0.0015409400000000, 0.0000000000000000 ] - [ 0.0042944900000000, -0.0026374500000000, 0.0000000000000000 ] - [ -0.0000548300000000, 0.0007571500000000, 0.0000000000000000 ] - [ 0.0013753800000000, 0.0040275900000000, 0.0000000000000000 ] - [ 0.0017304500000000, 0.0040267200000000, 0.0000000000000000 ] - [ -0.0001311100000000, 0.0009433900000000, 0.0000000000000000 ] - [ 0.0001321700000000, 0.0009268500000000, -0.0004304100000000 ] - [ -0.0006149100000000, 0.0029275000000000, 0.0014744600000000 ] - [ 0.0000700100000000, -0.0008403600000000, 0.0003995700000000 ] - [ -0.0157411800000000, -0.0087269800000000, -0.0145432300000000 ] - [ -0.0157411800000000, -0.0087269800000000, 0.0145432300000000 ] - [ 0.0000700100000000, -0.0008403600000000, -0.0003995700000000 ] - [ -0.0006149100000000, 0.0029275000000000, -0.0014744600000000 ] - [ 0.0001321700000000, 0.0009268500000000, 0.0004304100000000 ] - [ 0.0004380100000000, 0.0010405400000000, 0.0000000000000000 ] - [ -0.0017497900000000, 0.0078088600000000, 0.0000000000000000 ] - [ 0.0003832400000000, -0.0010297300000000, 0.0000000000000000 ] - [ -0.0004284000000000, 0.0015480100000000, 0.0000000000000000 ] - [ -0.0000698700000000, -0.0012687300000000, 0.0000000000000000 ] - [ -0.0032168100000000, -0.0065351700000000, 0.0000000000000000 ] - [ -0.0035960100000000, 0.0109394400000000, 0.0000000000000000 ] - [ 0.0005215700000000, 0.0016833300000000, 0.0000000000000000 ] - [ 0.0004680600000000, 0.0015223800000000, -0.0012487600000000 ] - [ 0.0012883400000000, 0.0033378900000000, -0.0014515000000000 ] - [ 0.0011471300000000, 0.0003435100000000, 0.0003736100000000 ] - [ 0.0004680600000000, 0.0015223800000000, 0.0012487600000000 ] - [ 0.0005001500000000, -0.0025706000000000, 0.0018301200000000 ] - [ 0.0005001500000000, -0.0025706000000000, -0.0018301200000000 ] - [ 0.0012883400000000, 0.0033378900000000, 0.0014515000000000 ] - [ 0.0011471300000000, 0.0003435100000000, -0.0003736100000000 ] - [ 0.0012340700000000, 0.0001070000000000, 0.0000000000000000 ] - [ 0.0037430400000000, 0.0042479700000000, 0.0000000000000000 ] - [ 0.0036474100000000, 0.0030856000000000, 0.0000000000000000 ] - [ 0.0007310000000000, 0.0009546300000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0049252300000000, -0.0073252000000000, -0.4533138900000000 ] - [ 0.0004379500000000, 0.0002367300000000, 0.0000458500000000 ] - [ -0.0004363000000000, -0.0002405700000000, 0.0000465800000000 ] - [ 0.0002401800000000, 0.0004377600000000, -0.0001527200000000 ] - [ -0.0002362200000000, -0.0004389600000000, -0.0000209600000000 ] - [ 0.0002367600000000, -0.0004377100000000, -0.0000010000000000 ] - [ 0.0004373000000000, -0.0002370500000000, 0.0000007000000000 ] - [ -0.0002614700000000, 0.0005319800000000, 0.1115418400000000 ] - [ -0.0000165700000000, -0.0008148900000000, 0.0011923700000000 ] - [ -0.0008100300000000, 0.0000012600000000, -0.0000004000000000 ] - [ 0.0008045700000000, 0.0000008700000000, -0.0001191300000000 ] - [ 0.0000000700000000, 0.0008082500000000, 0.0000007700000000 ] - [ 0.0000158700000000, -0.0002015500000000, -0.0002462200000000 ] - [ -0.0002015300000000, -0.0000002500000000, 0.0000012100000000 ] - [ 0.0001979400000000, -0.0000031400000000, -0.0003213600000000 ] - [ 0.0000011300000000, 0.0001991900000000, -0.0000014100000000 ] - [ -0.0002379300000000, 0.0004372900000000, -0.0000007300000000 ] - [ 0.0004376400000000, 0.0002362700000000, 0.0000011300000000 ] - [ -0.0004369400000000, -0.0002361000000000, 0.0000011300000000 ] - [ 0.0002375300000000, 0.0004356000000000, -0.0000007000000000 ] - [ -0.0002360500000000, -0.0004370000000000, -0.0000006500000000 ] - [ 0.0002567000000000, -0.0004588900000000, 0.0023540000000000 ] - [ 0.0004492600000000, -0.0002199700000000, -0.0011637500000000 ] - [ -0.0004377100000000, 0.0002367200000000, 0.0000005400000000 ] - [ -0.0000005100000000, -0.0008102700000000, -0.0000039500000000 ] - [ -0.0008060000000000, -0.0000088700000000, 0.0001297700000000 ] - [ 0.0008080400000000, -0.0000007400000000, 0.0000056200000000 ] - [ -0.0000007700000000, 0.0008114700000000, -0.0000145500000000 ] - [ -0.0000007200000000, -0.0002012900000000, 0.0000018300000000 ] - [ -0.0001956800000000, 0.0000031200000000, -0.0001272800000000 ] - [ 0.0002000700000000, -0.0000002700000000, -0.0000036700000000 ] - [ 0.0000025500000000, 0.0002028700000000, 0.0000185000000000 ] - [ -0.0003368900000000, 0.0007583100000000, 0.0279266700000000 ] - [ 0.0000219500000000, -0.0000227400000000, -0.0000065600000000 ] - [ -0.0000234600000000, 0.0000208200000000, 0.0000219100000000 ] - [ -0.0000179200000000, -0.0000293500000000, -0.0157196700000000 ] - [ -0.0466373400000000, -0.0884769700000000, 0.1532800800000000 ] - [ 0.0002449800000000, 0.0001916100000000, -0.0000194700000000 ] - [ -0.0002078800000000, -0.0002207100000000, 0.0000046000000000 ] - [ 0.0002080300000000, -0.0002074900000000, 0.0000004000000000 ] - [ 0.0002082900000000, -0.0002077100000000, -0.0000003000000000 ] - [ -0.0002095600000000, -0.0001931000000000, 0.0000061000000000 ] - [ 0.0001688500000000, 0.0002246800000000, -0.0000212000000000 ] - [ 0.0501056700000000, 0.0954793400000000, 0.1622701700000000 ] - [ 0.0005326700000000, 0.0002098600000000, 0.0253647500000000 ] - [ 0.0000773500000000, 0.0003825000000000, -0.0000046500000000 ] - [ -0.0000773700000000, -0.0003772100000000, 0.0000623400000000 ] - [ 0.0003640900000000, 0.0000756000000000, -0.0004345900000000 ] - [ -0.0003833100000000, -0.0000757600000000, 0.0000007600000000 ] - [ 0.0003824600000000, -0.0000770800000000, -0.0000018300000000 ] - [ 0.0000785600000000, -0.0003823600000000, 0.0000019200000000 ] - [ -0.0000536200000000, 0.0004362300000000, -0.0139177700000000 ] - [ 0.0002729800000000, -0.0010856100000000, 0.0004436500000000 ] - [ -0.0000083700000000, 0.0000001900000000, -0.0003393100000000 ] - [ -0.0003382400000000, -0.0000510100000000, -0.0006212100000000 ] - [ -0.0002759100000000, 0.0010457400000000, 0.0010915800000000 ] - [ -0.0000003800000000, 0.0000095900000000, 0.0003388400000000 ] - [ 0.0000003700000000, 0.0000107300000000, -0.0003474300000000 ] - [ -0.0000100700000000, -0.0000002100000000, 0.0003477200000000 ] - [ 0.0003642900000000, 0.0000533800000000, 0.0000612200000000 ] - [ 0.0001083800000000, 0.0001116500000000, -0.0003292800000000 ] - [ 0.0001054400000000, -0.0001056600000000, -0.0000001700000000 ] - [ -0.0001033300000000, 0.0001043300000000, -0.0000342600000000 ] - [ -0.0001043800000000, -0.0001082500000000, 0.0000437400000000 ] - [ 0.0000216400000000, 0.0000216700000000, 0.0000005400000000 ] - [ 0.0000219800000000, -0.0000213500000000, 0.0000032700000000 ] - [ -0.0000219900000000, 0.0000239700000000, -0.0000046300000000 ] - [ -0.0000224700000000, -0.0000226100000000, -0.0000004800000000 ] - [ -0.0002071300000000, 0.0002076100000000, -0.0000001800000000 ] - [ 0.0002077000000000, 0.0002097500000000, 0.0000002700000000 ] - [ -0.0002076300000000, -0.0002081200000000, 0.0000011200000000 ] - [ 0.0005668400000000, 0.0006972000000000, 0.0006216900000000 ] - [ -0.0001317000000000, -0.0011076300000000, 0.0005863900000000 ] - [ -0.0002089100000000, -0.0002082600000000, 0.0000013900000000 ] - [ 0.0002083500000000, 0.0002076400000000, -0.0000001800000000 ] - [ -0.0002078700000000, 0.0002084300000000, 0.0000003200000000 ] - [ -0.0003816400000000, 0.0000773400000000, 0.0000024300000000 ] - [ 0.0000765500000000, 0.0003828000000000, 0.0000283100000000 ] - [ -0.0000776400000000, -0.0003830600000000, -0.0000024600000000 ] - [ 0.0003822800000000, 0.0000761300000000, 0.0000029000000000 ] - [ -0.0003833600000000, -0.0000766600000000, -0.0000084400000000 ] - [ 0.0003804600000000, -0.0000761400000000, 0.0001433500000000 ] - [ 0.0000837000000000, -0.0003968200000000, -0.0006740000000000 ] - [ -0.0000773000000000, 0.0003826700000000, -0.0000021000000000 ] - [ 0.0000012900000000, -0.0000070700000000, -0.0003402100000000 ] - [ -0.0000160300000000, 0.0000422300000000, -0.0003320800000000 ] - [ 0.0000116100000000, 0.0000016200000000, -0.0003472100000000 ] - [ -0.0000004900000000, -0.0000105600000000, 0.0003477700000000 ] - [ -0.0000024200000000, 0.0000075500000000, 0.0003365800000000 ] - [ 0.0000017600000000, 0.0000086100000000, -0.0003527400000000 ] - [ -0.0000067400000000, -0.0000406700000000, 0.0003506600000000 ] - [ 0.0000089400000000, -0.0000015800000000, 0.0003387400000000 ] - [ 0.0001051000000000, 0.0001037400000000, 0.0000006200000000 ] - [ 0.0001039400000000, -0.0001012400000000, -0.0000015600000000 ] - [ -0.0001044400000000, 0.0001072800000000, -0.0000180300000000 ] - [ -0.0001046000000000, -0.0001044700000000, -0.0000002300000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0064180600000000, 0.0083320100000000, 0.0000000000000000 ] - [ 0.0019823700000000, -0.0035222600000000, 0.0000000000000000 ] - [ -0.0006198400000000, -0.0011851300000000, 0.0000000000000000 ] - [ -0.0058462100000000, -0.0074158300000000, 0.0000000000000000 ] - [ -0.0040226900000000, -0.0034598700000000, 0.0000000000000000 ] - [ -0.0035311400000000, 0.0025729000000000, 0.0000000000000000 ] - [ 0.0002675300000000, 0.0006973400000000, 0.0000000000000000 ] - [ 0.0010852100000000, 0.0040145300000000, 0.0000000000000000 ] - [ -0.4903856000000000, 0.0085491500000000, 0.0000000000000000 ] - [ 0.0019274500000000, -0.0002476900000000, 0.0000000000000000 ] - [ 0.0035492000000000, 0.0002499900000000, 0.0000000000000000 ] - [ -0.0324803000000000, 0.0008143600000000, 0.0000000000000000 ] - [ -0.0084141200000000, -0.0002370300000000, 0.0000000000000000 ] - [ 0.0016993000000000, -0.0013253800000000, 0.0000000000000000 ] - [ 0.0021047600000000, 0.0013239300000000, 0.0000000000000000 ] - [ -0.0052529700000000, 0.0002061300000000, 0.0000000000000000 ] - [ 0.0038353900000000, 0.0035882900000000, 0.0000000000000000 ] - [ 0.0023756000000000, -0.0083607300000000, 0.0000000000000000 ] - [ 0.0060849300000000, -0.0062631000000000, 0.0000000000000000 ] - [ 0.0043215300000000, -0.0027082800000000, 0.0000000000000000 ] - [ 0.0064189800000000, -0.0046741900000000, 0.0000000000000000 ] - [ 0.0069088200000000, 0.0038046500000000, 0.0000000000000000 ] - [ 0.0069814400000000, 0.0057821800000000, 0.0000000000000000 ] - [ 0.0014942000000000, 0.0088379100000000, 0.0000000000000000 ] - [ 0.0027292400000000, -0.0008136000000000, 0.0000000000000000 ] - [ 0.0260106900000000, -0.0492391100000000, 0.0000000000000000 ] - [ 0.0274689500000000, 0.0489128500000000, 0.0000000000000000 ] - [ 0.0032202200000000, 0.0008150400000000, 0.0000000000000000 ] - [ 0.0050654700000000, -0.0002051400000000, 0.0000000000000000 ] - [ 0.0139326800000000, -0.0030250300000000, 0.0000000000000000 ] - [ 0.0143301500000000, 0.0030080300000000, 0.0000000000000000 ] - [ 0.0075011100000000, 0.0002077700000000, 0.0000000000000000 ] - [ -0.0006233500000000, -0.0048993800000000, 0.0000000000000000 ] - [ -0.0009395500000000, 0.0015008700000000, 0.0000000000000000 ] - [ -0.0006879000000000, 0.0049266300000000, 0.0000000000000000 ] - [ -0.0009873800000000, -0.0015650900000000, 0.0000000000000000 ] - [ 0.0000486000000000, -0.0019415400000000, 0.0004872900000000 ] - [ 0.0004421900000000, 0.0023475200000000, 0.0004949700000000 ] - [ 0.0003103100000000, 0.0004904500000000, -0.0001726600000000 ] - [ 0.0007185000000000, -0.0008988900000000, -0.0001727200000000 ] - [ 0.0007185000000000, -0.0008988900000000, 0.0001727200000000 ] - [ 0.0003103100000000, 0.0004904500000000, 0.0001726600000000 ] - [ 0.0004421900000000, 0.0023475200000000, -0.0004949700000000 ] - [ 0.0000486000000000, -0.0019415400000000, -0.0004872900000000 ] - [ 0.0085457500000000, 0.0034927600000000, 0.0000000000000000 ] - [ -0.0007454300000000, 0.0026205100000000, 0.0000000000000000 ] - [ -0.0002943800000000, -0.0001603700000000, 0.0000000000000000 ] - [ 0.0091868700000000, -0.0032709100000000, 0.0000000000000000 ] - [ 0.0030763700000000, -0.0005698700000000, 0.0000000000000000 ] - [ 0.0038217000000000, 0.0004054300000000, 0.0000000000000000 ] - [ -0.0001317500000000, -0.0005881300000000, 0.0000000000000000 ] - [ -0.0009058400000000, -0.0018706700000000, 0.0000000000000000 ] - [ 0.0293905300000000, -0.0005616800000000, 0.0004669800000000 ] - [ -0.0011873700000000, 0.0002485600000000, 0.0004022800000000 ] - [ -0.0011950800000000, -0.0002486500000000, -0.0010918700000000 ] - [ 0.0293905300000000, -0.0005616800000000, -0.0004669800000000 ] - [ 0.0050911400000000, -0.0000070000000000, 0.0003465200000000 ] - [ 0.0050911400000000, -0.0000070000000000, -0.0003465200000000 ] - [ -0.0011873700000000, 0.0002485600000000, -0.0004022800000000 ] - [ -0.0011950800000000, -0.0002486500000000, 0.0010918700000000 ] - [ 0.2022288500000000, -0.1159351800000000, 0.0000000000000000 ] - [ -0.0016952100000000, -0.0007651000000000, 0.0000000000000000 ] - [ 0.1928188900000000, 0.1082135000000000, 0.0000000000000000 ] - [ -0.0019163600000000, 0.0005404400000000, 0.0000000000000000 ] - [ -0.0002440300000000, -0.0010211600000000, 0.0000000000000000 ] - [ 0.0015758400000000, 0.0034245800000000, 0.0000000000000000 ] - [ -0.0002976900000000, 0.0010792000000000, 0.0000000000000000 ] - [ 0.0015160000000000, -0.0034768000000000, 0.0000000000000000 ] - [ -0.0018959500000000, -0.0021584400000000, 0.0015588700000000 ] - [ -0.0014866300000000, 0.0025696100000000, 0.0015595000000000 ] - [ -0.0032476400000000, 0.0022290900000000, -0.0020439300000000 ] - [ -0.0028420500000000, -0.0026434900000000, -0.0020460500000000 ] - [ -0.0028420500000000, -0.0026434900000000, 0.0020460500000000 ] - [ -0.0032476400000000, 0.0022290900000000, 0.0020439300000000 ] - [ -0.0014866300000000, 0.0025696100000000, -0.0015595000000000 ] - [ -0.0018959500000000, -0.0021584400000000, -0.0015588700000000 ] - [ -0.0040925400000000, -0.0011389800000000, 0.0000000000000000 ] - [ -0.0047159100000000, 0.0078754800000000, 0.0000000000000000 ] - [ -0.0043694200000000, 0.0037023500000000, 0.0000000000000000 ] - [ -0.0033444700000000, 0.0013032200000000, 0.0000000000000000 ] - [ -0.0059549500000000, 0.0016588300000000, 0.0000000000000000 ] - [ -0.0052087600000000, -0.0018249300000000, 0.0000000000000000 ] - [ -0.0042070200000000, -0.0044470900000000, 0.0000000000000000 ] - [ -0.0048821300000000, -0.0071210300000000, 0.0000000000000000 ] - [ -0.0011794300000000, 0.0000052700000000, -0.0003455700000000 ] - [ -0.0101700400000000, 0.0068696400000000, 0.0067290000000000 ] - [ -0.0101971800000000, -0.0068556300000000, -0.0074312800000000 ] - [ -0.0011794300000000, 0.0000052700000000, 0.0003455700000000 ] - [ -0.0016436800000000, -0.0000066100000000, 0.0003466100000000 ] - [ -0.0016436800000000, -0.0000066100000000, -0.0003466100000000 ] - [ -0.0101700400000000, 0.0068696400000000, -0.0067290000000000 ] - [ -0.0101971800000000, -0.0068556300000000, 0.0074312800000000 ] - [ -0.0015647200000000, 0.0008955000000000, 0.0000000000000000 ] - [ 0.0154076600000000, 0.0240450400000000, 0.0000000000000000 ] - [ -0.0017858000000000, -0.0006737300000000, 0.0000000000000000 ] - [ 0.0151798600000000, -0.0242669600000000, 0.0000000000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0245500200000000, -0.0007211100000000, 0.0000000000000000 ] - [ -0.0083280000000000, 0.0051512800000000, 0.0000000000000000 ] - [ -0.0018001400000000, 0.0056261900000000, 0.0000000000000000 ] - [ -0.0245500200000000, -0.0007211100000000, 0.0000000000000000 ] - [ -0.0033758300000000, 0.0044558100000000, 0.0000000000000000 ] - [ 0.0033758300000000, 0.0044558100000000, 0.0000000000000000 ] - [ 0.0018001400000000, 0.0056261900000000, 0.0000000000000000 ] - [ 0.0083280000000000, 0.0051512800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.5146892100000000, 0.0000000000000000 ] - [ -0.0021898600000000, 0.0027386800000000, 0.0000000000000000 ] - [ 0.0021898600000000, 0.0027386800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0142249000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0462260700000000, 0.0000000000000000 ] - [ -0.0018260400000000, 0.0067697600000000, 0.0000000000000000 ] - [ 0.0018260400000000, 0.0067697600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0092629800000000, 0.0000000000000000 ] - [ 0.0015197200000000, 0.0034944600000000, 0.0000000000000000 ] - [ -0.0022914500000000, 0.0040817200000000, 0.0000000000000000 ] - [ -0.0053570700000000, -0.0137930400000000, 0.0000000000000000 ] - [ -0.0015197200000000, 0.0034944600000000, 0.0000000000000000 ] - [ -0.0023908500000000, -0.0047345900000000, 0.0000000000000000 ] - [ 0.0023908500000000, -0.0047345900000000, 0.0000000000000000 ] - [ 0.0053570700000000, -0.0137930400000000, 0.0000000000000000 ] - [ 0.0022914500000000, 0.0040817200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0029074000000000, 0.0000000000000000 ] - [ -0.0320077800000000, 0.0267586600000000, 0.0000000000000000 ] - [ 0.0320077800000000, 0.0267586600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018027600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0028879900000000, 0.0000000000000000 ] - [ -0.0138860000000000, -0.0060503400000000, 0.0000000000000000 ] - [ 0.0138860000000000, -0.0060503400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001619200000000, 0.0000000000000000 ] - [ -0.0092266300000000, 0.0082989000000000, 0.0000000000000000 ] - [ 0.0040772000000000, 0.0021243000000000, 0.0000000000000000 ] - [ 0.0092266300000000, 0.0082989000000000, 0.0000000000000000 ] - [ -0.0040772000000000, 0.0021243000000000, 0.0000000000000000 ] - [ -0.0064072900000000, -0.0018815500000000, 0.0028947400000000 ] - [ 0.0064072900000000, -0.0018815500000000, -0.0028947400000000 ] - [ 0.0010290600000000, -0.0025888300000000, 0.0014494100000000 ] - [ -0.0010290600000000, -0.0025888300000000, -0.0014494100000000 ] - [ -0.0010290600000000, -0.0025888300000000, 0.0014494100000000 ] - [ 0.0010290600000000, -0.0025888300000000, -0.0014494100000000 ] - [ 0.0064072900000000, -0.0018815500000000, 0.0028947400000000 ] - [ -0.0064072900000000, -0.0018815500000000, -0.0028947400000000 ] - [ -0.0185864500000000, -0.0117628400000000, 0.0000000000000000 ] - [ 0.0026992900000000, -0.0048461300000000, 0.0000000000000000 ] - [ 0.0007716000000000, -0.0051506700000000, 0.0000000000000000 ] - [ 0.0185864500000000, -0.0117628400000000, 0.0000000000000000 ] - [ 0.0025770900000000, -0.0031679700000000, 0.0000000000000000 ] - [ -0.0025770900000000, -0.0031679700000000, 0.0000000000000000 ] - [ -0.0007716000000000, -0.0051506700000000, 0.0000000000000000 ] - [ -0.0026992900000000, -0.0048461300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.1156535600000000, -0.1314793500000000 ] - [ 0.0007678500000000, -0.0014467500000000, -0.0007853200000000 ] - [ -0.0007678500000000, -0.0014467500000000, -0.0007853200000000 ] - [ 0.0000000000000000, 0.1156535600000000, 0.1314793500000000 ] - [ 0.0000000000000000, -0.0051538200000000, 0.0036295600000000 ] - [ 0.0000000000000000, -0.0051538200000000, -0.0036295600000000 ] - [ 0.0007678500000000, -0.0014467500000000, 0.0007853200000000 ] - [ -0.0007678500000000, -0.0014467500000000, 0.0007853200000000 ] - [ -0.1132379400000000, 0.1126848700000000, 0.0000000000000000 ] - [ 0.0000409600000000, -0.0011137700000000, 0.0000000000000000 ] - [ 0.1132379400000000, 0.1126848700000000, 0.0000000000000000 ] - [ -0.0000409600000000, -0.0011137700000000, 0.0000000000000000 ] - [ 0.0001700700000000, -0.0020737200000000, 0.0000000000000000 ] - [ 0.0009013900000000, -0.0021231800000000, 0.0000000000000000 ] - [ -0.0001700700000000, -0.0020737200000000, 0.0000000000000000 ] - [ -0.0009013900000000, -0.0021231800000000, 0.0000000000000000 ] - [ -0.0014376800000000, -0.0012865900000000, 0.0011459100000000 ] - [ 0.0014376800000000, -0.0012865900000000, -0.0011459100000000 ] - [ 0.0006526700000000, 0.0026615800000000, -0.0004457400000000 ] - [ -0.0006526700000000, 0.0026615800000000, 0.0004457400000000 ] - [ -0.0006526700000000, 0.0026615800000000, -0.0004457400000000 ] - [ 0.0006526700000000, 0.0026615800000000, 0.0004457400000000 ] - [ 0.0014376800000000, -0.0012865900000000, 0.0011459100000000 ] - [ -0.0014376800000000, -0.0012865900000000, -0.0011459100000000 ] - [ -0.0017091700000000, -0.0010722200000000, 0.0000000000000000 ] - [ 0.0035452600000000, -0.0021900700000000, 0.0000000000000000 ] - [ -0.0038554000000000, 0.0095388800000000, 0.0000000000000000 ] - [ 0.0017091700000000, -0.0010722200000000, 0.0000000000000000 ] - [ 0.0003733900000000, 0.0004789000000000, 0.0000000000000000 ] - [ -0.0003733900000000, 0.0004789000000000, 0.0000000000000000 ] - [ 0.0038554000000000, 0.0095388800000000, 0.0000000000000000 ] - [ -0.0035452600000000, -0.0021900700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017384500000000, 0.0007130200000000 ] - [ 0.0098798900000000, -0.0019476600000000, -0.0076934900000000 ] - [ -0.0098798900000000, -0.0019476600000000, -0.0076934900000000 ] - [ 0.0000000000000000, -0.0017384500000000, -0.0007130200000000 ] - [ 0.0000000000000000, -0.0002416700000000, 0.0005428800000000 ] - [ 0.0000000000000000, -0.0002416700000000, -0.0005428800000000 ] - [ 0.0098798900000000, -0.0019476600000000, 0.0076934900000000 ] - [ -0.0098798900000000, -0.0019476600000000, 0.0076934900000000 ] - [ 0.0012827900000000, -0.0019970700000000, 0.0000000000000000 ] - [ 0.0012683400000000, -0.0083381300000000, 0.0000000000000000 ] - [ -0.0012827900000000, -0.0019970700000000, 0.0000000000000000 ] - [ -0.0012683400000000, -0.0083381300000000, 0.0000000000000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0249974000000000, 0.0015771700000000, 0.0000000000000000 ] - [ 0.0091945100000000, -0.0046657100000000, 0.0000000000000000 ] - [ 0.0009221000000000, -0.0061113400000000, 0.0000000000000000 ] - [ 0.0249974000000000, 0.0015771700000000, 0.0000000000000000 ] - [ 0.0029011400000000, -0.0053371800000000, 0.0000000000000000 ] - [ -0.0029011400000000, -0.0053371800000000, 0.0000000000000000 ] - [ -0.0009221000000000, -0.0061113400000000, 0.0000000000000000 ] - [ -0.0091945100000000, -0.0046657100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.5132152000000000, 0.0000000000000000 ] - [ 0.0005614800000000, -0.0027392200000000, 0.0000000000000000 ] - [ -0.0005614800000000, -0.0027392200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0126539500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0466869600000000, 0.0000000000000000 ] - [ 0.0014109800000000, -0.0067687200000000, 0.0000000000000000 ] - [ -0.0014109800000000, -0.0067687200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0088722000000000, 0.0000000000000000 ] - [ -0.0020091600000000, -0.0026035900000000, 0.0000000000000000 ] - [ 0.0031813500000000, -0.0035749600000000, 0.0000000000000000 ] - [ 0.0044794100000000, 0.0132894300000000, 0.0000000000000000 ] - [ 0.0020091600000000, -0.0026035900000000, 0.0000000000000000 ] - [ 0.0019045000000000, 0.0038360900000000, 0.0000000000000000 ] - [ -0.0019045000000000, 0.0038360900000000, 0.0000000000000000 ] - [ -0.0044794100000000, 0.0132894300000000, 0.0000000000000000 ] - [ -0.0031813500000000, -0.0035749600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0045298000000000, 0.0000000000000000 ] - [ 0.0306933500000000, -0.0267206000000000, 0.0000000000000000 ] - [ -0.0306933500000000, -0.0267206000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001843200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0032938700000000, 0.0000000000000000 ] - [ 0.0134567100000000, 0.0060588300000000, 0.0000000000000000 ] - [ -0.0134567100000000, 0.0060588300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002423100000000, 0.0000000000000000 ] - [ 0.0092757700000000, -0.0082212000000000, 0.0000000000000000 ] - [ -0.0040137700000000, -0.0021734000000000, 0.0000000000000000 ] - [ -0.0092757700000000, -0.0082212000000000, 0.0000000000000000 ] - [ 0.0040137700000000, -0.0021734000000000, 0.0000000000000000 ] - [ 0.0059853000000000, 0.0022954100000000, -0.0028963200000000 ] - [ -0.0059853000000000, 0.0022954100000000, 0.0028963200000000 ] - [ -0.0014437700000000, 0.0021775600000000, -0.0014506800000000 ] - [ 0.0014437700000000, 0.0021775600000000, 0.0014506800000000 ] - [ 0.0014437700000000, 0.0021775600000000, -0.0014506800000000 ] - [ -0.0014437700000000, 0.0021775600000000, 0.0014506800000000 ] - [ -0.0059853000000000, 0.0022954100000000, -0.0028963200000000 ] - [ 0.0059853000000000, 0.0022954100000000, 0.0028963200000000 ] - [ 0.0178350300000000, 0.0119757800000000, 0.0000000000000000 ] - [ -0.0025313700000000, 0.0055910200000000, 0.0000000000000000 ] - [ -0.0009384100000000, 0.0044035400000000, 0.0000000000000000 ] - [ -0.0178350300000000, 0.0119757800000000, 0.0000000000000000 ] - [ -0.0033312700000000, 0.0030067800000000, 0.0000000000000000 ] - [ 0.0033312700000000, 0.0030067800000000, 0.0000000000000000 ] - [ 0.0009384100000000, 0.0044035400000000, 0.0000000000000000 ] - [ 0.0025313700000000, 0.0055910200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.1139111400000000, 0.1260497700000000 ] - [ -0.0007560400000000, 0.0014467400000000, 0.0000885600000000 ] - [ 0.0007560400000000, 0.0014467400000000, 0.0000885600000000 ] - [ 0.0000000000000000, -0.1139111400000000, -0.1260497700000000 ] - [ 0.0000000000000000, 0.0051570100000000, -0.0029432700000000 ] - [ 0.0000000000000000, 0.0051570100000000, 0.0029432700000000 ] - [ -0.0007560400000000, 0.0014467400000000, -0.0000885600000000 ] - [ 0.0007560400000000, 0.0014467400000000, -0.0000885600000000 ] - [ 0.1181634100000000, -0.1142328100000000, 0.0000000000000000 ] - [ 0.0001877900000000, 0.0008898600000000, 0.0000000000000000 ] - [ -0.1181634100000000, -0.1142328100000000, 0.0000000000000000 ] - [ -0.0001877900000000, 0.0008898600000000, 0.0000000000000000 ] - [ -0.0001094000000000, 0.0021269600000000, 0.0000000000000000 ] - [ -0.0008519100000000, 0.0020585800000000, 0.0000000000000000 ] - [ 0.0001094000000000, 0.0021269600000000, 0.0000000000000000 ] - [ 0.0008519100000000, 0.0020585800000000, 0.0000000000000000 ] - [ 0.0010271100000000, 0.0016929400000000, -0.0011442500000000 ] - [ -0.0010271100000000, 0.0016929400000000, 0.0011442500000000 ] - [ -0.0010666400000000, -0.0030662000000000, 0.0004424600000000 ] - [ 0.0010666400000000, -0.0030662000000000, -0.0004424600000000 ] - [ 0.0010666400000000, -0.0030662000000000, 0.0004424600000000 ] - [ -0.0010666400000000, -0.0030662000000000, -0.0004424600000000 ] - [ -0.0010271100000000, 0.0016929400000000, -0.0011442500000000 ] - [ 0.0010271100000000, 0.0016929400000000, 0.0011442500000000 ] - [ 0.0009640900000000, 0.0012346000000000, 0.0000000000000000 ] - [ -0.0033695700000000, 0.0029173300000000, 0.0000000000000000 ] - [ 0.0036832800000000, -0.0102787900000000, 0.0000000000000000 ] - [ -0.0009640900000000, 0.0012346000000000, 0.0000000000000000 ] - [ -0.0011204900000000, -0.0006390200000000, 0.0000000000000000 ] - [ 0.0011204900000000, -0.0006390200000000, 0.0000000000000000 ] - [ -0.0036832800000000, -0.0102787900000000, 0.0000000000000000 ] - [ 0.0033695700000000, 0.0029173300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017465300000000, -0.0014080100000000 ] - [ -0.0098540000000000, 0.0019089900000000, 0.0069731000000000 ] - [ 0.0098540000000000, 0.0019089900000000, 0.0069731000000000 ] - [ 0.0000000000000000, 0.0017465300000000, 0.0014080100000000 ] - [ 0.0000000000000000, 0.0002341500000000, 0.0001519200000000 ] - [ 0.0000000000000000, 0.0002341500000000, -0.0001519200000000 ] - [ -0.0098540000000000, 0.0019089900000000, -0.0069731000000000 ] - [ 0.0098540000000000, 0.0019089900000000, -0.0069731000000000 ] - [ -0.0010556900000000, 0.0022216500000000, 0.0000000000000000 ] - [ -0.0010825500000000, 0.0081232900000000, 0.0000000000000000 ] - [ 0.0010556900000000, 0.0022216500000000, 0.0000000000000000 ] - [ 0.0010825500000000, 0.0081232900000000, 0.0000000000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002279800000000, 0.0004443800000000, 0.0011922000000000 ] - [ 0.0004351100000000, 0.0002355600000000, -0.0001199500000000 ] - [ -0.0004364700000000, -0.0002331400000000, 0.0000001300000000 ] - [ 0.0002279800000000, 0.0004443800000000, 0.0011922000000000 ] - [ -0.0002357300000000, -0.0004351100000000, 0.0000001700000000 ] - [ 0.0002357300000000, -0.0004351100000000, 0.0000001700000000 ] - [ 0.0004364700000000, -0.0002331400000000, 0.0000001300000000 ] - [ -0.0004351100000000, 0.0002355600000000, -0.0001199500000000 ] - [ 0.0000000000000000, -0.0103737900000000, -0.4726642200000000 ] - [ -0.0008083400000000, 0.0000010900000000, -0.0000000600000000 ] - [ 0.0008083400000000, 0.0000010900000000, -0.0000000600000000 ] - [ 0.0000000000000000, 0.0008168500000000, -0.0005228700000000 ] - [ 0.0000000000000000, 0.0001466800000000, 0.1128983000000000 ] - [ -0.0002007600000000, 0.0000011700000000, -0.0000009600000000 ] - [ 0.0002007600000000, 0.0000011700000000, -0.0000009600000000 ] - [ 0.0000000000000000, 0.0002016600000000, 0.0000913500000000 ] - [ -0.0002344300000000, 0.0004361700000000, -0.0000041600000000 ] - [ 0.0004350700000000, 0.0002350400000000, 0.0000056600000000 ] - [ -0.0004408300000000, -0.0002382600000000, 0.0001306700000000 ] - [ 0.0002344300000000, 0.0004361700000000, -0.0000041600000000 ] - [ -0.0002346700000000, -0.0004357600000000, -0.0000141400000000 ] - [ 0.0002346700000000, -0.0004357600000000, -0.0000141400000000 ] - [ 0.0004408300000000, -0.0002382600000000, 0.0001306700000000 ] - [ -0.0004350700000000, 0.0002350400000000, 0.0000056600000000 ] - [ 0.0000000000000000, -0.0008081100000000, -0.0000012700000000 ] - [ -0.0008154600000000, -0.0000117600000000, 0.0009899300000000 ] - [ 0.0008154600000000, -0.0000117600000000, 0.0009899300000000 ] - [ 0.0000000000000000, 0.0008086100000000, -0.0000002500000000 ] - [ 0.0000000000000000, -0.0001994900000000, 0.0000006900000000 ] - [ -0.0001988600000000, -0.0000052200000000, -0.0004559600000000 ] - [ 0.0001988600000000, -0.0000052200000000, -0.0004559600000000 ] - [ 0.0000000000000000, 0.0002012700000000, 0.0000005500000000 ] - [ 0.0000157300000000, 0.0000194500000000, -0.0007681100000000 ] - [ 0.0000209700000000, -0.0000209400000000, -0.0000209300000000 ] - [ -0.0000157300000000, 0.0000194500000000, -0.0007681100000000 ] - [ -0.0000209700000000, -0.0000209400000000, -0.0000209300000000 ] - [ 0.0000841900000000, 0.0002664000000000, -0.0002883700000000 ] - [ 0.0005035400000000, 0.0001514400000000, -0.0002893400000000 ] - [ -0.0002100300000000, -0.0002101300000000, 0.0000002700000000 ] - [ 0.0002094200000000, -0.0002103900000000, -0.0000000300000000 ] - [ 0.0002100300000000, -0.0002101300000000, 0.0000002700000000 ] - [ -0.0002094200000000, -0.0002103900000000, -0.0000000300000000 ] - [ -0.0000841900000000, 0.0002664000000000, -0.0002883700000000 ] - [ -0.0005035400000000, 0.0001514400000000, -0.0002893400000000 ] - [ -0.0003584600000000, 0.0000957300000000, -0.0150916600000000 ] - [ 0.0000774900000000, 0.0003837200000000, 0.0000058500000000 ] - [ -0.0000774300000000, -0.0003859700000000, 0.0000002000000000 ] - [ 0.0003584600000000, 0.0000957300000000, -0.0150916600000000 ] - [ -0.0003841300000000, -0.0000777500000000, -0.0000141300000000 ] - [ 0.0003841300000000, -0.0000777500000000, -0.0000141300000000 ] - [ 0.0000774300000000, -0.0003859700000000, 0.0000002000000000 ] - [ -0.0000774900000000, 0.0003837200000000, 0.0000058500000000 ] - [ 0.0000000000000000, -0.1057527800000000, 0.1634375600000000 ] - [ -0.0000119000000000, 0.0000001400000000, -0.0003425100000000 ] - [ 0.0000119000000000, 0.0000001400000000, -0.0003425100000000 ] - [ 0.0000000000000000, 0.1137703500000000, 0.1736287700000000 ] - [ 0.0000000000000000, 0.0000749600000000, 0.0003222700000000 ] - [ 0.0000000000000000, -0.0000547200000000, -0.0003688000000000 ] - [ -0.0000119700000000, -0.0000007000000000, 0.0003428100000000 ] - [ 0.0000119700000000, -0.0000007000000000, 0.0003428100000000 ] - [ -0.0006438900000000, 0.0007121500000000, 0.0235735800000000 ] - [ 0.0001046700000000, -0.0001052900000000, -0.0000001400000000 ] - [ 0.0006438900000000, 0.0007121500000000, 0.0235735800000000 ] - [ -0.0001046700000000, -0.0001052900000000, -0.0000001400000000 ] - [ 0.0000205700000000, 0.0000206300000000, 0.0000012800000000 ] - [ 0.0000215200000000, -0.0000212700000000, 0.0000007400000000 ] - [ -0.0000205700000000, 0.0000206300000000, 0.0000012800000000 ] - [ -0.0000215200000000, -0.0000212700000000, 0.0000007400000000 ] - [ -0.0002120300000000, 0.0002024100000000, 0.0000045500000000 ] - [ 0.0002084200000000, 0.0002172400000000, 0.0000042400000000 ] - [ -0.0002360400000000, -0.0002268400000000, -0.0000276700000000 ] - [ 0.0001821300000000, -0.0001923000000000, -0.0000293300000000 ] - [ 0.0002360400000000, -0.0002268400000000, -0.0000276700000000 ] - [ -0.0001821300000000, -0.0001923000000000, -0.0000293300000000 ] - [ 0.0002120300000000, 0.0002024100000000, 0.0000045500000000 ] - [ -0.0002084200000000, 0.0002172400000000, 0.0000042400000000 ] - [ -0.0003851600000000, 0.0000765200000000, 0.0000032000000000 ] - [ 0.0000783600000000, 0.0003848000000000, 0.0001809600000000 ] - [ -0.0000774200000000, -0.0003821600000000, -0.0000065000000000 ] - [ 0.0003851600000000, 0.0000765200000000, 0.0000032000000000 ] - [ -0.0003848100000000, -0.0000772000000000, -0.0000014900000000 ] - [ 0.0003848100000000, -0.0000772000000000, -0.0000014900000000 ] - [ 0.0000774200000000, -0.0003821600000000, -0.0000065000000000 ] - [ -0.0000783600000000, 0.0003848000000000, 0.0001809600000000 ] - [ 0.0000000000000000, -0.0000117600000000, -0.0003380000000000 ] - [ -0.0015601700000000, 0.0008830900000000, 0.0009067000000000 ] - [ 0.0015601700000000, 0.0008830900000000, 0.0009067000000000 ] - [ 0.0000000000000000, -0.0000127100000000, 0.0003468800000000 ] - [ 0.0000000000000000, 0.0000112600000000, 0.0003381400000000 ] - [ 0.0000000000000000, 0.0000121300000000, -0.0003474500000000 ] - [ 0.0015497700000000, -0.0008910900000000, 0.0016203700000000 ] - [ -0.0015497700000000, -0.0008910900000000, 0.0016203700000000 ] - [ 0.0001044500000000, 0.0001039000000000, 0.0000001600000000 ] - [ 0.0001034600000000, -0.0001249500000000, 0.0001009600000000 ] - [ -0.0001044500000000, 0.0001039000000000, 0.0000001600000000 ] - [ -0.0001034600000000, -0.0001249500000000, 0.0001009600000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0602190800000000, 0.0137920300000000, 0.0000000000000000 ] - [ 0.0143895000000000, -0.0103053000000000, 0.0000000000000000 ] - [ -0.0007080600000000, 0.0031070100000000, 0.0000000000000000 ] - [ 0.0604165800000000, -0.0125160400000000, 0.0000000000000000 ] - [ -0.0029135300000000, 0.0002228100000000, 0.0000000000000000 ] - [ -0.0024196000000000, -0.0011078100000000, 0.0000000000000000 ] - [ 0.0001820800000000, -0.0035923800000000, 0.0000000000000000 ] - [ 0.0135039000000000, 0.0108103000000000, 0.0000000000000000 ] - [ -0.0084146600000000, -0.0008076900000000, 0.0000000000000000 ] - [ 0.0059585200000000, -0.0013200900000000, 0.0000000000000000 ] - [ 0.0075785700000000, 0.0013268100000000, 0.0000000000000000 ] - [ -0.0052522400000000, 0.0008179500000000, 0.0000000000000000 ] - [ -0.5077651600000000, -0.0093457100000000, 0.0000000000000000 ] - [ 0.0052966000000000, -0.0084995100000000, 0.0000000000000000 ] - [ 0.0056999300000000, 0.0085066500000000, 0.0000000000000000 ] - [ -0.0036483300000000, 0.0002062900000000, 0.0000000000000000 ] - [ 0.0024108200000000, 0.0005881600000000, 0.0000000000000000 ] - [ 0.0009642600000000, -0.0023363000000000, 0.0000000000000000 ] - [ 0.0132325300000000, 0.0098612700000000, 0.0000000000000000 ] - [ 0.0028961700000000, 0.0002948100000000, 0.0000000000000000 ] - [ 0.0121199500000000, 0.0006399900000000, 0.0000000000000000 ] - [ 0.0126137400000000, -0.0015044300000000, 0.0000000000000000 ] - [ 0.0141799600000000, -0.0103975700000000, 0.0000000000000000 ] - [ 0.0000849200000000, 0.0028206600000000, 0.0000000000000000 ] - [ 0.0050676000000000, -0.0008112900000000, 0.0000000000000000 ] - [ -0.0068892200000000, -0.0030053600000000, 0.0000000000000000 ] - [ -0.0052211800000000, 0.0030294100000000, 0.0000000000000000 ] - [ 0.0075009400000000, 0.0008173400000000, 0.0000000000000000 ] - [ 0.0034402000000000, -0.0002029600000000, 0.0000000000000000 ] - [ -0.0023042300000000, -0.0072930900000000, 0.0000000000000000 ] - [ -0.0018724000000000, 0.0072668400000000, 0.0000000000000000 ] - [ 0.0132953800000000, 0.0002094800000000, 0.0000000000000000 ] - [ -0.0182248900000000, 0.0108310900000000, 0.0000000000000000 ] - [ -0.0081292100000000, -0.0019790200000000, 0.0000000000000000 ] - [ -0.0181850600000000, -0.0107704400000000, 0.0000000000000000 ] - [ -0.0081729100000000, 0.0019082300000000, 0.0000000000000000 ] - [ -0.0123465400000000, -0.0066793500000000, 0.0086666700000000 ] - [ -0.0119577400000000, 0.0070700600000000, 0.0086818200000000 ] - [ 0.0005040200000000, -0.0010660700000000, 0.0005549300000000 ] - [ 0.0009128200000000, 0.0006546400000000, 0.0005539600000000 ] - [ 0.0009128200000000, 0.0006546400000000, -0.0005539600000000 ] - [ 0.0005040200000000, -0.0010660700000000, -0.0005549300000000 ] - [ -0.0119577400000000, 0.0070700600000000, -0.0086818200000000 ] - [ -0.0123465400000000, -0.0066793500000000, -0.0086666700000000 ] - [ 0.1934796000000000, 0.1164101300000000, 0.0000000000000000 ] - [ -0.0043259400000000, 0.0098940300000000, 0.0000000000000000 ] - [ 0.0000797900000000, -0.0039766100000000, 0.0000000000000000 ] - [ 0.1851532500000000, -0.1085395600000000, 0.0000000000000000 ] - [ 0.0021357100000000, -0.0007607000000000, 0.0000000000000000 ] - [ 0.0028762600000000, 0.0005938000000000, 0.0000000000000000 ] - [ 0.0002432200000000, 0.0032281200000000, 0.0000000000000000 ] - [ -0.0044919500000000, -0.0091555600000000, 0.0000000000000000 ] - [ 0.0320052700000000, 0.0005789900000000, -0.0011673500000000 ] - [ -0.0031541800000000, 0.0015248400000000, 0.0015836300000000 ] - [ -0.0031610700000000, -0.0015267500000000, -0.0022780000000000 ] - [ 0.0320052700000000, 0.0005789900000000, 0.0011673500000000 ] - [ 0.0013033400000000, -0.0000063600000000, 0.0003488200000000 ] - [ 0.0013033400000000, -0.0000063600000000, -0.0003488200000000 ] - [ -0.0031541800000000, 0.0015248400000000, -0.0015836300000000 ] - [ -0.0031610700000000, -0.0015267500000000, 0.0022780000000000 ] - [ 0.0074932600000000, -0.0037580100000000, 0.0000000000000000 ] - [ -0.0041644500000000, -0.0015307900000000, 0.0000000000000000 ] - [ 0.0071940700000000, 0.0039205300000000, 0.0000000000000000 ] - [ -0.0043871100000000, 0.0013002800000000, 0.0000000000000000 ] - [ -0.0009156600000000, 0.0009866900000000, 0.0000000000000000 ] - [ 0.0007228400000000, 0.0005711800000000, 0.0000000000000000 ] - [ -0.0009719600000000, -0.0009264500000000, 0.0000000000000000 ] - [ 0.0006596100000000, -0.0006286100000000, 0.0000000000000000 ] - [ -0.0009136100000000, -0.0003867600000000, 0.0004546400000000 ] - [ -0.0005010600000000, 0.0007983900000000, 0.0004542100000000 ] - [ -0.0053144300000000, -0.0009048000000000, -0.0023811500000000 ] - [ -0.0049157800000000, 0.0004927200000000, -0.0023915200000000 ] - [ -0.0049157800000000, 0.0004927200000000, 0.0023915200000000 ] - [ -0.0053144300000000, -0.0009048000000000, 0.0023811500000000 ] - [ -0.0005010600000000, 0.0007983900000000, -0.0004542100000000 ] - [ -0.0009136100000000, -0.0003867600000000, -0.0004546400000000 ] - [ -0.0027569200000000, -0.0004800300000000, 0.0000000000000000 ] - [ -0.0004592400000000, 0.0033130100000000, 0.0000000000000000 ] - [ -0.0002763000000000, -0.0071881400000000, 0.0000000000000000 ] - [ -0.0020115200000000, 0.0006452200000000, 0.0000000000000000 ] - [ -0.0101556500000000, 0.0019232500000000, 0.0000000000000000 ] - [ -0.0094152000000000, -0.0020950800000000, 0.0000000000000000 ] - [ -0.0001050200000000, 0.0064701200000000, 0.0000000000000000 ] - [ -0.0006297700000000, -0.0025643900000000, 0.0000000000000000 ] - [ -0.0012523000000000, 0.0000043900000000, -0.0003475500000000 ] - [ 0.0020558100000000, 0.0017528000000000, -0.0018831700000000 ] - [ 0.0020293400000000, -0.0017512800000000, 0.0011755800000000 ] - [ -0.0012523000000000, 0.0000043900000000, 0.0003475500000000 ] - [ -0.0032180900000000, -0.0000079000000000, 0.0003498700000000 ] - [ -0.0032180900000000, -0.0000079000000000, -0.0003498700000000 ] - [ 0.0020558100000000, 0.0017528000000000, 0.0018831700000000 ] - [ 0.0020293400000000, -0.0017512800000000, -0.0011755800000000 ] - [ -0.0035124300000000, 0.0022274100000000, 0.0000000000000000 ] - [ 0.0037114400000000, 0.0021169300000000, 0.0000000000000000 ] - [ -0.0037367700000000, -0.0020057700000000, 0.0000000000000000 ] - [ 0.0034847000000000, -0.0023482300000000, 0.0000000000000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0316400100000000, -0.0053080700000000, 0.0000000000000000 ] - [ -0.0077261700000000, 0.0023880000000000, 0.0000000000000000 ] - [ -0.0010790600000000, 0.0048138100000000, 0.0000000000000000 ] - [ -0.0316400100000000, -0.0053080700000000, 0.0000000000000000 ] - [ -0.0022544800000000, 0.0039525300000000, 0.0000000000000000 ] - [ 0.0022544800000000, 0.0039525300000000, 0.0000000000000000 ] - [ 0.0010790600000000, 0.0048138100000000, 0.0000000000000000 ] - [ 0.0077261700000000, 0.0023880000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0456985100000000, 0.0000000000000000 ] - [ -0.0024168400000000, 0.0018999100000000, 0.0000000000000000 ] - [ 0.0024168400000000, 0.0018999100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0098642600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.4835704600000000, 0.0000000000000000 ] - [ -0.0021832200000000, 0.0054940600000000, 0.0000000000000000 ] - [ 0.0021832200000000, 0.0054940600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0074318500000000, 0.0000000000000000 ] - [ 0.0010482700000000, 0.0033282500000000, 0.0000000000000000 ] - [ -0.0014714600000000, 0.0041756500000000, 0.0000000000000000 ] - [ -0.0009186000000000, -0.0101315700000000, 0.0000000000000000 ] - [ -0.0010482700000000, 0.0033282500000000, 0.0000000000000000 ] - [ -0.0013791700000000, -0.0057386900000000, 0.0000000000000000 ] - [ 0.0013791700000000, -0.0057386900000000, 0.0000000000000000 ] - [ 0.0009186000000000, -0.0101315700000000, 0.0000000000000000 ] - [ 0.0014714600000000, 0.0041756500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022924500000000, 0.0000000000000000 ] - [ -0.0144618200000000, 0.0141282000000000, 0.0000000000000000 ] - [ 0.0144618200000000, 0.0141282000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007534600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024698800000000, 0.0000000000000000 ] - [ -0.0115380400000000, -0.0020839300000000, 0.0000000000000000 ] - [ 0.0115380400000000, -0.0020839300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006493100000000, 0.0000000000000000 ] - [ -0.0095906300000000, 0.0133070100000000, 0.0000000000000000 ] - [ 0.0042587900000000, 0.0029115400000000, 0.0000000000000000 ] - [ 0.0095906300000000, 0.0133070100000000, 0.0000000000000000 ] - [ -0.0042587900000000, 0.0029115400000000, 0.0000000000000000 ] - [ -0.0081977800000000, -0.0015427000000000, 0.0043429200000000 ] - [ 0.0081977800000000, -0.0015427000000000, -0.0043429200000000 ] - [ 0.0006158800000000, -0.0022683000000000, 0.0011607000000000 ] - [ -0.0006158800000000, -0.0022683000000000, -0.0011607000000000 ] - [ -0.0006158800000000, -0.0022683000000000, 0.0011607000000000 ] - [ 0.0006158800000000, -0.0022683000000000, -0.0011607000000000 ] - [ 0.0081977800000000, -0.0015427000000000, 0.0043429200000000 ] - [ -0.0081977800000000, -0.0015427000000000, -0.0043429200000000 ] - [ 0.1141344500000000, 0.1148432600000000, 0.0000000000000000 ] - [ 0.0026604000000000, -0.0037876100000000, 0.0000000000000000 ] - [ 0.0003676800000000, -0.0043210300000000, 0.0000000000000000 ] - [ -0.1141344500000000, 0.1148432600000000, 0.0000000000000000 ] - [ 0.0017479800000000, -0.0026133000000000, 0.0000000000000000 ] - [ -0.0017479800000000, -0.0026133000000000, 0.0000000000000000 ] - [ -0.0003676800000000, -0.0043210300000000, 0.0000000000000000 ] - [ -0.0026604000000000, -0.0037876100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.1121194600000000, -0.1254136500000000 ] - [ 0.0008961300000000, -0.0011207300000000, -0.0008591900000000 ] - [ -0.0008961300000000, -0.0011207300000000, -0.0008591900000000 ] - [ 0.0000000000000000, 0.1121194600000000, 0.1254136500000000 ] - [ 0.0000000000000000, -0.0039657900000000, 0.0027741000000000 ] - [ 0.0000000000000000, -0.0039657900000000, -0.0027741000000000 ] - [ 0.0008961300000000, -0.0011207300000000, 0.0008591900000000 ] - [ -0.0008961300000000, -0.0011207300000000, 0.0008591900000000 ] - [ 0.0138780900000000, -0.0174586000000000, 0.0000000000000000 ] - [ 0.0003404000000000, -0.0005119500000000, 0.0000000000000000 ] - [ -0.0138780900000000, -0.0174586000000000, 0.0000000000000000 ] - [ -0.0003404000000000, -0.0005119500000000, 0.0000000000000000 ] - [ 0.0004143500000000, -0.0019558800000000, 0.0000000000000000 ] - [ 0.0003366600000000, -0.0021407300000000, 0.0000000000000000 ] - [ -0.0004143500000000, -0.0019558800000000, 0.0000000000000000 ] - [ -0.0003366600000000, -0.0021407300000000, 0.0000000000000000 ] - [ -0.0011651000000000, -0.0012243600000000, 0.0009958600000000 ] - [ 0.0011651000000000, -0.0012243600000000, -0.0009958600000000 ] - [ -0.0002380000000000, 0.0024721100000000, -0.0008271500000000 ] - [ 0.0002380000000000, 0.0024721100000000, 0.0008271500000000 ] - [ 0.0002380000000000, 0.0024721100000000, -0.0008271500000000 ] - [ -0.0002380000000000, 0.0024721100000000, 0.0008271500000000 ] - [ 0.0011651000000000, -0.0012243600000000, 0.0009958600000000 ] - [ -0.0011651000000000, -0.0012243600000000, -0.0009958600000000 ] - [ -0.0014434200000000, -0.0009566400000000, 0.0000000000000000 ] - [ 0.0028303100000000, -0.0024168600000000, 0.0000000000000000 ] - [ -0.0033341200000000, 0.0066369300000000, 0.0000000000000000 ] - [ 0.0014434200000000, -0.0009566400000000, 0.0000000000000000 ] - [ -0.0001252900000000, 0.0007957600000000, 0.0000000000000000 ] - [ 0.0001252900000000, 0.0007957600000000, 0.0000000000000000 ] - [ 0.0033341200000000, 0.0066369300000000, 0.0000000000000000 ] - [ -0.0028303100000000, -0.0024168600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014833100000000, 0.0005476000000000 ] - [ 0.0063894300000000, -0.0016311200000000, -0.0040779500000000 ] - [ -0.0063894300000000, -0.0016311200000000, -0.0040779500000000 ] - [ 0.0000000000000000, -0.0014833100000000, -0.0005476000000000 ] - [ 0.0000000000000000, 0.0002516100000000, 0.0002435200000000 ] - [ 0.0000000000000000, 0.0002516100000000, -0.0002435200000000 ] - [ 0.0063894300000000, -0.0016311200000000, 0.0040779500000000 ] - [ -0.0063894300000000, -0.0016311200000000, 0.0040779500000000 ] - [ 0.0011497200000000, -0.0015846800000000, 0.0000000000000000 ] - [ -0.0002694000000000, -0.0061024400000000, 0.0000000000000000 ] - [ -0.0011497200000000, -0.0015846800000000, 0.0000000000000000 ] - [ 0.0002694000000000, -0.0061024400000000, 0.0000000000000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0319838700000000, 0.0061326100000000, 0.0000000000000000 ] - [ 0.0086069600000000, -0.0019373700000000, 0.0000000000000000 ] - [ 0.0002043400000000, -0.0052856000000000, 0.0000000000000000 ] - [ 0.0319838700000000, 0.0061326100000000, 0.0000000000000000 ] - [ 0.0017874700000000, -0.0048303800000000, 0.0000000000000000 ] - [ -0.0017874700000000, -0.0048303800000000, 0.0000000000000000 ] - [ -0.0002043400000000, -0.0052856000000000, 0.0000000000000000 ] - [ -0.0086069600000000, -0.0019373700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0472270900000000, 0.0000000000000000 ] - [ 0.0008040700000000, -0.0019044900000000, 0.0000000000000000 ] - [ -0.0008040700000000, -0.0019044900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0082542800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.4833931500000000, 0.0000000000000000 ] - [ 0.0017832100000000, -0.0055033500000000, 0.0000000000000000 ] - [ -0.0017832100000000, -0.0055033500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0070363700000000, 0.0000000000000000 ] - [ -0.0015226300000000, -0.0024471200000000, 0.0000000000000000 ] - [ 0.0023547400000000, -0.0037005100000000, 0.0000000000000000 ] - [ 0.0000469900000000, 0.0096723300000000, 0.0000000000000000 ] - [ 0.0015226300000000, -0.0024471200000000, 0.0000000000000000 ] - [ 0.0009136800000000, 0.0048560900000000, 0.0000000000000000 ] - [ -0.0009136800000000, 0.0048560900000000, 0.0000000000000000 ] - [ -0.0000469900000000, 0.0096723300000000, 0.0000000000000000 ] - [ -0.0023547400000000, -0.0037005100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0039055400000000, 0.0000000000000000 ] - [ 0.0128654400000000, -0.0141342700000000, 0.0000000000000000 ] - [ -0.0128654400000000, -0.0141342700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008493700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028660600000000, 0.0000000000000000 ] - [ 0.0111580200000000, 0.0020940600000000, 0.0000000000000000 ] - [ -0.0111580200000000, 0.0020940600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010403700000000, 0.0000000000000000 ] - [ 0.0096590600000000, -0.0132788300000000, 0.0000000000000000 ] - [ -0.0042109600000000, -0.0029624300000000, 0.0000000000000000 ] - [ -0.0096590600000000, -0.0132788300000000, 0.0000000000000000 ] - [ 0.0042109600000000, -0.0029624300000000, 0.0000000000000000 ] - [ 0.0078036000000000, 0.0019918100000000, -0.0043660300000000 ] - [ -0.0078036000000000, 0.0019918100000000, 0.0043660300000000 ] - [ -0.0010336900000000, 0.0018520500000000, -0.0011615300000000 ] - [ 0.0010336900000000, 0.0018520500000000, 0.0011615300000000 ] - [ 0.0010336900000000, 0.0018520500000000, -0.0011615300000000 ] - [ -0.0010336900000000, 0.0018520500000000, 0.0011615300000000 ] - [ -0.0078036000000000, 0.0019918100000000, -0.0043660300000000 ] - [ 0.0078036000000000, 0.0019918100000000, 0.0043660300000000 ] - [ -0.1103208500000000, -0.1129881300000000, 0.0000000000000000 ] - [ -0.0024975900000000, 0.0045606400000000, 0.0000000000000000 ] - [ -0.0005341000000000, 0.0035655900000000, 0.0000000000000000 ] - [ 0.1103208500000000, -0.1129881300000000, 0.0000000000000000 ] - [ -0.0025083500000000, 0.0024496100000000, 0.0000000000000000 ] - [ 0.0025083500000000, 0.0024496100000000, 0.0000000000000000 ] - [ 0.0005341000000000, 0.0035655900000000, 0.0000000000000000 ] - [ 0.0024975900000000, 0.0045606400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.1138851300000000, 0.1294326700000000 ] - [ -0.0009003000000000, 0.0011226200000000, 0.0001670000000000 ] - [ 0.0009003000000000, 0.0011226200000000, 0.0001670000000000 ] - [ 0.0000000000000000, -0.1138851300000000, -0.1294326700000000 ] - [ 0.0000000000000000, 0.0039713000000000, -0.0020821900000000 ] - [ 0.0000000000000000, 0.0039713000000000, 0.0020821900000000 ] - [ -0.0009003000000000, 0.0011226200000000, -0.0001670000000000 ] - [ 0.0009003000000000, 0.0011226200000000, -0.0001670000000000 ] - [ -0.0136355200000000, 0.0176384800000000, 0.0000000000000000 ] - [ -0.0001142100000000, 0.0002912900000000, 0.0000000000000000 ] - [ 0.0136355200000000, 0.0176384800000000, 0.0000000000000000 ] - [ 0.0001142100000000, 0.0002912900000000, 0.0000000000000000 ] - [ -0.0003597200000000, 0.0020072300000000, 0.0000000000000000 ] - [ -0.0002867200000000, 0.0020859000000000, 0.0000000000000000 ] - [ 0.0003597200000000, 0.0020072300000000, 0.0000000000000000 ] - [ 0.0002867200000000, 0.0020859000000000, 0.0000000000000000 ] - [ 0.0007502700000000, 0.0016392200000000, -0.0009960000000000 ] - [ -0.0007502700000000, 0.0016392200000000, 0.0009960000000000 ] - [ -0.0001825400000000, -0.0028887900000000, 0.0008252000000000 ] - [ 0.0001825400000000, -0.0028887900000000, -0.0008252000000000 ] - [ 0.0001825400000000, -0.0028887900000000, 0.0008252000000000 ] - [ -0.0001825400000000, -0.0028887900000000, -0.0008252000000000 ] - [ -0.0007502700000000, 0.0016392200000000, -0.0009960000000000 ] - [ 0.0007502700000000, 0.0016392200000000, 0.0009960000000000 ] - [ 0.0006863500000000, 0.0011181400000000, 0.0000000000000000 ] - [ -0.0026685700000000, 0.0031712900000000, 0.0000000000000000 ] - [ 0.0031731300000000, -0.0074093500000000, 0.0000000000000000 ] - [ -0.0006863500000000, 0.0011181400000000, 0.0000000000000000 ] - [ -0.0006367400000000, -0.0009557300000000, 0.0000000000000000 ] - [ 0.0006367400000000, -0.0009557300000000, 0.0000000000000000 ] - [ -0.0031731300000000, -0.0074093500000000, 0.0000000000000000 ] - [ 0.0026685700000000, 0.0031712900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014785600000000, -0.0012397600000000 ] - [ -0.0064007200000000, 0.0016294600000000, 0.0033866300000000 ] - [ 0.0064007200000000, 0.0016294600000000, 0.0033866300000000 ] - [ 0.0000000000000000, 0.0014785600000000, 0.0012397600000000 ] - [ 0.0000000000000000, -0.0002433000000000, 0.0004463100000000 ] - [ 0.0000000000000000, -0.0002433000000000, -0.0004463100000000 ] - [ -0.0064007200000000, 0.0016294600000000, -0.0033866300000000 ] - [ 0.0064007200000000, 0.0016294600000000, -0.0033866300000000 ] - [ -0.0009266500000000, 0.0018098100000000, 0.0000000000000000 ] - [ 0.0004888400000000, 0.0058735500000000, 0.0000000000000000 ] - [ 0.0009266500000000, 0.0018098100000000, 0.0000000000000000 ] - [ -0.0004888400000000, 0.0058735500000000, 0.0000000000000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002228500000000, 0.0004102300000000, -0.0002467200000000 ] - [ 0.0004304400000000, 0.0002377700000000, -0.0003205200000000 ] - [ -0.0004361900000000, -0.0002366300000000, 0.0000010400000000 ] - [ 0.0002228500000000, 0.0004102300000000, -0.0002467200000000 ] - [ -0.0002375600000000, -0.0004356600000000, -0.0000009800000000 ] - [ 0.0002375600000000, -0.0004356600000000, -0.0000009800000000 ] - [ 0.0004361900000000, -0.0002366300000000, 0.0000010400000000 ] - [ -0.0004304400000000, 0.0002377700000000, -0.0003205200000000 ] - [ 0.0000000000000000, -0.0011634600000000, 0.1128987000000000 ] - [ -0.0008123700000000, 0.0000001900000000, -0.0000001800000000 ] - [ 0.0008123700000000, 0.0000001900000000, -0.0000001800000000 ] - [ 0.0000000000000000, 0.0008136500000000, 0.0000925600000000 ] - [ 0.0000000000000000, 0.0091373900000000, -0.4619046000000000 ] - [ -0.0002051600000000, 0.0000000900000000, 0.0000088300000000 ] - [ 0.0002051600000000, 0.0000000900000000, 0.0000088300000000 ] - [ 0.0000000000000000, 0.0002044900000000, -0.0000256400000000 ] - [ -0.0002381500000000, 0.0004372700000000, 0.0000007700000000 ] - [ 0.0004366300000000, 0.0002391400000000, -0.0000029400000000 ] - [ -0.0004326900000000, -0.0002358500000000, -0.0001278100000000 ] - [ 0.0002381500000000, 0.0004372700000000, 0.0000007700000000 ] - [ -0.0002376600000000, -0.0004391600000000, 0.0000177700000000 ] - [ 0.0002376600000000, -0.0004391600000000, 0.0000177700000000 ] - [ 0.0004326900000000, -0.0002358500000000, -0.0001278100000000 ] - [ -0.0004366300000000, 0.0002391400000000, -0.0000029400000000 ] - [ 0.0000000000000000, -0.0008120100000000, -0.0000006900000000 ] - [ -0.0008062100000000, -0.0000074900000000, -0.0004563400000000 ] - [ 0.0008062100000000, -0.0000074900000000, -0.0004563400000000 ] - [ 0.0000000000000000, 0.0008102700000000, -0.0000008400000000 ] - [ 0.0000000000000000, -0.0002029200000000, 0.0000000000000000 ] - [ -0.0002030400000000, 0.0000013500000000, -0.0000245500000000 ] - [ 0.0002030400000000, 0.0000013500000000, -0.0000245500000000 ] - [ 0.0000000000000000, 0.0002028700000000, 0.0000007400000000 ] - [ 0.0000411700000000, 0.0000128800000000, 0.0005632700000000 ] - [ 0.0000220600000000, -0.0000202200000000, 0.0001451000000000 ] - [ -0.0000411700000000, 0.0000128800000000, 0.0005632700000000 ] - [ -0.0000220600000000, -0.0000202200000000, 0.0001451000000000 ] - [ -0.0017398300000000, -0.0004800200000000, 0.0011844700000000 ] - [ -0.0013311500000000, 0.0009075900000000, 0.0012086700000000 ] - [ -0.0002093700000000, -0.0002092800000000, 0.0000002400000000 ] - [ 0.0002087600000000, -0.0002090600000000, 0.0000002300000000 ] - [ 0.0002093700000000, -0.0002092800000000, 0.0000002400000000 ] - [ -0.0002087600000000, -0.0002090600000000, 0.0000002300000000 ] - [ 0.0017398300000000, -0.0004800200000000, 0.0011844700000000 ] - [ 0.0013311500000000, 0.0009075900000000, 0.0012086700000000 ] - [ -0.0011659500000000, -0.0004353700000000, 0.0242739600000000 ] - [ 0.0000784800000000, 0.0003828100000000, 0.0000796000000000 ] - [ -0.0000785500000000, -0.0003828100000000, -0.0000027500000000 ] - [ 0.0011659500000000, -0.0004353700000000, 0.0242739600000000 ] - [ -0.0003823400000000, -0.0000780900000000, 0.0000006700000000 ] - [ 0.0003823400000000, -0.0000780900000000, 0.0000006700000000 ] - [ 0.0000785500000000, -0.0003828100000000, -0.0000027500000000 ] - [ -0.0000784800000000, 0.0003828100000000, 0.0000796000000000 ] - [ 0.0000000000000000, -0.1102286200000000, 0.1673805700000000 ] - [ -0.0000116900000000, 0.0000003400000000, -0.0003420900000000 ] - [ 0.0000116900000000, 0.0000003400000000, -0.0003420900000000 ] - [ 0.0000000000000000, 0.1023406100000000, 0.1587450000000000 ] - [ 0.0000000000000000, -0.0000110200000000, 0.0003499700000000 ] - [ 0.0000000000000000, 0.0000286500000000, -0.0003371100000000 ] - [ -0.0000063600000000, -0.0000004500000000, 0.0003448900000000 ] - [ 0.0000063600000000, -0.0000004500000000, 0.0003448900000000 ] - [ 0.0001297700000000, 0.0000902200000000, -0.0144344700000000 ] - [ 0.0001055200000000, -0.0001045800000000, -0.0000000600000000 ] - [ -0.0001297700000000, 0.0000902200000000, -0.0144344700000000 ] - [ -0.0001055200000000, -0.0001045800000000, -0.0000000600000000 ] - [ 0.0000217800000000, 0.0000211300000000, 0.0000000500000000 ] - [ 0.0000215500000000, -0.0000226700000000, 0.0000003600000000 ] - [ -0.0000217800000000, 0.0000211300000000, 0.0000000500000000 ] - [ -0.0000215500000000, -0.0000226700000000, 0.0000003600000000 ] - [ -0.0002082100000000, 0.0002098000000000, -0.0000010700000000 ] - [ 0.0002096500000000, 0.0002071600000000, -0.0000013900000000 ] - [ -0.0001853400000000, -0.0001920600000000, 0.0000262300000000 ] - [ 0.0002353900000000, -0.0002247600000000, 0.0000294300000000 ] - [ 0.0001853400000000, -0.0001920600000000, 0.0000262300000000 ] - [ -0.0002353900000000, -0.0002247600000000, 0.0000294300000000 ] - [ 0.0002082100000000, 0.0002098000000000, -0.0000010700000000 ] - [ -0.0002096500000000, 0.0002071600000000, -0.0000013900000000 ] - [ -0.0003821800000000, 0.0000771100000000, 0.0000026400000000 ] - [ 0.0000781000000000, 0.0003811500000000, -0.0000327200000000 ] - [ -0.0000780500000000, -0.0003840700000000, 0.0000485900000000 ] - [ 0.0003821800000000, 0.0000771100000000, 0.0000026400000000 ] - [ -0.0003829200000000, -0.0000769400000000, -0.0000069100000000 ] - [ 0.0003829200000000, -0.0000769400000000, -0.0000069100000000 ] - [ 0.0000780500000000, -0.0003840700000000, 0.0000485900000000 ] - [ -0.0000781000000000, 0.0003811500000000, -0.0000327200000000 ] - [ 0.0000000000000000, -0.0000090000000000, -0.0003386500000000 ] - [ 0.0003915700000000, -0.0001013500000000, -0.0006545300000000 ] - [ -0.0003915700000000, -0.0001013500000000, -0.0006545300000000 ] - [ 0.0000000000000000, -0.0000100000000000, 0.0003476700000000 ] - [ 0.0000000000000000, 0.0000093100000000, 0.0003385800000000 ] - [ 0.0000000000000000, 0.0000104300000000, -0.0003474400000000 ] - [ -0.0004100600000000, 0.0001003600000000, 0.0000320700000000 ] - [ 0.0004100600000000, 0.0001003600000000, 0.0000320700000000 ] - [ 0.0001045300000000, 0.0001042400000000, 0.0000003300000000 ] - [ 0.0001030500000000, -0.0001046500000000, 0.0000874200000000 ] - [ -0.0001045300000000, 0.0001042400000000, 0.0000003300000000 ] - [ -0.0001030500000000, -0.0001046500000000, 0.0000874200000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0715932800000000, -0.0718039300000000, 0.0000000000000000 ] - [ -0.0035736200000000, 0.0012919900000000, 0.0000000000000000 ] - [ 0.0005465000000000, 0.0011338700000000, 0.0000000000000000 ] - [ -0.0069547800000000, 0.0008109900000000, 0.0000000000000000 ] - [ 0.0011852800000000, 0.0009245700000000, 0.0000000000000000 ] - [ -0.0000167800000000, -0.0003271400000000, 0.0000000000000000 ] - [ -0.0002972600000000, 0.0000876100000000, 0.0000000000000000 ] - [ 0.0183547300000000, -0.0007769500000000, 0.0000000000000000 ] - [ -0.0006589800000000, -0.0100754100000000, 0.0000000000000000 ] - [ -0.0029190000000000, -0.0010526300000000, 0.0000000000000000 ] - [ 0.0029858900000000, -0.0015350500000000, 0.0000000000000000 ] - [ 0.0015488700000000, -0.0000552500000000, 0.0000000000000000 ] - [ -0.0182127300000000, -0.0098376000000000, 0.0000000000000000 ] - [ -0.0021943100000000, 0.0009557500000000, 0.0000000000000000 ] - [ 0.0031685200000000, 0.0019724700000000, 0.0000000000000000 ] - [ 0.0006900700000000, -0.0000969600000000, 0.0000000000000000 ] - [ -0.0014358700000000, 0.0005182600000000, 0.0000000000000000 ] - [ 0.0013091700000000, 0.0036861500000000, 0.0000000000000000 ] - [ -0.0044963400000000, -0.0006818300000000, 0.0000000000000000 ] - [ 0.0001207000000000, 0.0022032000000000, 0.0000000000000000 ] - [ -0.0054677400000000, -0.0006555500000000, 0.0000000000000000 ] - [ -0.0041123100000000, -0.0262396600000000, 0.0000000000000000 ] - [ 0.2122433400000000, -0.0782902800000000, 0.0000000000000000 ] - [ -0.0014087700000000, -0.0003675600000000, 0.0000000000000000 ] - [ -0.0002632700000000, -0.0006737900000000, 0.0000000000000000 ] - [ 0.0074537600000000, -0.0049215500000000, 0.0000000000000000 ] - [ -0.0012761400000000, -0.0034521300000000, 0.0000000000000000 ] - [ -0.0009569600000000, -0.0032447300000000, 0.0000000000000000 ] - [ -0.0009431300000000, 0.0001806000000000, 0.0000000000000000 ] - [ 0.0131120300000000, 0.0108256600000000, 0.0000000000000000 ] - [ -0.0019047600000000, -0.0005985500000000, 0.0000000000000000 ] - [ -0.0081693100000000, -0.0040409600000000, 0.0000000000000000 ] - [ -0.3309418300000000, 0.2100126800000000, 0.0000000000000000 ] - [ 0.0026563600000000, 0.0010063600000000, 0.0000000000000000 ] - [ 0.0032217500000000, 0.0015448000000000, 0.0000000000000000 ] - [ -0.0095352400000000, 0.0109145900000000, 0.0000000000000000 ] - [ -0.0119885800000000, -0.0080899300000000, 0.0076546100000000 ] - [ 0.0024469500000000, -0.0005837400000000, -0.0012527600000000 ] - [ -0.0005634200000000, -0.0007027700000000, 0.0000805500000000 ] - [ 0.0004169600000000, -0.0002702400000000, 0.0000751000000000 ] - [ 0.0004169600000000, -0.0002702400000000, -0.0000751000000000 ] - [ -0.0005634200000000, -0.0007027700000000, -0.0000805500000000 ] - [ 0.0024469500000000, -0.0005837400000000, 0.0012527600000000 ] - [ -0.0119885800000000, -0.0080899300000000, -0.0076546100000000 ] - [ 0.0260631400000000, -0.0131636200000000, 0.0000000000000000 ] - [ 0.0012977000000000, -0.0009154700000000, 0.0000000000000000 ] - [ -0.0005372600000000, -0.0013574800000000, 0.0000000000000000 ] - [ 0.0082651100000000, -0.0006447400000000, 0.0000000000000000 ] - [ -0.0012465500000000, -0.0001109100000000, 0.0000000000000000 ] - [ 0.0003282800000000, -0.0001484800000000, 0.0000000000000000 ] - [ 0.0005363000000000, -0.0005707200000000, 0.0000000000000000 ] - [ -0.0037609400000000, -0.0025922100000000, 0.0000000000000000 ] - [ 0.0025537600000000, 0.0041101400000000, -0.0034151500000000 ] - [ 0.0010437400000000, 0.0000000400000000, -0.0009665800000000 ] - [ -0.0013654200000000, -0.0000475700000000, -0.0011338800000000 ] - [ 0.0025537600000000, 0.0041101400000000, 0.0034151500000000 ] - [ -0.0003318800000000, 0.0002633000000000, 0.0001585900000000 ] - [ -0.0003318800000000, 0.0002633000000000, -0.0001585900000000 ] - [ 0.0010437400000000, 0.0000000400000000, 0.0009665800000000 ] - [ -0.0013654200000000, -0.0000475700000000, 0.0011338800000000 ] - [ -0.0038582000000000, 0.0059541700000000, 0.0000000000000000 ] - [ 0.0017660500000000, 0.0016609000000000, 0.0000000000000000 ] - [ 0.0023835500000000, 0.0038922000000000, 0.0000000000000000 ] - [ -0.0011893000000000, 0.0017889900000000, 0.0000000000000000 ] - [ 0.0005817700000000, -0.0002442200000000, 0.0000000000000000 ] - [ -0.0013152900000000, -0.0015492800000000, 0.0000000000000000 ] - [ -0.0007483700000000, -0.0010101100000000, 0.0000000000000000 ] - [ 0.0002914400000000, -0.0000105300000000, 0.0000000000000000 ] - [ 0.0002705800000000, 0.0003516300000000, -0.0002422600000000 ] - [ 0.0002648800000000, -0.0008136800000000, -0.0004298700000000 ] - [ 0.0016595800000000, -0.0004819700000000, 0.0009051100000000 ] - [ 0.0207698400000000, 0.0018354500000000, 0.0180436500000000 ] - [ 0.0207698400000000, 0.0018354500000000, -0.0180436500000000 ] - [ 0.0016595800000000, -0.0004819700000000, -0.0009051100000000 ] - [ 0.0002648800000000, -0.0008136800000000, 0.0004298700000000 ] - [ 0.0002705800000000, 0.0003516300000000, 0.0002422600000000 ] - [ 0.0004526600000000, 0.0001006100000000, 0.0000000000000000 ] - [ -0.0008725300000000, -0.0037551000000000, 0.0000000000000000 ] - [ 0.0009549900000000, -0.0004553400000000, 0.0000000000000000 ] - [ 0.0009076400000000, -0.0004424100000000, 0.0000000000000000 ] - [ 0.0041632600000000, -0.0004491700000000, 0.0000000000000000 ] - [ 0.0094308000000000, 0.0059439700000000, 0.0000000000000000 ] - [ -0.0020139600000000, -0.0202110200000000, 0.0000000000000000 ] - [ 0.0007009400000000, 0.0011464400000000, 0.0000000000000000 ] - [ 0.0001831400000000, -0.0001401900000000, -0.0002777200000000 ] - [ -0.0051560200000000, -0.0003491400000000, 0.0027090600000000 ] - [ 0.0010798400000000, 0.0005804200000000, 0.0002842700000000 ] - [ 0.0001831400000000, -0.0001401900000000, 0.0002777200000000 ] - [ 0.0013994100000000, 0.0022325100000000, -0.0010044700000000 ] - [ 0.0013994100000000, 0.0022325100000000, 0.0010044700000000 ] - [ -0.0051560200000000, -0.0003491400000000, -0.0027090600000000 ] - [ 0.0010798400000000, 0.0005804200000000, -0.0002842700000000 ] - [ 0.0005564000000000, 0.0001647000000000, 0.0000000000000000 ] - [ -0.0017391000000000, 0.0002000500000000, 0.0000000000000000 ] - [ -0.0003664900000000, 0.0002837400000000, 0.0000000000000000 ] - [ -0.0008498600000000, 0.0013644100000000, 0.0000000000000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0722132400000000, 0.0748722000000000, 0.0000000000000000 ] - [ 0.0044354300000000, -0.0008141800000000, 0.0000000000000000 ] - [ -0.0014156700000000, -0.0015882700000000, 0.0000000000000000 ] - [ 0.0074225700000000, 0.0000584800000000, 0.0000000000000000 ] - [ -0.0016689500000000, -0.0017793100000000, 0.0000000000000000 ] - [ 0.0004959700000000, -0.0005420700000000, 0.0000000000000000 ] - [ 0.0011674500000000, -0.0005679700000000, 0.0000000000000000 ] - [ -0.0189589800000000, 0.0013011100000000, 0.0000000000000000 ] - [ 0.0006527000000000, 0.0084300700000000, 0.0000000000000000 ] - [ 0.0012833800000000, 0.0010469200000000, 0.0000000000000000 ] - [ -0.0013163200000000, 0.0015295500000000, 0.0000000000000000 ] - [ -0.0015426600000000, 0.0016958600000000, 0.0000000000000000 ] - [ 0.0181991200000000, 0.0094133600000000, 0.0000000000000000 ] - [ 0.0017687100000000, -0.0009574400000000, 0.0000000000000000 ] - [ -0.0027063900000000, -0.0019164000000000, 0.0000000000000000 ] - [ -0.0006922500000000, 0.0005246000000000, 0.0000000000000000 ] - [ 0.0009516600000000, 0.0003596500000000, 0.0000000000000000 ] - [ -0.0004319700000000, -0.0031771500000000, 0.0000000000000000 ] - [ 0.0036106100000000, 0.0001996200000000, 0.0000000000000000 ] - [ 0.0003658800000000, -0.0013124900000000, 0.0000000000000000 ] - [ 0.0049660100000000, -0.0002214100000000, 0.0000000000000000 ] - [ 0.0046012100000000, 0.0251125000000000, 0.0000000000000000 ] - [ -0.1998589600000000, 0.0714633400000000, 0.0000000000000000 ] - [ 0.0005326000000000, 0.0008546900000000, 0.0000000000000000 ] - [ 0.0002770800000000, -0.0009519900000000, 0.0000000000000000 ] - [ -0.0090621100000000, 0.0049046200000000, 0.0000000000000000 ] - [ 0.0029033700000000, 0.0034492400000000, 0.0000000000000000 ] - [ 0.0009685200000000, 0.0048428300000000, 0.0000000000000000 ] - [ 0.0009430900000000, -0.0005928700000000, 0.0000000000000000 ] - [ -0.0134714300000000, -0.0107748200000000, 0.0000000000000000 ] - [ 0.0023206200000000, 0.0006011400000000, 0.0000000000000000 ] - [ 0.0081314600000000, 0.0044262300000000, 0.0000000000000000 ] - [ 0.3189232000000000, -0.2054361200000000, 0.0000000000000000 ] - [ -0.0025963500000000, -0.0010508800000000, 0.0000000000000000 ] - [ -0.0032660100000000, -0.0014897100000000, 0.0000000000000000 ] - [ 0.0093715400000000, -0.0108542300000000, 0.0000000000000000 ] - [ 0.0116009200000000, 0.0083221000000000, -0.0075006400000000 ] - [ -0.0020276500000000, 0.0009998500000000, 0.0012512500000000 ] - [ 0.0001493300000000, 0.0002784000000000, -0.0000762300000000 ] - [ -0.0000009400000000, -0.0001455500000000, -0.0000750500000000 ] - [ -0.0000009400000000, -0.0001455500000000, 0.0000750500000000 ] - [ 0.0001493300000000, 0.0002784000000000, 0.0000762300000000 ] - [ -0.0020276500000000, 0.0009998500000000, -0.0012512500000000 ] - [ 0.0116009200000000, 0.0083221000000000, 0.0075006400000000 ] - [ -0.0271307000000000, 0.0136342600000000, 0.0000000000000000 ] - [ -0.0011311900000000, 0.0016726500000000, 0.0000000000000000 ] - [ 0.0003745400000000, 0.0005762200000000, 0.0000000000000000 ] - [ -0.0075045000000000, 0.0008104700000000, 0.0000000000000000 ] - [ 0.0004946400000000, -0.0000566800000000, 0.0000000000000000 ] - [ 0.0004280900000000, -0.0000169000000000, 0.0000000000000000 ] - [ -0.0003688100000000, -0.0001843600000000, 0.0000000000000000 ] - [ 0.0035412300000000, 0.0032776600000000, 0.0000000000000000 ] - [ -0.0025501100000000, -0.0041082900000000, 0.0027222000000000 ] - [ -0.0010482900000000, 0.0000015800000000, 0.0002759200000000 ] - [ 0.0013492300000000, 0.0000398800000000, 0.0004300900000000 ] - [ -0.0025501100000000, -0.0041082900000000, -0.0027222000000000 ] - [ 0.0003315000000000, -0.0002607300000000, 0.0005336400000000 ] - [ 0.0003315000000000, -0.0002607300000000, -0.0005336400000000 ] - [ -0.0010482900000000, 0.0000015800000000, -0.0002759200000000 ] - [ 0.0013492300000000, 0.0000398800000000, -0.0004300900000000 ] - [ 0.0040706400000000, -0.0057224100000000, 0.0000000000000000 ] - [ -0.0015468300000000, -0.0018666500000000, 0.0000000000000000 ] - [ -0.0025950900000000, -0.0036712300000000, 0.0000000000000000 ] - [ 0.0009505100000000, -0.0019881700000000, 0.0000000000000000 ] - [ -0.0005303500000000, 0.0002921500000000, 0.0000000000000000 ] - [ 0.0013583400000000, 0.0014853000000000, 0.0000000000000000 ] - [ 0.0006891200000000, 0.0010475900000000, 0.0000000000000000 ] - [ -0.0003406400000000, -0.0000441900000000, 0.0000000000000000 ] - [ -0.0006846900000000, 0.0000616600000000, 0.0002428700000000 ] - [ 0.0001510200000000, 0.0012204200000000, 0.0004258000000000 ] - [ -0.0020688500000000, 0.0000665700000000, -0.0009026300000000 ] - [ -0.0199616300000000, -0.0022670600000000, -0.0177039700000000 ] - [ -0.0199616300000000, -0.0022670600000000, 0.0177039700000000 ] - [ -0.0020688500000000, 0.0000665700000000, 0.0009026300000000 ] - [ 0.0001510200000000, 0.0012204200000000, -0.0004258000000000 ] - [ -0.0006846900000000, 0.0000616600000000, -0.0002428700000000 ] - [ -0.0012082600000000, 0.0000602200000000, 0.0000000000000000 ] - [ 0.0010347100000000, 0.0044818000000000, 0.0000000000000000 ] - [ -0.0011165100000000, -0.0003019800000000, 0.0000000000000000 ] - [ -0.0001525900000000, 0.0006002200000000, 0.0000000000000000 ] - [ -0.0049005600000000, 0.0002890400000000, 0.0000000000000000 ] - [ -0.0086143100000000, -0.0060558500000000, 0.0000000000000000 ] - [ 0.0021733100000000, 0.0192373000000000, 0.0000000000000000 ] - [ -0.0008639900000000, -0.0003934000000000, 0.0000000000000000 ] - [ -0.0001847200000000, 0.0001308300000000, -0.0004103900000000 ] - [ 0.0051270500000000, 0.0003466700000000, -0.0033849500000000 ] - [ -0.0010711500000000, -0.0005804800000000, -0.0009725600000000 ] - [ -0.0001847200000000, 0.0001308300000000, 0.0004103900000000 ] - [ -0.0013950900000000, -0.0022071300000000, 0.0016834100000000 ] - [ -0.0013950900000000, -0.0022071300000000, -0.0016834100000000 ] - [ 0.0051270500000000, 0.0003466700000000, 0.0033849500000000 ] - [ -0.0010711500000000, -0.0005804800000000, 0.0009725600000000 ] - [ -0.0003462500000000, 0.0000520400000000, 0.0000000000000000 ] - [ 0.0019439100000000, -0.0004179600000000, 0.0000000000000000 ] - [ 0.0001346400000000, -0.0000730900000000, 0.0000000000000000 ] - [ 0.0006341400000000, -0.0015801900000000, 0.0000000000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000275200000000, -0.0001335900000000, 0.0279252900000000 ] - [ 0.0004360900000000, 0.0002352900000000, -0.0000059100000000 ] - [ -0.0004364400000000, -0.0002341900000000, -0.0000069300000000 ] - [ 0.0002350000000000, 0.0004354100000000, 0.0000219000000000 ] - [ -0.0002362200000000, -0.0004354200000000, 0.0000028700000000 ] - [ 0.0002358800000000, -0.0004353600000000, -0.0000001500000000 ] - [ 0.0004366600000000, -0.0002346100000000, -0.0000004900000000 ] - [ -0.0004278100000000, 0.0002314300000000, -0.0157200200000000 ] - [ 0.0000092200000000, -0.0008110700000000, -0.0007690400000000 ] - [ -0.0008089500000000, 0.0000018500000000, -0.0000000100000000 ] - [ 0.0008089600000000, 0.0000004200000000, -0.0000210300000000 ] - [ 0.0000018300000000, 0.0008119700000000, 0.0000010100000000 ] - [ -0.0000088500000000, -0.0002234900000000, 0.0005633000000000 ] - [ -0.0002026000000000, 0.0000001200000000, 0.0000001700000000 ] - [ 0.0002037900000000, 0.0000021500000000, 0.0001445000000000 ] - [ -0.0000001800000000, 0.0002047000000000, -0.0000005800000000 ] - [ -0.0002346100000000, 0.0004366600000000, -0.0000004900000000 ] - [ 0.0004354100000000, 0.0002350000000000, 0.0000219000000000 ] - [ -0.0004354200000000, -0.0002362200000000, 0.0000028700000000 ] - [ 0.0002352900000000, 0.0004360900000000, -0.0000059100000000 ] - [ -0.0002341900000000, -0.0004364400000000, -0.0000069300000000 ] - [ 0.0002314300000000, -0.0004278100000000, -0.0157200200000000 ] - [ -0.0001335900000000, -0.0000275200000000, 0.0279252900000000 ] - [ -0.0004353600000000, 0.0002358800000000, -0.0000001500000000 ] - [ 0.0000018500000000, -0.0008089500000000, -0.0000000100000000 ] - [ -0.0008110700000000, 0.0000092200000000, -0.0007690400000000 ] - [ 0.0008119700000000, 0.0000018300000000, 0.0000010100000000 ] - [ 0.0000004200000000, 0.0008089600000000, -0.0000210300000000 ] - [ 0.0000001200000000, -0.0002026000000000, 0.0000001700000000 ] - [ -0.0002234900000000, -0.0000088500000000, 0.0005633000000000 ] - [ 0.0002047000000000, -0.0000001800000000, -0.0000005800000000 ] - [ 0.0000021500000000, 0.0002037900000000, 0.0001445000000000 ] - [ 0.0002397700000000, 0.0002397700000000, -0.0574399700000000 ] - [ 0.0000255200000000, -0.0000257200000000, 0.0000007400000000 ] - [ -0.0000255000000000, 0.0000260900000000, -0.0000068100000000 ] - [ -0.0000270300000000, -0.0000270300000000, 0.0028388400000000 ] - [ -0.0002065000000000, -0.0178527900000000, 0.0087322800000000 ] - [ 0.0002063900000000, 0.0002116600000000, 0.0000003400000000 ] - [ -0.0002094600000000, -0.0002070000000000, -0.0000007400000000 ] - [ 0.0002091600000000, -0.0002096300000000, -0.0000005600000000 ] - [ 0.0002086400000000, -0.0002091300000000, 0.0000000000000000 ] - [ -0.0002081600000000, -0.0002121500000000, -0.0000014200000000 ] - [ 0.0002118900000000, 0.0002069200000000, 0.0000001900000000 ] - [ -0.0002221300000000, 0.0184309800000000, 0.0087325800000000 ] - [ -0.0003773000000000, 0.0000866800000000, -0.0047162300000000 ] - [ 0.0000797200000000, 0.0003827000000000, 0.0000030400000000 ] - [ -0.0000793900000000, -0.0003837200000000, -0.0000164100000000 ] - [ 0.0003850100000000, 0.0000821700000000, 0.0000033900000000 ] - [ -0.0003817800000000, -0.0000805600000000, -0.0000036900000000 ] - [ 0.0003823100000000, -0.0000805100000000, -0.0000030100000000 ] - [ 0.0000799600000000, -0.0003832900000000, 0.0000025800000000 ] - [ -0.0000801800000000, 0.0003815300000000, 0.0020419900000000 ] - [ -0.0003264300000000, 0.0000561700000000, -0.0003634300000000 ] - [ -0.0000084700000000, 0.0000000000000000, -0.0003385500000000 ] - [ 0.0000878200000000, 0.0000288300000000, -0.0002885600000000 ] - [ 0.0003224400000000, -0.0000643600000000, 0.0003295800000000 ] - [ -0.0000006500000000, 0.0000056500000000, 0.0003396700000000 ] - [ 0.0000000700000000, 0.0000093700000000, -0.0003474400000000 ] - [ -0.0000088800000000, -0.0000001800000000, 0.0003469900000000 ] - [ -0.0000707400000000, -0.0000296500000000, 0.0003975800000000 ] - [ 0.0001031200000000, 0.0001031200000000, 0.0005379300000000 ] - [ 0.0001065600000000, -0.0001075900000000, 0.0000082700000000 ] - [ -0.0001088700000000, 0.0001056200000000, 0.0000475100000000 ] - [ -0.0001074100000000, -0.0001074100000000, -0.0000032300000000 ] - [ 0.0000250800000000, 0.0000250800000000, 0.0000002600000000 ] - [ 0.0000260900000000, -0.0000255000000000, -0.0000068100000000 ] - [ -0.0000257200000000, 0.0000255200000000, 0.0000007400000000 ] - [ -0.0000259900000000, -0.0000259900000000, -0.0000011500000000 ] - [ -0.0002091300000000, 0.0002086400000000, 0.0000000000000000 ] - [ 0.0002069200000000, 0.0002118900000000, 0.0000001900000000 ] - [ -0.0002121500000000, -0.0002081600000000, -0.0000014200000000 ] - [ 0.0184309800000000, -0.0002221300000000, 0.0087325800000000 ] - [ -0.0178527900000000, -0.0002065000000000, 0.0087322800000000 ] - [ -0.0002070000000000, -0.0002094600000000, -0.0000007400000000 ] - [ 0.0002116600000000, 0.0002063900000000, 0.0000003400000000 ] - [ -0.0002096300000000, 0.0002091600000000, -0.0000005600000000 ] - [ -0.0003832900000000, 0.0000799600000000, 0.0000025800000000 ] - [ 0.0000821700000000, 0.0003850100000000, 0.0000033900000000 ] - [ -0.0000805600000000, -0.0003817800000000, -0.0000036900000000 ] - [ 0.0003827000000000, 0.0000797200000000, 0.0000030400000000 ] - [ -0.0003837200000000, -0.0000793900000000, -0.0000164100000000 ] - [ 0.0003815300000000, -0.0000801800000000, 0.0020419900000000 ] - [ 0.0000866800000000, -0.0003773000000000, -0.0047162300000000 ] - [ -0.0000805100000000, 0.0003823100000000, -0.0000030100000000 ] - [ 0.0000000000000000, -0.0000084700000000, -0.0003385500000000 ] - [ 0.0000561700000000, -0.0003264300000000, -0.0003634300000000 ] - [ 0.0000093700000000, 0.0000000700000000, -0.0003474400000000 ] - [ -0.0000001800000000, -0.0000088800000000, 0.0003469900000000 ] - [ -0.0000296500000000, -0.0000707400000000, 0.0003975800000000 ] - [ 0.0000288300000000, 0.0000878200000000, -0.0002885600000000 ] - [ -0.0000643600000000, 0.0003224400000000, 0.0003295800000000 ] - [ 0.0000056500000000, -0.0000006500000000, 0.0003396700000000 ] - [ 0.0001058600000000, 0.0001058600000000, -0.0000002700000000 ] - [ 0.0001056200000000, -0.0001088700000000, 0.0000475100000000 ] - [ -0.0001075900000000, 0.0001065600000000, 0.0000082700000000 ] - [ -0.0001070600000000, -0.0001070600000000, -0.0000019200000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0517457800000000, 0.0327085800000000, -0.0480679100000000 ] - [ -0.0026698600000000, 0.0013859200000000, -0.0000140600000000 ] - [ 0.0006859700000000, -0.0026044900000000, 0.0000171400000000 ] - [ -0.0051128500000000, 0.0007499500000000, 0.0000383600000000 ] - [ 0.0011696700000000, -0.0012398000000000, -0.0000010900000000 ] - [ -0.0000277400000000, -0.0005580700000000, 0.0000005300000000 ] - [ -0.0002618300000000, -0.0001770500000000, -0.0000005100000000 ] - [ 0.0919207000000000, 0.0361366700000000, -0.0935862300000000 ] - [ 0.0002398500000000, -0.0069983900000000, 0.0002932600000000 ] - [ -0.0031911800000000, -0.0006969200000000, -0.0000002000000000 ] - [ -0.0012764600000000, -0.0021505600000000, 0.0000567700000000 ] - [ 0.0005133100000000, -0.0004293400000000, 0.0000003400000000 ] - [ -0.0121511000000000, -0.0081940300000000, -0.0015326900000000 ] - [ -0.0022590700000000, 0.0008583100000000, -0.0000001300000000 ] - [ -0.0015605100000000, -0.0068678900000000, -0.0006918600000000 ] - [ 0.0007080800000000, -0.0006270300000000, -0.0000001500000000 ] - [ -0.0013566000000000, 0.0000978700000000, -0.0000004400000000 ] - [ 0.0010718100000000, -0.0003512900000000, 0.0000003200000000 ] - [ -0.0031587600000000, -0.0004319600000000, -0.0000001500000000 ] - [ 0.0002966000000000, -0.0003858700000000, -0.0000008300000000 ] - [ -0.0038281700000000, -0.0001586400000000, -0.0000009600000000 ] - [ -0.0050338200000000, 0.0155558500000000, -0.0003553200000000 ] - [ 0.0090176700000000, 0.0027944200000000, -0.0009071000000000 ] - [ -0.0011580400000000, -0.0005485400000000, 0.0000001600000000 ] - [ -0.0016886300000000, -0.0020423500000000, -0.0000023400000000 ] - [ 0.0020510600000000, -0.0024396100000000, -0.0000179200000000 ] - [ -0.0006827400000000, -0.0023630600000000, -0.0000066300000000 ] - [ -0.0030457100000000, -0.0000558900000000, 0.0000266500000000 ] - [ -0.0007057200000000, -0.0011580300000000, 0.0000008600000000 ] - [ 0.0024807300000000, 0.0006893100000000, 0.0000166300000000 ] - [ -0.0012327800000000, -0.0005917700000000, 0.0000013200000000 ] - [ -0.0051200900000000, 0.0002271000000000, -0.0000249100000000 ] - [ -0.0117985700000000, 0.0021342800000000, -0.0000271100000000 ] - [ 0.0018867000000000, 0.0004690200000000, 0.0000024000000000 ] - [ 0.0022167800000000, 0.0010370400000000, -0.0000025200000000 ] - [ 0.0205543600000000, -0.0082756400000000, -0.0183237000000000 ] - [ -0.1517495300000000, -0.0872403900000000, 0.1969747800000000 ] - [ 0.0019199700000000, -0.0004462600000000, -0.0009596100000000 ] - [ -0.0008788400000000, 0.0004461000000000, -0.0005438900000000 ] - [ 0.0004281700000000, -0.0001721100000000, 0.0001197500000000 ] - [ 0.0004274800000000, -0.0001713700000000, -0.0001197900000000 ] - [ -0.0008885500000000, 0.0004529800000000, 0.0005525700000000 ] - [ 0.0019490600000000, -0.0004536200000000, 0.0009707400000000 ] - [ -0.0159932700000000, -0.0025608000000000, -0.0093710600000000 ] - [ 0.0210432700000000, 0.0150022500000000, -0.0161169700000000 ] - [ 0.0011788400000000, -0.0008870800000000, 0.0000049900000000 ] - [ -0.0011393400000000, 0.0026830300000000, 0.0001020100000000 ] - [ 0.0058567900000000, -0.0003862300000000, 0.0001303800000000 ] - [ -0.0014306600000000, 0.0003197500000000, -0.0000028300000000 ] - [ 0.0003950500000000, 0.0000079700000000, -0.0000028200000000 ] - [ 0.0005642900000000, -0.0004054200000000, 0.0000028500000000 ] - [ -0.0000998500000000, 0.0118434700000000, -0.0074709200000000 ] - [ 0.0018927500000000, 0.0044146200000000, -0.0032117200000000 ] - [ 0.0011043400000000, -0.0000369800000000, -0.0010126200000000 ] - [ 0.0007127300000000, 0.0012889500000000, 0.0001770300000000 ] - [ 0.0014207800000000, 0.0033078300000000, 0.0024780000000000 ] - [ -0.0001833700000000, 0.0005238600000000, 0.0000110300000000 ] - [ -0.0001827800000000, 0.0005253500000000, -0.0000198400000000 ] - [ 0.0011028400000000, -0.0000375700000000, 0.0010212300000000 ] - [ 0.0011157800000000, 0.0013356900000000, -0.0004100000000000 ] - [ -0.0021265700000000, 0.0030024000000000, -0.0000104400000000 ] - [ 0.0019496200000000, 0.0010515700000000, -0.0000026400000000 ] - [ 0.0016504700000000, 0.0027525800000000, -0.0000695200000000 ] - [ 0.0012630500000000, 0.0002633900000000, -0.0000047000000000 ] - [ 0.0004985600000000, -0.0000415200000000, 0.0000003700000000 ] - [ -0.0003343900000000, 0.0002544100000000, 0.0000003700000000 ] - [ 0.0000361200000000, 0.0008134100000000, -0.0000022500000000 ] - [ 0.0001885700000000, 0.0001236000000000, -0.0000004500000000 ] - [ 0.0002011600000000, 0.0004861000000000, -0.0002710300000000 ] - [ -0.0000102700000000, 0.0005209600000000, 0.0002439800000000 ] - [ 0.0010574400000000, -0.0005205800000000, 0.0006751100000000 ] - [ -0.0022280400000000, -0.0041505000000000, -0.0032450000000000 ] - [ -0.0015773100000000, -0.0039081000000000, 0.0028855000000000 ] - [ 0.0010583500000000, -0.0005215100000000, -0.0006745500000000 ] - [ -0.0000103400000000, 0.0005208500000000, -0.0002453000000000 ] - [ 0.0002005700000000, 0.0004866700000000, 0.0002709700000000 ] - [ 0.0005116600000000, 0.0004696300000000, 0.0000024500000000 ] - [ -0.0005285400000000, 0.0007709400000000, 0.0000008000000000 ] - [ 0.0005745400000000, -0.0004206700000000, -0.0000028400000000 ] - [ 0.0004288900000000, 0.0003138300000000, 0.0000028200000000 ] - [ 0.0027654000000000, -0.0008812300000000, -0.0000058500000000 ] - [ 0.0043619400000000, -0.0012976700000000, 0.0002519500000000 ] - [ -0.0018524400000000, -0.0021902500000000, 0.0000394900000000 ] - [ 0.0004785000000000, 0.0011445700000000, -0.0000030000000000 ] - [ 0.0003486000000000, 0.0005443700000000, -0.0006801700000000 ] - [ -0.0014549000000000, 0.0002365000000000, 0.0005273900000000 ] - [ 0.0007662600000000, 0.0004265100000000, 0.0000994400000000 ] - [ 0.0003472800000000, 0.0005416700000000, 0.0006878600000000 ] - [ 0.0012925900000000, 0.0001772300000000, 0.0001700100000000 ] - [ 0.0012648500000000, 0.0001762400000000, -0.0001863700000000 ] - [ -0.0014585800000000, 0.0002498600000000, -0.0005185600000000 ] - [ 0.0007707400000000, 0.0004282900000000, -0.0001121900000000 ] - [ 0.0010336700000000, 0.0000840500000000, 0.0000005200000000 ] - [ -0.0002305500000000, 0.0006300100000000, 0.0000008100000000 ] - [ 0.0014304600000000, 0.0016531900000000, -0.0000188000000000 ] - [ -0.0004721500000000, 0.0009570600000000, 0.0000005700000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0516174000000000, -0.0321497400000000, 0.0486016500000000 ] - [ 0.0035452000000000, -0.0009130100000000, 0.0000135200000000 ] - [ -0.0015565200000000, 0.0021288500000000, -0.0000161600000000 ] - [ 0.0055915800000000, 0.0001254100000000, -0.0000386400000000 ] - [ -0.0016454300000000, 0.0003639800000000, 0.0000006300000000 ] - [ 0.0005016000000000, -0.0003168200000000, -0.0000004100000000 ] - [ 0.0011367100000000, -0.0003000600000000, 0.0000002900000000 ] - [ -0.0920875200000000, -0.0343929500000000, 0.0902778400000000 ] - [ -0.0002507400000000, 0.0053876400000000, -0.0002941100000000 ] - [ 0.0015684900000000, 0.0006937700000000, -0.0000003500000000 ] - [ 0.0029070600000000, 0.0021386900000000, -0.0000576300000000 ] - [ -0.0005154800000000, 0.0020509500000000, 0.0000005800000000 ] - [ 0.0121542000000000, 0.0077983000000000, 0.0015379800000000 ] - [ 0.0018513000000000, -0.0008613700000000, 0.0000008900000000 ] - [ 0.0019839800000000, 0.0068817800000000, 0.0006946500000000 ] - [ -0.0007082600000000, 0.0010319300000000, -0.0000011700000000 ] - [ 0.0008835000000000, 0.0007753400000000, -0.0000004100000000 ] - [ -0.0001953300000000, 0.0008204400000000, 0.0000003500000000 ] - [ 0.0022855200000000, -0.0000388400000000, 0.0000006200000000 ] - [ 0.0001847000000000, 0.0012555400000000, -0.0000005200000000 ] - [ 0.0033515200000000, -0.0007132500000000, 0.0000009200000000 ] - [ 0.0055070900000000, -0.0163150700000000, 0.0003428200000000 ] - [ -0.0080099600000000, -0.0032947900000000, 0.0008981300000000 ] - [ 0.0002859400000000, 0.0010243000000000, 0.0000005700000000 ] - [ 0.0016946400000000, 0.0004161100000000, 0.0000011900000000 ] - [ -0.0036832300000000, 0.0024330600000000, 0.0000167500000000 ] - [ 0.0023034700000000, 0.0023652600000000, 0.0000070500000000 ] - [ 0.0030435100000000, 0.0016701100000000, -0.0000275100000000 ] - [ 0.0007095100000000, 0.0007484600000000, 0.0000002900000000 ] - [ -0.0028891200000000, -0.0007077000000000, -0.0000153000000000 ] - [ 0.0016404100000000, 0.0005932800000000, -0.0000020700000000 ] - [ 0.0051093800000000, 0.0001814200000000, 0.0000255100000000 ] - [ 0.0117932700000000, -0.0019653000000000, -0.0000428300000000 ] - [ -0.0018414600000000, -0.0005116000000000, -0.0000024100000000 ] - [ -0.0022575500000000, -0.0009964700000000, 0.0000024600000000 ] - [ -0.0201777400000000, 0.0081386800000000, 0.0179624000000000 ] - [ 0.1498025100000000, 0.0867747700000000, -0.1939595000000000 ] - [ -0.0015014800000000, 0.0008644100000000, 0.0009588200000000 ] - [ 0.0004613900000000, -0.0008637400000000, 0.0005444300000000 ] - [ -0.0000070500000000, -0.0002454200000000, -0.0001187900000000 ] - [ -0.0000071900000000, -0.0002452600000000, 0.0001187100000000 ] - [ 0.0004724700000000, -0.0008709200000000, -0.0005513600000000 ] - [ -0.0015303100000000, 0.0008712800000000, -0.0009719700000000 ] - [ 0.0155571200000000, 0.0029816400000000, 0.0093683100000000 ] - [ -0.0220701300000000, -0.0150216600000000, 0.0163923600000000 ] - [ -0.0010210100000000, 0.0016547900000000, 0.0000004600000000 ] - [ 0.0009850400000000, -0.0034482400000000, -0.0001068800000000 ] - [ -0.0050937500000000, 0.0005414400000000, -0.0001263500000000 ] - [ 0.0006674400000000, -0.0004741400000000, -0.0000029500000000 ] - [ 0.0003752200000000, -0.0001625500000000, -0.0000024200000000 ] - [ -0.0004040900000000, -0.0003590000000000, 0.0000023400000000 ] - [ -0.0001276300000000, -0.0110249100000000, 0.0074041800000000 ] - [ -0.0018932300000000, -0.0044508500000000, 0.0025449300000000 ] - [ -0.0011208700000000, 0.0000384600000000, 0.0003352100000000 ] - [ -0.0006962100000000, -0.0012872200000000, -0.0008770700000000 ] - [ -0.0014183000000000, -0.0033376600000000, -0.0017891800000000 ] - [ 0.0001855200000000, -0.0005037800000000, 0.0006655400000000 ] - [ 0.0001861200000000, -0.0005030200000000, -0.0006746300000000 ] - [ -0.0011224200000000, 0.0000381200000000, -0.0003266300000000 ] - [ -0.0011027700000000, -0.0013376800000000, 0.0010936800000000 ] - [ 0.0023482600000000, -0.0027955400000000, 0.0000110100000000 ] - [ -0.0017357000000000, -0.0012573100000000, 0.0000026800000000 ] - [ -0.0018568400000000, -0.0025459400000000, 0.0000697900000000 ] - [ -0.0014749500000000, -0.0004675300000000, 0.0000044500000000 ] - [ -0.0004557100000000, 0.0000838400000000, 0.0000006000000000 ] - [ 0.0003790400000000, -0.0002943700000000, -0.0000004000000000 ] - [ -0.0000779100000000, -0.0007697400000000, 0.0000021500000000 ] - [ -0.0002297100000000, -0.0001674600000000, -0.0000007300000000 ] - [ -0.0006168500000000, -0.0000688300000000, 0.0002707700000000 ] - [ 0.0004289600000000, -0.0000998400000000, -0.0002436800000000 ] - [ -0.0014736700000000, 0.0001011700000000, -0.0006733700000000 ] - [ 0.0026159200000000, 0.0037004500000000, 0.0032135300000000 ] - [ 0.0019732000000000, 0.0034663800000000, -0.0028605400000000 ] - [ -0.0014736000000000, 0.0001014600000000, 0.0006746100000000 ] - [ 0.0004290400000000, -0.0001014300000000, 0.0002431000000000 ] - [ -0.0006175500000000, -0.0000680100000000, -0.0002707900000000 ] - [ -0.0012766100000000, -0.0003145900000000, 0.0000027900000000 ] - [ 0.0006846200000000, 0.0000027000000000, 0.0000047600000000 ] - [ -0.0007292900000000, -0.0003490800000000, -0.0000027800000000 ] - [ 0.0003353800000000, -0.0001588800000000, 0.0000027800000000 ] - [ -0.0035254900000000, 0.0007252600000000, 0.0000000600000000 ] - [ -0.0035813700000000, 0.0011281200000000, -0.0002536500000000 ] - [ 0.0019958700000000, 0.0014401400000000, -0.0000327000000000 ] - [ -0.0006328500000000, -0.0003792300000000, -0.0000021800000000 ] - [ -0.0003470500000000, -0.0005621700000000, 0.0000020400000000 ] - [ 0.0014403700000000, -0.0002322600000000, -0.0012071000000000 ] - [ -0.0007410000000000, -0.0004269800000000, -0.0007930500000000 ] - [ -0.0003467400000000, -0.0005616300000000, 0.0000080000000000 ] - [ -0.0012885600000000, -0.0001567100000000, 0.0005059000000000 ] - [ -0.0012604400000000, -0.0001535300000000, -0.0005077300000000 ] - [ 0.0014416600000000, -0.0002469800000000, 0.0012157700000000 ] - [ -0.0007482600000000, -0.0004298700000000, 0.0007882800000000 ] - [ -0.0008262000000000, 0.0001257100000000, -0.0000000800000000 ] - [ 0.0004446600000000, -0.0008341900000000, -0.0000008200000000 ] - [ -0.0016416000000000, -0.0014404000000000, 0.0000190300000000 ] - [ 0.0002677500000000, -0.0011679200000000, -0.0000012600000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0634731300000000, -0.1089925300000000, 0.1622116000000000 ] - [ 0.0020089000000000, -0.0007516100000000, 0.0000045000000000 ] - [ -0.0010584000000000, 0.0029275600000000, -0.0000198400000000 ] - [ 0.0034002800000000, -0.0001867200000000, -0.0000202000000000 ] - [ -0.0012187500000000, 0.0011337800000000, 0.0000046000000000 ] - [ 0.0003732600000000, -0.0000906200000000, -0.0000000600000000 ] - [ 0.0007824700000000, -0.0000946400000000, -0.0000003700000000 ] - [ -0.1031942100000000, -0.0590198300000000, 0.1533409400000000 ] - [ 0.0004883900000000, 0.0020887600000000, -0.0002897000000000 ] - [ 0.0006418200000000, 0.0001738200000000, -0.0000004100000000 ] - [ 0.0037006300000000, 0.0004928200000000, -0.0002879300000000 ] - [ 0.0001733500000000, 0.0022586600000000, 0.0000006000000000 ] - [ 0.0086755500000000, 0.0041555100000000, 0.0011953200000000 ] - [ 0.0009616500000000, -0.0005547000000000, 0.0000003700000000 ] - [ 0.0045526600000000, 0.0086722500000000, 0.0011964200000000 ] - [ -0.0005532500000000, 0.0013594500000000, -0.0000010400000000 ] - [ 0.0005028700000000, 0.0008665200000000, -0.0000012300000000 ] - [ 0.0000359400000000, 0.0020510000000000, 0.0000008600000000 ] - [ 0.0010401100000000, -0.0002521200000000, 0.0000006300000000 ] - [ 0.0002162000000000, 0.0019089600000000, -0.0000005300000000 ] - [ 0.0015868200000000, -0.0008363200000000, 0.0000003000000000 ] - [ 0.0027257300000000, -0.0149708600000000, 0.0005993500000000 ] - [ -0.0140893900000000, 0.0022473200000000, 0.0006076300000000 ] - [ -0.0000047600000000, 0.0009704300000000, -0.0000002200000000 ] - [ 0.0015602900000000, 0.0003358700000000, 0.0000033800000000 ] - [ -0.0012547800000000, 0.0020425200000000, -0.0000300500000000 ] - [ 0.0019538400000000, 0.0015594100000000, 0.0000045000000000 ] - [ 0.0020459000000000, 0.0003653100000000, -0.0000300100000000 ] - [ 0.0004543200000000, 0.0007962700000000, -0.0000004200000000 ] - [ -0.0010265900000000, 0.0023828200000000, 0.0000283200000000 ] - [ 0.0011965800000000, 0.0004535400000000, -0.0000018300000000 ] - [ 0.0023889900000000, -0.0006250300000000, 0.0000280700000000 ] - [ 0.0075909000000000, -0.0179015800000000, 0.0086768700000000 ] - [ -0.0008824900000000, -0.0001011700000000, -0.0000014800000000 ] - [ -0.0012745700000000, -0.0004066600000000, 0.0000008100000000 ] - [ -0.0178401900000000, 0.0075652000000000, 0.0087869200000000 ] - [ 0.1939321000000000, 0.1971612400000000, -0.4403072500000000 ] - [ -0.0007494000000000, 0.0007547100000000, 0.0006294200000000 ] - [ 0.0003332800000000, -0.0011692800000000, 0.0006294600000000 ] - [ 0.0000918500000000, -0.0003301600000000, -0.0001086200000000 ] - [ 0.0000914100000000, -0.0003296400000000, 0.0001078500000000 ] - [ 0.0003417900000000, -0.0011817400000000, -0.0006394900000000 ] - [ -0.0007611100000000, 0.0007621700000000, -0.0006411700000000 ] - [ 0.0091677800000000, 0.0095746800000000, 0.0879929400000000 ] - [ -0.0189072900000000, -0.0096352700000000, 0.0078512700000000 ] - [ -0.0005090900000000, 0.0012719000000000, 0.0000016700000000 ] - [ 0.0005669000000000, -0.0041839300000000, -0.0001171800000000 ] - [ -0.0034214700000000, 0.0007262300000000, -0.0001116800000000 ] - [ 0.0005020600000000, -0.0006687500000000, -0.0000041200000000 ] - [ 0.0003376700000000, -0.0003236400000000, -0.0000030200000000 ] - [ -0.0001624900000000, -0.0004330600000000, 0.0000022700000000 ] - [ -0.0096998700000000, -0.0179985700000000, 0.0078920300000000 ] - [ -0.0014265800000000, -0.0024377300000000, 0.0016690900000000 ] - [ -0.0006641600000000, 0.0000628200000000, 0.0000638600000000 ] - [ -0.0016900200000000, -0.0010968900000000, -0.0018843800000000 ] - [ -0.0010985500000000, -0.0017208800000000, -0.0011998100000000 ] - [ 0.0000629500000000, -0.0006448900000000, 0.0007386100000000 ] - [ 0.0000636100000000, -0.0006435900000000, -0.0007482200000000 ] - [ -0.0006658100000000, 0.0000623800000000, -0.0000559500000000 ] - [ -0.0024117600000000, -0.0014261300000000, 0.0023381200000000 ] - [ 0.0007434300000000, -0.0013464600000000, 0.0000405900000000 ] - [ -0.0009436500000000, -0.0005408400000000, 0.0000018800000000 ] - [ -0.0014458000000000, -0.0015640500000000, 0.0000518300000000 ] - [ -0.0015562900000000, 0.0005276400000000, 0.0000398800000000 ] - [ -0.0002209000000000, -0.0000540200000000, 0.0000002400000000 ] - [ -0.0000558200000000, -0.0009256500000000, -0.0000014300000000 ] - [ -0.0004492900000000, -0.0012290500000000, 0.0000007800000000 ] - [ -0.0000974600000000, -0.0002653800000000, -0.0000006500000000 ] - [ -0.0004808400000000, -0.0000608800000000, 0.0002143700000000 ] - [ 0.0004547000000000, -0.0004629400000000, -0.0003991700000000 ] - [ -0.0008855000000000, 0.0000331300000000, -0.0003987900000000 ] - [ 0.0034402900000000, 0.0030180500000000, 0.0039469800000000 ] - [ 0.0030815200000000, 0.0026644000000000, -0.0038586800000000 ] - [ -0.0008853900000000, 0.0000331700000000, 0.0003992200000000 ] - [ 0.0004551100000000, -0.0004641500000000, 0.0003977900000000 ] - [ -0.0004815000000000, -0.0000601700000000, -0.0002150500000000 ] - [ -0.0010195900000000, -0.0003003800000000, 0.0000025800000000 ] - [ 0.0006612500000000, -0.0012240500000000, 0.0000036600000000 ] - [ -0.0004643700000000, -0.0003257700000000, -0.0000031900000000 ] - [ 0.0004449100000000, -0.0003047100000000, 0.0000024600000000 ] - [ -0.0019969200000000, 0.0005013200000000, -0.0000017200000000 ] - [ -0.0012226300000000, 0.0017487100000000, -0.0001964300000000 ] - [ 0.0019115100000000, -0.0019901300000000, -0.0001900500000000 ] - [ -0.0004594400000000, -0.0002503700000000, -0.0000026400000000 ] - [ -0.0002911100000000, -0.0005602500000000, -0.0000056400000000 ] - [ 0.0003642600000000, -0.0006891300000000, -0.0004790600000000 ] - [ -0.0005346000000000, -0.0002904900000000, -0.0006761300000000 ] - [ -0.0002900700000000, -0.0005573500000000, 0.0000166000000000 ] - [ -0.0006901800000000, 0.0003817500000000, 0.0001969800000000 ] - [ -0.0006626600000000, 0.0003845700000000, -0.0002024000000000 ] - [ 0.0003647300000000, -0.0006626800000000, 0.0004915400000000 ] - [ -0.0005402900000000, -0.0002925900000000, 0.0006695300000000 ] - [ -0.0006473600000000, 0.0001997200000000, -0.0000008300000000 ] - [ -0.0003285000000000, -0.0011534800000000, 0.0000018900000000 ] - [ -0.0017729600000000, -0.0012342300000000, 0.0000519600000000 ] - [ -0.0000093200000000, -0.0008586500000000, -0.0000012700000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2804354400000000, 0.0203599600000000, 0.0000000000000000 ] - [ -0.0072169400000000, 0.0051228100000000, 0.0000000000000000 ] - [ 0.0006749400000000, -0.0044927900000000, 0.0000000000000000 ] - [ -0.0198644900000000, 0.0035592300000000, 0.0000000000000000 ] - [ 0.0027894700000000, -0.0020782100000000, 0.0000000000000000 ] - [ 0.0009207900000000, -0.0009884900000000, 0.0000000000000000 ] - [ -0.0002100200000000, 0.0005331700000000, 0.0000000000000000 ] - [ -0.0122744200000000, -0.0113252600000000, 0.0000000000000000 ] - [ 0.0088783200000000, -0.0190954900000000, 0.0000000000000000 ] - [ -0.0056002100000000, -0.0002158500000000, 0.0000000000000000 ] - [ -0.0044061100000000, -0.0022504000000000, 0.0000000000000000 ] - [ 0.0034525600000000, -0.0021431000000000, 0.0000000000000000 ] - [ 0.1847658300000000, 0.1081767800000000, 0.0000000000000000 ] - [ -0.0041527600000000, 0.0035982900000000, 0.0000000000000000 ] - [ -0.0039712200000000, -0.0095405500000000, 0.0000000000000000 ] - [ 0.0025067300000000, -0.0019280000000000, 0.0000000000000000 ] - [ -0.0027802000000000, -0.0003792100000000, 0.0000000000000000 ] - [ 0.0010910200000000, 0.0009336100000000, 0.0000000000000000 ] - [ -0.0078780100000000, -0.0025244700000000, 0.0000000000000000 ] - [ -0.0008858700000000, -0.0003657300000000, 0.0000000000000000 ] - [ -0.0084041500000000, -0.0001276500000000, 0.0000000000000000 ] - [ -0.0096530500000000, 0.0031681900000000, 0.0000000000000000 ] - [ -0.0109206600000000, 0.0126660500000000, 0.0000000000000000 ] - [ -0.0017521000000000, -0.0023446600000000, 0.0000000000000000 ] - [ -0.0037202700000000, -0.0021593400000000, 0.0000000000000000 ] - [ 0.0091098500000000, -0.0040930300000000, 0.0000000000000000 ] - [ -0.0017539700000000, -0.0075174700000000, 0.0000000000000000 ] - [ -0.0055869700000000, 0.0000689400000000, 0.0000000000000000 ] - [ -0.0023871300000000, -0.0012733100000000, 0.0000000000000000 ] - [ 0.0068341100000000, 0.0068391400000000, 0.0000000000000000 ] - [ -0.0026013300000000, -0.0029360100000000, 0.0000000000000000 ] - [ -0.0097946200000000, -0.0000505100000000, 0.0000000000000000 ] - [ 0.0267547000000000, -0.0198114600000000, 0.0000000000000000 ] - [ 0.0045578500000000, 0.0009382500000000, 0.0000000000000000 ] - [ 0.0078482500000000, 0.0041329700000000, 0.0000000000000000 ] - [ 0.0090152200000000, -0.0029671700000000, 0.0000000000000000 ] - [ 0.0214774400000000, 0.0117134600000000, -0.0185703100000000 ] - [ 0.0056739400000000, -0.0028562000000000, -0.0037969500000000 ] - [ -0.0012572100000000, 0.0010676900000000, -0.0008886700000000 ] - [ 0.0002159100000000, -0.0002267000000000, 0.0000488400000000 ] - [ 0.0002159100000000, -0.0002267000000000, -0.0000488400000000 ] - [ -0.0012572100000000, 0.0010676900000000, 0.0008886700000000 ] - [ 0.0056739400000000, -0.0028562000000000, 0.0037969500000000 ] - [ 0.0214774400000000, 0.0117134600000000, 0.0185703100000000 ] - [ -0.5692487200000000, -0.1674849500000000, 0.0000000000000000 ] - [ 0.0026270700000000, -0.0041377300000000, 0.0000000000000000 ] - [ -0.0009101500000000, 0.0041488000000000, 0.0000000000000000 ] - [ 0.0397162400000000, 0.0003480800000000, 0.0000000000000000 ] - [ -0.0030169500000000, 0.0010776600000000, 0.0000000000000000 ] - [ -0.0004651800000000, 0.0001230100000000, 0.0000000000000000 ] - [ 0.0005318700000000, -0.0013751400000000, 0.0000000000000000 ] - [ 0.0039675700000000, 0.0113288800000000, 0.0000000000000000 ] - [ 0.0030792500000000, 0.0209404700000000, -0.0157754900000000 ] - [ 0.0022205100000000, -0.0005351800000000, -0.0017031900000000 ] - [ 0.0024566900000000, 0.0018141100000000, 0.0011759300000000 ] - [ 0.0030792500000000, 0.0209404700000000, 0.0157754900000000 ] - [ -0.0008745200000000, 0.0012409600000000, -0.0004354000000000 ] - [ -0.0008745200000000, 0.0012409600000000, 0.0004354000000000 ] - [ 0.0022205100000000, -0.0005351800000000, 0.0017031900000000 ] - [ 0.0024566900000000, 0.0018141100000000, -0.0011759300000000 ] - [ -0.0095490800000000, 0.0081667200000000, 0.0000000000000000 ] - [ 0.0034516000000000, 0.0015184500000000, 0.0000000000000000 ] - [ 0.0040257000000000, 0.0084864200000000, 0.0000000000000000 ] - [ 0.0028957100000000, -0.0005572600000000, 0.0000000000000000 ] - [ 0.0008570700000000, -0.0001652300000000, 0.0000000000000000 ] - [ -0.0008467700000000, 0.0000505900000000, 0.0000000000000000 ] - [ 0.0005016500000000, 0.0013234200000000, 0.0000000000000000 ] - [ -0.0000773300000000, 0.0007439900000000, 0.0000000000000000 ] - [ 0.0006897500000000, 0.0009688500000000, -0.0006362500000000 ] - [ 0.0002504000000000, 0.0002417700000000, 0.0000605400000000 ] - [ 0.0029407400000000, -0.0005921000000000, 0.0016113500000000 ] - [ 0.0041820700000000, -0.0020237200000000, 0.0016086600000000 ] - [ 0.0041820700000000, -0.0020237200000000, -0.0016086600000000 ] - [ 0.0029407400000000, -0.0005921000000000, -0.0016113500000000 ] - [ 0.0002504000000000, 0.0002417700000000, -0.0000605400000000 ] - [ 0.0006897500000000, 0.0009688500000000, 0.0006362500000000 ] - [ 0.0017680400000000, 0.0008274200000000, 0.0000000000000000 ] - [ -0.0007190000000000, -0.0009935000000000, 0.0000000000000000 ] - [ 0.0012205600000000, 0.0009857900000000, 0.0000000000000000 ] - [ 0.0015226200000000, 0.0000717700000000, 0.0000000000000000 ] - [ 0.0063763100000000, -0.0016302200000000, 0.0000000000000000 ] - [ 0.0080112900000000, 0.0011120300000000, 0.0000000000000000 ] - [ -0.0013600100000000, -0.0094340800000000, 0.0000000000000000 ] - [ 0.0012808400000000, 0.0028977600000000, 0.0000000000000000 ] - [ 0.0008970600000000, 0.0006158100000000, -0.0007244100000000 ] - [ -0.0043004500000000, -0.0005778800000000, 0.0023761200000000 ] - [ 0.0014395600000000, 0.0015315500000000, 0.0004917100000000 ] - [ 0.0008970600000000, 0.0006158100000000, 0.0007244100000000 ] - [ 0.0023801300000000, 0.0002514300000000, 0.0001698900000000 ] - [ 0.0023801300000000, 0.0002514300000000, -0.0001698900000000 ] - [ -0.0043004500000000, -0.0005778800000000, -0.0023761200000000 ] - [ 0.0014395600000000, 0.0015315500000000, -0.0004917100000000 ] - [ 0.0024007000000000, -0.0006664400000000, 0.0000000000000000 ] - [ -0.0023071000000000, 0.0005160000000000, 0.0000000000000000 ] - [ 0.0029471700000000, 0.0024901500000000, 0.0000000000000000 ] - [ -0.0023648100000000, 0.0035897500000000, 0.0000000000000000 ]- atom: 45 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2629650200000000, -0.0179680100000000, 0.0000000000000000 ] - [ 0.0080875800000000, -0.0046451500000000, 0.0000000000000000 ] - [ -0.0015416800000000, 0.0039952500000000, 0.0000000000000000 ] - [ 0.0203623700000000, -0.0026801000000000, 0.0000000000000000 ] - [ -0.0032630200000000, 0.0011981400000000, 0.0000000000000000 ] - [ -0.0004439300000000, 0.0001097900000000, 0.0000000000000000 ] - [ 0.0010770900000000, -0.0010221000000000, 0.0000000000000000 ] - [ 0.0113809600000000, 0.0117768900000000, 0.0000000000000000 ] - [ -0.0088514600000000, 0.0173301100000000, 0.0000000000000000 ] - [ 0.0039587400000000, 0.0002117600000000, 0.0000000000000000 ] - [ 0.0060250500000000, 0.0022391700000000, 0.0000000000000000 ] - [ -0.0034458600000000, 0.0037591900000000, 0.0000000000000000 ] - [ -0.1938652200000000, -0.1163806200000000, 0.0000000000000000 ] - [ 0.0037253400000000, -0.0036059100000000, 0.0000000000000000 ] - [ 0.0043824100000000, 0.0095081200000000, 0.0000000000000000 ] - [ -0.0025032300000000, 0.0023335300000000, 0.0000000000000000 ] - [ 0.0022874300000000, 0.0012484800000000, 0.0000000000000000 ] - [ -0.0002127800000000, -0.0004526100000000, 0.0000000000000000 ] - [ 0.0069955700000000, 0.0020591200000000, 0.0000000000000000 ] - [ 0.0013708000000000, 0.0012339600000000, 0.0000000000000000 ] - [ 0.0079094500000000, -0.0007382600000000, 0.0000000000000000 ] - [ 0.0101122200000000, -0.0040256200000000, 0.0000000000000000 ] - [ 0.0117764100000000, -0.0131176300000000, 0.0000000000000000 ] - [ 0.0008706500000000, 0.0028197700000000, 0.0000000000000000 ] - [ 0.0037159500000000, 0.0005188300000000, 0.0000000000000000 ] - [ -0.0106990900000000, 0.0040554400000000, 0.0000000000000000 ] - [ 0.0033494500000000, 0.0074781200000000, 0.0000000000000000 ] - [ 0.0055759600000000, 0.0015564600000000, 0.0000000000000000 ] - [ 0.0023812700000000, 0.0008489000000000, 0.0000000000000000 ] - [ -0.0072154500000000, -0.0068173400000000, 0.0000000000000000 ] - [ 0.0029930700000000, 0.0029395900000000, 0.0000000000000000 ] - [ 0.0097750500000000, 0.0004675200000000, 0.0000000000000000 ] - [ -0.0264392500000000, 0.0196354600000000, 0.0000000000000000 ] - [ -0.0045094600000000, -0.0009908100000000, 0.0000000000000000 ] - [ -0.0079164500000000, -0.0041084600000000, 0.0000000000000000 ] - [ -0.0090274200000000, 0.0029043900000000, 0.0000000000000000 ] - [ -0.0216391800000000, -0.0111530800000000, 0.0183392700000000 ] - [ -0.0052722300000000, 0.0032798600000000, 0.0038087500000000 ] - [ 0.0008366300000000, -0.0014783000000000, 0.0008851100000000 ] - [ 0.0002004400000000, -0.0001851200000000, -0.0000462700000000 ] - [ 0.0002004400000000, -0.0001851200000000, 0.0000462700000000 ] - [ 0.0008366300000000, -0.0014783000000000, -0.0008851100000000 ] - [ -0.0052722300000000, 0.0032798600000000, -0.0038087500000000 ] - [ -0.0216391800000000, -0.0111530800000000, -0.0183392700000000 ] - [ 0.5592708300000000, 0.1740464700000000, 0.0000000000000000 ] - [ -0.0024634900000000, 0.0048987300000000, 0.0000000000000000 ] - [ 0.0007410000000000, -0.0048873100000000, 0.0000000000000000 ] - [ -0.0395326200000000, -0.0002563800000000, 0.0000000000000000 ] - [ 0.0022517000000000, -0.0012360800000000, 0.0000000000000000 ] - [ 0.0012211500000000, -0.0002833700000000, 0.0000000000000000 ] - [ -0.0003638300000000, 0.0006263400000000, 0.0000000000000000 ] - [ -0.0041204700000000, -0.0105259700000000, 0.0000000000000000 ] - [ -0.0029535800000000, -0.0209646000000000, 0.0150433300000000 ] - [ -0.0022259700000000, 0.0005372200000000, 0.0010103900000000 ] - [ -0.0024464100000000, -0.0018079700000000, -0.0018646800000000 ] - [ -0.0029535800000000, -0.0209646000000000, -0.0150433300000000 ] - [ 0.0008719000000000, -0.0012267300000000, 0.0011219800000000 ] - [ 0.0008719000000000, -0.0012267300000000, -0.0011219800000000 ] - [ -0.0022259700000000, 0.0005372200000000, -0.0010103900000000 ] - [ -0.0024464100000000, -0.0018079700000000, 0.0018646800000000 ] - [ 0.0097347300000000, -0.0079073700000000, 0.0000000000000000 ] - [ -0.0032288200000000, -0.0017291700000000, 0.0000000000000000 ] - [ -0.0042083600000000, -0.0082118300000000, 0.0000000000000000 ] - [ -0.0031113200000000, 0.0003411700000000, 0.0000000000000000 ] - [ -0.0008055700000000, 0.0002176500000000, 0.0000000000000000 ] - [ 0.0008918500000000, -0.0001000900000000, 0.0000000000000000 ] - [ -0.0005550900000000, -0.0012678600000000, 0.0000000000000000 ] - [ 0.0000259900000000, -0.0007939800000000, 0.0000000000000000 ] - [ -0.0011019200000000, -0.0005515300000000, 0.0006334600000000 ] - [ 0.0001614800000000, 0.0001747200000000, -0.0000590700000000 ] - [ -0.0033540900000000, 0.0001716900000000, -0.0016088500000000 ] - [ -0.0037572200000000, 0.0016017300000000, -0.0016046200000000 ] - [ -0.0037572200000000, 0.0016017300000000, 0.0016046200000000 ] - [ -0.0033540900000000, 0.0001716900000000, 0.0016088500000000 ] - [ 0.0001614800000000, 0.0001747200000000, 0.0000590700000000 ] - [ -0.0011019200000000, -0.0005515300000000, -0.0006334600000000 ] - [ -0.0025173800000000, -0.0006619700000000, 0.0000000000000000 ] - [ 0.0008754200000000, 0.0017476100000000, 0.0000000000000000 ] - [ -0.0013786400000000, -0.0017565900000000, 0.0000000000000000 ] - [ -0.0007701100000000, 0.0000908000000000, 0.0000000000000000 ] - [ -0.0071228000000000, 0.0014645300000000, 0.0000000000000000 ] - [ -0.0072406100000000, -0.0012745900000000, 0.0000000000000000 ] - [ 0.0015153200000000, 0.0086385400000000, 0.0000000000000000 ] - [ -0.0014385300000000, -0.0021372100000000, 0.0000000000000000 ] - [ -0.0008964700000000, -0.0006190300000000, 0.0000307000000000 ] - [ 0.0042717300000000, 0.0005792200000000, -0.0030549300000000 ] - [ -0.0014173000000000, -0.0015277900000000, -0.0011728900000000 ] - [ -0.0008964700000000, -0.0006190300000000, -0.0000307000000000 ] - [ -0.0023773000000000, -0.0002429500000000, 0.0005205300000000 ] - [ -0.0023773000000000, -0.0002429500000000, -0.0005205300000000 ] - [ 0.0042717300000000, 0.0005792200000000, 0.0030549300000000 ] - [ -0.0014173000000000, -0.0015277900000000, 0.0011728900000000 ] - [ -0.0021845800000000, 0.0008829500000000, 0.0000000000000000 ] - [ 0.0025154700000000, -0.0007205300000000, 0.0000000000000000 ] - [ -0.0031600000000000, -0.0022640400000000, 0.0000000000000000 ] - [ 0.0021443000000000, -0.0037905100000000, 0.0000000000000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0156221400000000, 0.0338972600000000, 0.0000000000000000 ] - [ 0.0000085000000000, 0.0018314100000000, 0.0000000000000000 ] - [ -0.0003444500000000, -0.0032516600000000, 0.0000000000000000 ] - [ -0.0015397300000000, 0.0030870500000000, 0.0000000000000000 ] - [ 0.0007848600000000, -0.0025871100000000, 0.0000000000000000 ] - [ 0.0001568300000000, -0.0017294200000000, 0.0000000000000000 ] - [ 0.0003907500000000, -0.0011428800000000, 0.0000000000000000 ] - [ -0.0082226300000000, -0.0033887800000000, 0.0000000000000000 ] - [ 0.0033626500000000, -0.0126474000000000, 0.0000000000000000 ] - [ -0.0016698900000000, -0.0002095800000000, 0.0000000000000000 ] - [ -0.0017894200000000, -0.0008212500000000, 0.0000000000000000 ] - [ 0.0004836900000000, -0.0022589000000000, 0.0000000000000000 ] - [ 0.1100947500000000, 0.1129480900000000, 0.0000000000000000 ] - [ -0.0006602400000000, 0.0001605800000000, 0.0000000000000000 ] - [ -0.0023593500000000, -0.0043932200000000, 0.0000000000000000 ] - [ 0.0006749500000000, -0.0023120300000000, 0.0000000000000000 ] - [ -0.0010627800000000, -0.0005207200000000, 0.0000000000000000 ] - [ 0.0008994200000000, -0.0015180000000000, 0.0000000000000000 ] - [ -0.0022584200000000, 0.0008679200000000, 0.0000000000000000 ] - [ 0.0001802100000000, -0.0010291900000000, 0.0000000000000000 ] - [ -0.0019790900000000, 0.0007521300000000, 0.0000000000000000 ] - [ -0.0019857600000000, 0.0060087100000000, 0.0000000000000000 ] - [ 0.0041438400000000, 0.0016892300000000, 0.0000000000000000 ] - [ -0.0010365700000000, -0.0014236600000000, 0.0000000000000000 ] - [ -0.0012146600000000, -0.0019691300000000, 0.0000000000000000 ] - [ 0.0029322000000000, -0.0042789200000000, 0.0000000000000000 ] - [ -0.0026288900000000, -0.0047851900000000, 0.0000000000000000 ] - [ -0.0017337300000000, 0.0013814000000000, 0.0000000000000000 ] - [ -0.0005594300000000, -0.0012472700000000, 0.0000000000000000 ] - [ 0.0030260300000000, -0.0001997700000000, 0.0000000000000000 ] - [ -0.0025269300000000, -0.0005421300000000, 0.0000000000000000 ] - [ -0.0019963100000000, 0.0010911000000000, 0.0000000000000000 ] - [ -0.0133624600000000, -0.0020432300000000, 0.0000000000000000 ] - [ 0.0003921600000000, -0.0004818200000000, 0.0000000000000000 ] - [ 0.0006988800000000, -0.0009250600000000, 0.0000000000000000 ] - [ 0.0059652600000000, -0.0036722900000000, 0.0000000000000000 ] - [ 0.0148185600000000, 0.0001956200000000, -0.0096768000000000 ] - [ 0.0006661300000000, -0.0008539800000000, -0.0006447300000000 ] - [ -0.0006007400000000, 0.0008935900000000, -0.0005877700000000 ] - [ 0.0002909600000000, 0.0002794200000000, 0.0002430700000000 ] - [ 0.0002909600000000, 0.0002794200000000, -0.0002430700000000 ] - [ -0.0006007400000000, 0.0008935900000000, 0.0005877700000000 ] - [ 0.0006661300000000, -0.0008539800000000, 0.0006447300000000 ] - [ 0.0148185600000000, 0.0001956200000000, 0.0096768000000000 ] - [ -0.1680280200000000, -0.1533198300000000, 0.0000000000000000 ] - [ 0.0001911300000000, -0.0004437600000000, 0.0000000000000000 ] - [ -0.0001903800000000, 0.0021620700000000, 0.0000000000000000 ] - [ 0.0000793700000000, -0.0064383900000000, 0.0000000000000000 ] - [ -0.0015302300000000, 0.0009680600000000, 0.0000000000000000 ] - [ 0.0005805300000000, 0.0006635100000000, 0.0000000000000000 ] - [ 0.0001297700000000, 0.0000711400000000, 0.0000000000000000 ] - [ 0.0023253400000000, 0.0044055400000000, 0.0000000000000000 ] - [ 0.0120792100000000, 0.0110768800000000, -0.0134271900000000 ] - [ 0.0003438500000000, 0.0000028300000000, -0.0005717100000000 ] - [ 0.0013136800000000, 0.0007949100000000, 0.0004281900000000 ] - [ 0.0120792100000000, 0.0110768800000000, 0.0134271900000000 ] - [ -0.0001712100000000, 0.0013738400000000, -0.0004968500000000 ] - [ -0.0001712100000000, 0.0013738400000000, 0.0004968500000000 ] - [ 0.0003438500000000, 0.0000028300000000, 0.0005717100000000 ] - [ 0.0013136800000000, 0.0007949100000000, -0.0004281900000000 ] - [ -0.0038258200000000, 0.0048403700000000, 0.0000000000000000 ] - [ 0.0008801700000000, 0.0001589800000000, 0.0000000000000000 ] - [ 0.0042489300000000, 0.0065685000000000, 0.0000000000000000 ] - [ 0.0011893200000000, -0.0005805600000000, 0.0000000000000000 ] - [ 0.0000451300000000, 0.0004785800000000, 0.0000000000000000 ] - [ 0.0000544600000000, 0.0010106000000000, 0.0000000000000000 ] - [ 0.0004945700000000, 0.0012399400000000, 0.0000000000000000 ] - [ -0.0000921500000000, 0.0007546500000000, 0.0000000000000000 ] - [ 0.0001857300000000, 0.0007607000000000, -0.0003784400000000 ] - [ -0.0000303600000000, 0.0008579400000000, 0.0003828700000000 ] - [ 0.0005939200000000, -0.0008090300000000, 0.0005785900000000 ] - [ -0.0010123000000000, -0.0021255600000000, -0.0018318900000000 ] - [ -0.0010123000000000, -0.0021255600000000, 0.0018318900000000 ] - [ 0.0005939200000000, -0.0008090300000000, -0.0005785900000000 ] - [ -0.0000303600000000, 0.0008579400000000, -0.0003828700000000 ] - [ 0.0001857300000000, 0.0007607000000000, 0.0003784400000000 ] - [ 0.0003646100000000, 0.0005565900000000, 0.0000000000000000 ] - [ -0.0007970800000000, 0.0016792400000000, 0.0000000000000000 ] - [ 0.0007964000000000, -0.0011712500000000, 0.0000000000000000 ] - [ 0.0003861200000000, 0.0004510600000000, 0.0000000000000000 ] - [ 0.0011626400000000, -0.0007491700000000, 0.0000000000000000 ] - [ 0.0015607500000000, -0.0008426500000000, 0.0000000000000000 ] - [ -0.0011884800000000, -0.0017971100000000, 0.0000000000000000 ] - [ 0.0007922800000000, 0.0017342600000000, 0.0000000000000000 ] - [ 0.0002599100000000, 0.0005618500000000, -0.0006830600000000 ] - [ -0.0018005000000000, 0.0006405500000000, 0.0007093000000000 ] - [ 0.0016004900000000, 0.0007412900000000, 0.0006431200000000 ] - [ 0.0002599100000000, 0.0005618500000000, 0.0006830600000000 ] - [ 0.0005786100000000, -0.0003873900000000, 0.0005596100000000 ] - [ 0.0005786100000000, -0.0003873900000000, -0.0005596100000000 ] - [ -0.0018005000000000, 0.0006405500000000, -0.0007093000000000 ] - [ 0.0016004900000000, 0.0007412900000000, -0.0006431200000000 ] - [ 0.0005806700000000, 0.0001833000000000, 0.0000000000000000 ] - [ 0.0001522800000000, 0.0016925400000000, 0.0000000000000000 ] - [ 0.0012107800000000, 0.0012455000000000, 0.0000000000000000 ] - [ -0.0006913800000000, 0.0021351100000000, 0.0000000000000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0172314900000000, -0.0332953500000000, 0.0000000000000000 ] - [ 0.0008763000000000, -0.0013587500000000, 0.0000000000000000 ] - [ -0.0005319200000000, 0.0027838200000000, 0.0000000000000000 ] - [ 0.0020190300000000, -0.0022178900000000, 0.0000000000000000 ] - [ -0.0012750100000000, 0.0017192500000000, 0.0000000000000000 ] - [ 0.0003243600000000, 0.0008600900000000, 0.0000000000000000 ] - [ 0.0004859500000000, 0.0006647900000000, 0.0000000000000000 ] - [ 0.0073978800000000, 0.0039099600000000, 0.0000000000000000 ] - [ -0.0034017600000000, 0.0111012400000000, 0.0000000000000000 ] - [ 0.0000506200000000, 0.0002136900000000, 0.0000000000000000 ] - [ 0.0034303600000000, 0.0008284100000000, 0.0000000000000000 ] - [ -0.0004906100000000, 0.0039017300000000, 0.0000000000000000 ] - [ -0.1147540300000000, -0.1148753800000000, 0.0000000000000000 ] - [ 0.0002499600000000, -0.0001641600000000, 0.0000000000000000 ] - [ 0.0027882300000000, 0.0044220200000000, 0.0000000000000000 ] - [ -0.0006792400000000, 0.0027386700000000, 0.0000000000000000 ] - [ 0.0005902800000000, 0.0013963300000000, 0.0000000000000000 ] - [ -0.0000305600000000, 0.0019973700000000, 0.0000000000000000 ] - [ 0.0014014600000000, -0.0013530900000000, 0.0000000000000000 ] - [ 0.0003024500000000, 0.0019031700000000, 0.0000000000000000 ] - [ 0.0015180000000000, -0.0016294300000000, 0.0000000000000000 ] - [ 0.0024932500000000, -0.0068927000000000, 0.0000000000000000 ] - [ -0.0032239900000000, -0.0022164800000000, 0.0000000000000000 ] - [ 0.0001703600000000, 0.0019111400000000, 0.0000000000000000 ] - [ 0.0012265200000000, 0.0003442200000000, 0.0000000000000000 ] - [ -0.0045980200000000, 0.0042955000000000, 0.0000000000000000 ] - [ 0.0042768400000000, 0.0048112300000000, 0.0000000000000000 ] - [ 0.0017483100000000, 0.0002501600000000, 0.0000000000000000 ] - [ 0.0005651300000000, 0.0008328400000000, 0.0000000000000000 ] - [ -0.0034719800000000, 0.0001768200000000, 0.0000000000000000 ] - [ 0.0029630500000000, 0.0005438600000000, 0.0000000000000000 ] - [ 0.0020208200000000, -0.0006710200000000, 0.0000000000000000 ] - [ 0.0134366500000000, 0.0021393500000000, 0.0000000000000000 ] - [ -0.0003471800000000, 0.0004286300000000, 0.0000000000000000 ] - [ -0.0007547700000000, 0.0009788800000000, 0.0000000000000000 ] - [ -0.0060331700000000, 0.0036281300000000, 0.0000000000000000 ] - [ -0.0152075000000000, 0.0001685900000000, 0.0096591300000000 ] - [ -0.0002561100000000, 0.0012709900000000, 0.0006474900000000 ] - [ 0.0001899300000000, -0.0013134100000000, 0.0005908700000000 ] - [ 0.0001231500000000, -0.0006959200000000, -0.0002439200000000 ] - [ 0.0001231500000000, -0.0006959200000000, 0.0002439200000000 ] - [ 0.0001899300000000, -0.0013134100000000, -0.0005908700000000 ] - [ -0.0002561100000000, 0.0012709900000000, -0.0006474900000000 ] - [ -0.0152075000000000, 0.0001685900000000, -0.0096591300000000 ] - [ 0.1733572700000000, 0.1556302000000000, 0.0000000000000000 ] - [ -0.0000309500000000, 0.0012040200000000, 0.0000000000000000 ] - [ 0.0000321100000000, -0.0029329500000000, 0.0000000000000000 ] - [ 0.0006833800000000, 0.0066448900000000, 0.0000000000000000 ] - [ 0.0007820800000000, -0.0011347800000000, 0.0000000000000000 ] - [ 0.0001754400000000, -0.0008300300000000, 0.0000000000000000 ] - [ 0.0000340000000000, -0.0008295100000000, 0.0000000000000000 ] - [ -0.0024990100000000, -0.0036850000000000, 0.0000000000000000 ] - [ -0.0122983200000000, -0.0112461800000000, 0.0129582800000000 ] - [ -0.0003558500000000, -0.0000036000000000, -0.0001156000000000 ] - [ -0.0013116600000000, -0.0008016400000000, -0.0011228300000000 ] - [ -0.0122983200000000, -0.0112461800000000, -0.0129582800000000 ] - [ 0.0001736300000000, -0.0013721700000000, 0.0011908500000000 ] - [ 0.0001736300000000, -0.0013721700000000, -0.0011908500000000 ] - [ -0.0003558500000000, -0.0000036000000000, 0.0001156000000000 ] - [ -0.0013116600000000, -0.0008016400000000, 0.0011228300000000 ] - [ 0.0040795000000000, -0.0046537500000000, 0.0000000000000000 ] - [ -0.0006696400000000, -0.0003826300000000, 0.0000000000000000 ] - [ -0.0044925500000000, -0.0063958600000000, 0.0000000000000000 ] - [ -0.0014153400000000, 0.0003598800000000, 0.0000000000000000 ] - [ 0.0000035300000000, -0.0004291100000000, 0.0000000000000000 ] - [ -0.0000000100000000, -0.0010628300000000, 0.0000000000000000 ] - [ -0.0005465800000000, -0.0011926800000000, 0.0000000000000000 ] - [ 0.0000392000000000, -0.0008107900000000, 0.0000000000000000 ] - [ -0.0006027900000000, -0.0003494600000000, 0.0003805700000000 ] - [ 0.0004467200000000, -0.0004442100000000, -0.0003836800000000 ] - [ -0.0010154800000000, 0.0003963100000000, -0.0005826000000000 ] - [ 0.0014164000000000, 0.0017153800000000, 0.0018277900000000 ] - [ 0.0014164000000000, 0.0017153800000000, -0.0018277900000000 ] - [ -0.0010154800000000, 0.0003963100000000, 0.0005826000000000 ] - [ 0.0004467200000000, -0.0004442100000000, 0.0003836800000000 ] - [ -0.0006027900000000, -0.0003494600000000, -0.0003805700000000 ] - [ -0.0011252600000000, -0.0003970100000000, 0.0000000000000000 ] - [ 0.0009661500000000, -0.0009209300000000, 0.0000000000000000 ] - [ -0.0009671100000000, 0.0004186700000000, 0.0000000000000000 ] - [ 0.0003677000000000, -0.0002904200000000, 0.0000000000000000 ] - [ -0.0019335200000000, 0.0005901300000000, 0.0000000000000000 ] - [ -0.0008244600000000, 0.0006755000000000, 0.0000000000000000 ] - [ 0.0013579700000000, 0.0010737100000000, 0.0000000000000000 ] - [ -0.0009614000000000, -0.0009867400000000, 0.0000000000000000 ] - [ -0.0002614000000000, -0.0005727100000000, -0.0000060200000000 ] - [ 0.0018100800000000, -0.0006404700000000, -0.0014098700000000 ] - [ -0.0016016100000000, -0.0007467500000000, -0.0013390100000000 ] - [ -0.0002614000000000, -0.0005727100000000, 0.0000060200000000 ] - [ -0.0005840700000000, 0.0003926800000000, 0.0001322200000000 ] - [ -0.0005840700000000, 0.0003926800000000, -0.0001322200000000 ] - [ 0.0018100800000000, -0.0006404700000000, 0.0014098700000000 ] - [ -0.0016016100000000, -0.0007467500000000, 0.0013390100000000 ] - [ -0.0003681800000000, 0.0000319100000000, 0.0000000000000000 ] - [ 0.0000708000000000, -0.0019147600000000, 0.0000000000000000 ] - [ -0.0014374100000000, -0.0010342500000000, 0.0000000000000000 ] - [ 0.0004799800000000, -0.0023667500000000, 0.0000000000000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009187100000000, 0.0004223600000000, 0.0253610600000000 ] - [ 0.0004364700000000, 0.0002384800000000, 0.0000642300000000 ] - [ -0.0004370300000000, -0.0002385700000000, -0.0000075700000000 ] - [ 0.0002229500000000, 0.0004418500000000, -0.0004377800000000 ] - [ -0.0002373400000000, -0.0004382300000000, 0.0000030900000000 ] - [ 0.0002368400000000, -0.0004373700000000, 0.0000002000000000 ] - [ 0.0004372000000000, -0.0002365600000000, -0.0000009700000000 ] - [ -0.0004441800000000, 0.0002407900000000, -0.0139159900000000 ] - [ 0.0000079300000000, -0.0008143700000000, -0.0150958000000000 ] - [ -0.0008109400000000, 0.0000016100000000, -0.0000006100000000 ] - [ 0.0008072800000000, -0.0000003900000000, 0.0000060500000000 ] - [ 0.0000010200000000, 0.0008100200000000, -0.0000109600000000 ] - [ 0.0004982700000000, 0.0001719000000000, 0.0242706800000000 ] - [ -0.0002032800000000, 0.0000007800000000, -0.0000020800000000 ] - [ 0.0002004800000000, -0.0000020800000000, 0.0000783600000000 ] - [ 0.0000007300000000, 0.0002012500000000, 0.0000025900000000 ] - [ -0.0002370900000000, 0.0004362300000000, -0.0000006000000000 ] - [ 0.0004360100000000, 0.0002354500000000, -0.0000000500000000 ] - [ -0.0004383500000000, -0.0002376300000000, 0.0000256000000000 ] - [ 0.0002368400000000, 0.0004348800000000, -0.0000004000000000 ] - [ -0.0002370800000000, -0.0004362500000000, -0.0000059600000000 ] - [ 0.0002365900000000, -0.0004314600000000, 0.0001452400000000 ] - [ 0.0004485200000000, -0.0002440700000000, -0.0006770700000000 ] - [ -0.0004364700000000, 0.0002359000000000, 0.0000004000000000 ] - [ 0.0000007400000000, -0.0008109300000000, -0.0000003500000000 ] - [ -0.0008126800000000, -0.0000008000000000, -0.0000078400000000 ] - [ 0.0008099100000000, -0.0000019000000000, 0.0001806900000000 ] - [ -0.0000010400000000, 0.0008112400000000, 0.0000000300000000 ] - [ -0.0000005800000000, -0.0002030300000000, 0.0000002400000000 ] - [ -0.0002042700000000, -0.0000035500000000, 0.0000490600000000 ] - [ 0.0002030800000000, -0.0000016700000000, -0.0000337400000000 ] - [ -0.0000001700000000, 0.0002045400000000, -0.0000040800000000 ] - [ -0.0000089800000000, 0.0000264500000000, -0.0047178300000000 ] - [ 0.0000219200000000, -0.0000221800000000, -0.0000135000000000 ] - [ -0.0000180700000000, 0.0000227700000000, 0.0000006300000000 ] - [ -0.0000174800000000, -0.0000244800000000, 0.0020439300000000 ] - [ -0.0163962000000000, -0.0071969200000000, 0.0078682400000000 ] - [ 0.0003382100000000, 0.0001026100000000, -0.0001168600000000 ] - [ -0.0002095200000000, -0.0002060800000000, -0.0000008900000000 ] - [ 0.0002091200000000, -0.0002092100000000, -0.0000001400000000 ] - [ 0.0002083000000000, -0.0002083000000000, -0.0000005400000000 ] - [ -0.0002088700000000, -0.0002108800000000, -0.0000004500000000 ] - [ 0.0000821000000000, 0.0003110800000000, -0.0001129300000000 ] - [ 0.0161109200000000, 0.0076791900000000, 0.0078770400000000 ] - [ -0.0002148000000000, -0.0002208300000000, -0.0517507100000000 ] - [ 0.0000779100000000, 0.0003816600000000, -0.0000081900000000 ] - [ -0.0000769600000000, -0.0003821800000000, -0.0000137200000000 ] - [ 0.0003998400000000, 0.0000813300000000, -0.0039466300000000 ] - [ -0.0003842000000000, -0.0000764500000000, -0.0000059700000000 ] - [ 0.0003828600000000, -0.0000771200000000, -0.0000037300000000 ] - [ 0.0000781300000000, -0.0003836900000000, 0.0000033500000000 ] - [ -0.0000752800000000, 0.0003847200000000, 0.0017071000000000 ] - [ -0.0102402300000000, -0.0158871200000000, 0.0084648200000000 ] - [ -0.0000094300000000, -0.0000001100000000, -0.0003390200000000 ] - [ 0.0000596700000000, 0.0000076400000000, -0.0003127300000000 ] - [ 0.0101515600000000, 0.0157411600000000, 0.0091484000000000 ] - [ -0.0000012500000000, 0.0000135000000000, 0.0003363500000000 ] - [ 0.0000006400000000, 0.0000090600000000, -0.0003489600000000 ] - [ -0.0000119800000000, -0.0000005800000000, 0.0003465900000000 ] - [ -0.0000365500000000, -0.0000075000000000, 0.0003723800000000 ] - [ 0.0001042700000000, 0.0001044000000000, 0.0014286700000000 ] - [ 0.0001046400000000, -0.0001050800000000, -0.0000004000000000 ] - [ -0.0001054100000000, 0.0001049000000000, 0.0023454900000000 ] - [ -0.0001043100000000, -0.0001061700000000, -0.0000049000000000 ] - [ 0.0000207600000000, 0.0000213900000000, 0.0000007500000000 ] - [ 0.0000212500000000, -0.0000204300000000, -0.0000007500000000 ] - [ -0.0000212200000000, 0.0000225300000000, 0.0000003400000000 ] - [ -0.0000224500000000, -0.0000217600000000, -0.0000010700000000 ] - [ -0.0002088500000000, 0.0002083300000000, -0.0000002600000000 ] - [ 0.0002090200000000, 0.0002100200000000, -0.0000006400000000 ] - [ -0.0002059400000000, -0.0002109700000000, 0.0000018300000000 ] - [ -0.0000469700000000, -0.0002466200000000, -0.0001968900000000 ] - [ 0.0004584600000000, -0.0001741400000000, -0.0001896800000000 ] - [ -0.0002115100000000, -0.0002075000000000, 0.0000008900000000 ] - [ 0.0002090100000000, 0.0002091000000000, -0.0000009800000000 ] - [ -0.0002092100000000, 0.0002098900000000, 0.0000001700000000 ] - [ -0.0003829400000000, 0.0000772100000000, 0.0000023500000000 ] - [ 0.0000774500000000, 0.0003846700000000, 0.0000002400000000 ] - [ -0.0000786100000000, -0.0003826800000000, -0.0000053500000000 ] - [ 0.0003828700000000, 0.0000766800000000, 0.0000025500000000 ] - [ -0.0003830900000000, -0.0000775900000000, -0.0000007700000000 ] - [ 0.0003819800000000, -0.0000784100000000, -0.0000661300000000 ] - [ 0.0000762200000000, -0.0003789200000000, 0.0000665200000000 ] - [ -0.0000776000000000, 0.0003837200000000, 0.0000076000000000 ] - [ 0.0000001500000000, -0.0000102200000000, -0.0003387900000000 ] - [ -0.0000464300000000, -0.0000063200000000, -0.0003072700000000 ] - [ 0.0000958700000000, 0.0000295200000000, -0.0002888300000000 ] - [ -0.0000001300000000, -0.0000108400000000, 0.0003473000000000 ] - [ 0.0000000800000000, 0.0000104700000000, 0.0003379900000000 ] - [ -0.0000002000000000, 0.0000088600000000, -0.0003490800000000 ] - [ 0.0000262800000000, 0.0000069700000000, 0.0003798700000000 ] - [ -0.0000743400000000, -0.0000292800000000, 0.0003966200000000 ] - [ 0.0001037200000000, 0.0001030400000000, -0.0000002100000000 ] - [ 0.0001035500000000, -0.0001031700000000, -0.0000043900000000 ] - [ -0.0001048200000000, 0.0001057200000000, 0.0000029700000000 ] - [ -0.0001045900000000, -0.0001032900000000, -0.0000273900000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0071332400000000, -0.0017854500000000, 0.0002791500000000 ] - [ -0.0019583400000000, 0.0025578000000000, -0.0000536100000000 ] - [ -0.0003657900000000, -0.0006307300000000, 0.0000005400000000 ] - [ -0.0066889900000000, 0.0026434900000000, -0.0002691800000000 ] - [ 0.0007100000000000, -0.0001200100000000, 0.0000000500000000 ] - [ 0.0011837000000000, -0.0007536800000000, -0.0000000500000000 ] - [ 0.0005065000000000, 0.0001559100000000, -0.0000000700000000 ] - [ -0.0028307000000000, -0.0020856800000000, 0.0000514000000000 ] - [ 0.0293901300000000, -0.0004611800000000, -0.0005799500000000 ] - [ -0.0022576700000000, 0.0002485500000000, 0.0000000700000000 ] - [ -0.0006379900000000, -0.0002492800000000, 0.0000003500000000 ] - [ 0.0050916200000000, 0.0008088000000000, 0.0000004500000000 ] - [ 0.0320048600000000, -0.0005451500000000, 0.0005681900000000 ] - [ -0.0013271100000000, 0.0015252600000000, 0.0000002100000000 ] - [ -0.0009179900000000, -0.0015265200000000, -0.0000004700000000 ] - [ 0.0013032200000000, 0.0002029600000000, -0.0000004100000000 ] - [ -0.0012264100000000, -0.0000322400000000, 0.0000005000000000 ] - [ 0.0000906700000000, 0.0018637200000000, 0.0000012700000000 ] - [ -0.0037701800000000, -0.0010716300000000, -0.0000401900000000 ] - [ -0.0007510300000000, 0.0009046300000000, -0.0000012200000000 ] - [ -0.0032065900000000, 0.0000616800000000, 0.0000020900000000 ] - [ -0.0027337600000000, -0.0009373900000000, -0.0000021300000000 ] - [ -0.0029041500000000, 0.0006018800000000, 0.0000412900000000 ] - [ -0.0007830300000000, -0.0013891000000000, -0.0000007100000000 ] - [ -0.0011791300000000, -0.0008101100000000, -0.0000003200000000 ] - [ -0.0027314800000000, 0.0068522700000000, 0.0008848700000000 ] - [ -0.0011277500000000, -0.0068730200000000, -0.0008883400000000 ] - [ -0.0016443600000000, 0.0008085300000000, -0.0000003100000000 ] - [ -0.0012533800000000, -0.0002041900000000, 0.0000004500000000 ] - [ -0.0018328400000000, 0.0017544600000000, -0.0000992800000000 ] - [ -0.0014285400000000, -0.0017496300000000, 0.0001015400000000 ] - [ -0.0032193600000000, 0.0002038000000000, 0.0000003400000000 ] - [ 0.0025757700000000, -0.0003213700000000, -0.0003260800000000 ] - [ 0.0014207800000000, 0.0000207600000000, 0.0000291900000000 ] - [ 0.0025267500000000, 0.0003743700000000, 0.0003226600000000 ] - [ 0.0013735400000000, -0.0000652800000000, -0.0000295400000000 ] - [ 0.0016821900000000, 0.0015448400000000, -0.0014246900000000 ] - [ 0.0016284400000000, -0.0010798100000000, -0.0010994900000000 ] - [ -0.0003934900000000, -0.0001703900000000, -0.0000624500000000 ] - [ 0.0000235800000000, -0.0002457900000000, -0.0000626000000000 ] - [ 0.0000232100000000, -0.0002452300000000, 0.0000626300000000 ] - [ -0.0003929300000000, -0.0001705300000000, 0.0000635300000000 ] - [ 0.0021030800000000, -0.0011292500000000, 0.0014275400000000 ] - [ 0.0012086300000000, 0.0014974700000000, 0.0010963200000000 ] - [ 0.0026288800000000, 0.0123246100000000, -0.0102375900000000 ] - [ 0.0008744800000000, -0.0014289300000000, 0.0000102500000000 ] - [ -0.0000766400000000, 0.0001545000000000, -0.0000026300000000 ] - [ 0.0034041200000000, -0.0120503100000000, 0.0101549500000000 ] - [ -0.0012559300000000, 0.0000952300000000, -0.0000021300000000 ] - [ -0.0004913600000000, -0.0002501500000000, -0.0000031800000000 ] - [ 0.0000801400000000, -0.0009183000000000, 0.0000026300000000 ] - [ 0.0007190900000000, 0.0021931500000000, -0.0000097000000000 ] - [ -0.0480405200000000, -0.0000075300000000, -0.0003318100000000 ] - [ 0.0006512900000000, -0.0002762800000000, -0.0007455000000000 ] - [ 0.0006698300000000, 0.0002767900000000, 0.0000590900000000 ] - [ -0.0131523600000000, -0.0000106600000000, 0.0003460400000000 ] - [ -0.0008735200000000, 0.0000092200000000, 0.0003384200000000 ] - [ -0.0008932700000000, 0.0000106600000000, -0.0003471800000000 ] - [ 0.0006502500000000, -0.0002768500000000, 0.0007545200000000 ] - [ 0.0006691900000000, 0.0002765100000000, -0.0000678200000000 ] - [ 0.0024987300000000, -0.0152025300000000, 0.0093210200000000 ] - [ 0.0010349600000000, 0.0002061200000000, 0.0000001600000000 ] - [ 0.0022809200000000, 0.0153176200000000, -0.0092325600000000 ] - [ 0.0008207900000000, -0.0004191400000000, -0.0000001400000000 ] - [ 0.0002059500000000, 0.0000221000000000, 0.0000005500000000 ] - [ -0.0003097100000000, -0.0006037600000000, 0.0000000800000000 ] - [ 0.0001596700000000, 0.0000242000000000, 0.0000002200000000 ] - [ -0.0003557400000000, 0.0005569900000000, -0.0000007200000000 ] - [ 0.0001397000000000, 0.0006369800000000, -0.0002918700000000 ] - [ 0.0005544600000000, -0.0002184100000000, -0.0002906300000000 ] - [ 0.0010809500000000, -0.0004426000000000, 0.0006897000000000 ] - [ 0.0014710200000000, 0.0000403000000000, 0.0006627900000000 ] - [ 0.0014988800000000, 0.0000263400000000, -0.0006899100000000 ] - [ 0.0010535500000000, -0.0004568800000000, -0.0006617600000000 ] - [ 0.0005553500000000, -0.0002215400000000, 0.0002913400000000 ] - [ 0.0001383300000000, 0.0006352700000000, 0.0002904400000000 ] - [ 0.0005146900000000, 0.0003382700000000, 0.0000025900000000 ] - [ 0.0008197400000000, -0.0011477400000000, 0.0000318400000000 ] - [ 0.0005604000000000, 0.0001947000000000, 0.0000040800000000 ] - [ 0.0012778800000000, -0.0001833800000000, 0.0000029500000000 ] - [ 0.0019961700000000, -0.0006584900000000, -0.0000032100000000 ] - [ 0.0027607200000000, 0.0005040500000000, -0.0000023000000000 ] - [ 0.0007159500000000, -0.0009628200000000, -0.0000044900000000 ] - [ 0.0006645500000000, 0.0019114900000000, -0.0000317600000000 ] - [ 0.0003621100000000, -0.0000088300000000, -0.0003386700000000 ] - [ 0.0006328100000000, -0.0011392900000000, -0.0007320900000000 ] - [ 0.0006567300000000, 0.0011395500000000, 0.0000499700000000 ] - [ 0.0003617100000000, -0.0000098200000000, 0.0003476600000000 ] - [ 0.0007495200000000, 0.0000088600000000, 0.0003386200000000 ] - [ 0.0007498300000000, 0.0000101600000000, -0.0003475700000000 ] - [ 0.0011688600000000, -0.0012439500000000, 0.0010604400000000 ] - [ 0.0011919400000000, 0.0012441000000000, -0.0003781400000000 ] - [ 0.0009095200000000, -0.0003385000000000, 0.0000003400000000 ] - [ -0.0025601900000000, -0.0034754000000000, -0.0001570700000000 ] - [ 0.0006966700000000, 0.0005514000000000, 0.0000000200000000 ] - [ -0.0027714900000000, 0.0032644000000000, 0.0001561500000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0175167100000000, 0.0039538200000000, -0.0010716500000000 ] - [ 0.0047966300000000, -0.0017399400000000, 0.0003526800000000 ] - [ 0.0000681400000000, -0.0029968200000000, 0.0000003800000000 ] - [ 0.0175167100000000, 0.0039538200000000, -0.0010716500000000 ] - [ 0.0010112100000000, -0.0027599400000000, -0.0000001500000000 ] - [ -0.0010112100000000, -0.0027599400000000, -0.0000001500000000 ] - [ -0.0000681400000000, -0.0029968200000000, 0.0000003800000000 ] - [ -0.0047966300000000, -0.0017399400000000, 0.0003526800000000 ] - [ 0.0000000000000000, 0.1130387400000000, -0.1071634100000000 ] - [ -0.0000557300000000, -0.0011910500000000, 0.0000002100000000 ] - [ 0.0000557300000000, -0.0011910500000000, 0.0000002100000000 ] - [ 0.0000000000000000, -0.0043364200000000, 0.0000656300000000 ] - [ 0.0000000000000000, 0.1137120600000000, -0.1087497000000000 ] - [ 0.0006920400000000, -0.0031569200000000, -0.0000028400000000 ] - [ -0.0006920400000000, -0.0031569200000000, -0.0000028400000000 ] - [ 0.0000000000000000, -0.0037613500000000, -0.0000196100000000 ] - [ -0.0010135900000000, -0.0010852300000000, 0.0000008400000000 ] - [ 0.0015829800000000, -0.0018055300000000, -0.0000002800000000 ] - [ 0.0008485000000000, 0.0057464100000000, -0.0000048200000000 ] - [ 0.0010135900000000, -0.0010852300000000, 0.0000008400000000 ] - [ 0.0006094500000000, 0.0021342600000000, -0.0000001700000000 ] - [ -0.0006094500000000, 0.0021342600000000, -0.0000001700000000 ] - [ -0.0008485000000000, 0.0057464100000000, -0.0000048200000000 ] - [ -0.0015829800000000, -0.0018055300000000, -0.0000002800000000 ] - [ 0.0000000000000000, -0.0025611200000000, -0.0000007300000000 ] - [ 0.0090461800000000, -0.0101829600000000, -0.0015524800000000 ] - [ -0.0090461800000000, -0.0101829600000000, -0.0015524800000000 ] - [ 0.0000000000000000, 0.0005794800000000, -0.0000004200000000 ] - [ 0.0000000000000000, -0.0016878400000000, 0.0000006200000000 ] - [ 0.0061856000000000, 0.0020376000000000, 0.0004005800000000 ] - [ -0.0061856000000000, 0.0020376000000000, 0.0004005800000000 ] - [ 0.0000000000000000, 0.0004534200000000, 0.0000007400000000 ] - [ 0.0041312700000000, -0.0051212700000000, 0.0000613200000000 ] - [ -0.0021958300000000, -0.0013834700000000, -0.0000791700000000 ] - [ -0.0041312700000000, -0.0051212700000000, 0.0000613200000000 ] - [ 0.0021958300000000, -0.0013834700000000, -0.0000791700000000 ] - [ 0.0042319700000000, 0.0013145300000000, -0.0024272000000000 ] - [ -0.0031177200000000, 0.0009079000000000, 0.0017057400000000 ] - [ -0.0007195200000000, 0.0009057200000000, -0.0006540100000000 ] - [ 0.0007195200000000, 0.0009055400000000, 0.0006546800000000 ] - [ 0.0007195200000000, 0.0009057200000000, -0.0006540100000000 ] - [ -0.0007195200000000, 0.0009055400000000, 0.0006546800000000 ] - [ -0.0042319700000000, 0.0013145300000000, -0.0024272000000000 ] - [ 0.0031177200000000, 0.0009079000000000, 0.0017057400000000 ] - [ 0.0206805600000000, 0.0113021400000000, -0.0159245900000000 ] - [ -0.0012342200000000, 0.0028296600000000, -0.0000474100000000 ] - [ -0.0004285100000000, 0.0018418000000000, 0.0000004800000000 ] - [ -0.0206805600000000, 0.0113021400000000, -0.0159245900000000 ] - [ -0.0016125500000000, 0.0012913400000000, -0.0000000700000000 ] - [ 0.0016125500000000, 0.0012913400000000, -0.0000000700000000 ] - [ 0.0004285100000000, 0.0018418000000000, 0.0000004800000000 ] - [ 0.0012342200000000, 0.0028296600000000, -0.0000474100000000 ] - [ 0.0000000000000000, -0.2573635700000000, 0.2984991900000000 ] - [ -0.0004208500000000, 0.0006592700000000, -0.0001056300000000 ] - [ 0.0004208500000000, 0.0006592700000000, -0.0001056300000000 ] - [ 0.0000000000000000, -0.0193901200000000, -0.0136533000000000 ] - [ 0.0000000000000000, 0.0022003200000000, -0.0010377000000000 ] - [ 0.0000000000000000, 0.0022356900000000, 0.0010539000000000 ] - [ -0.0004238200000000, 0.0006593900000000, 0.0001041200000000 ] - [ 0.0004238200000000, 0.0006593900000000, 0.0001041200000000 ] - [ -0.0161534000000000, 0.0178208500000000, -0.0151915000000000 ] - [ 0.0000697500000000, 0.0002478200000000, 0.0000000400000000 ] - [ 0.0161534000000000, 0.0178208500000000, -0.0151915000000000 ] - [ -0.0000697500000000, 0.0002478200000000, 0.0000000400000000 ] - [ -0.0001110900000000, 0.0010692600000000, -0.0000000200000000 ] - [ -0.0002367000000000, 0.0010493300000000, -0.0000015300000000 ] - [ 0.0001110900000000, 0.0010692600000000, -0.0000000200000000 ] - [ 0.0002367000000000, 0.0010493300000000, -0.0000015300000000 ] - [ 0.0003479100000000, 0.0009633600000000, -0.0005502500000000 ] - [ -0.0003457800000000, 0.0009584000000000, 0.0005457900000000 ] - [ -0.0003722100000000, -0.0016537900000000, 0.0003735700000000 ] - [ 0.0003698200000000, -0.0016563200000000, -0.0003747500000000 ] - [ 0.0003722100000000, -0.0016537900000000, 0.0003735700000000 ] - [ -0.0003698200000000, -0.0016563200000000, -0.0003747500000000 ] - [ -0.0003479100000000, 0.0009633600000000, -0.0005502500000000 ] - [ 0.0003457800000000, 0.0009584000000000, 0.0005457900000000 ] - [ 0.0002375000000000, 0.0006430200000000, 0.0000026600000000 ] - [ -0.0015202300000000, 0.0018072700000000, -0.0000839500000000 ] - [ 0.0017252700000000, -0.0046633300000000, -0.0000368000000000 ] - [ -0.0002375000000000, 0.0006430200000000, 0.0000026600000000 ] - [ -0.0006266800000000, -0.0004716400000000, -0.0000012600000000 ] - [ 0.0006266800000000, -0.0004716400000000, -0.0000012600000000 ] - [ -0.0017252700000000, -0.0046633300000000, -0.0000368000000000 ] - [ 0.0015202300000000, 0.0018072700000000, -0.0000839500000000 ] - [ 0.0000000000000000, 0.0008232500000000, -0.0008420800000000 ] - [ -0.0037126000000000, 0.0006445400000000, 0.0020859300000000 ] - [ 0.0037126000000000, 0.0006445400000000, 0.0020859300000000 ] - [ 0.0000000000000000, 0.0008219400000000, 0.0008511100000000 ] - [ 0.0000000000000000, -0.0000101400000000, 0.0003218800000000 ] - [ 0.0000000000000000, -0.0000089100000000, -0.0003307700000000 ] - [ -0.0047935600000000, 0.0011777900000000, -0.0028101300000000 ] - [ 0.0047935600000000, 0.0011777900000000, -0.0028101300000000 ] - [ -0.0004541200000000, 0.0010819900000000, 0.0000000600000000 ] - [ 0.0002849900000000, 0.0035425200000000, 0.0001339100000000 ] - [ 0.0004541200000000, 0.0010819900000000, 0.0000000600000000 ] - [ -0.0002849900000000, 0.0035425200000000, 0.0001339100000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0170331000000000, -0.0030668800000000, 0.0010607700000000 ] - [ -0.0039256400000000, 0.0022205800000000, -0.0003515000000000 ] - [ -0.0009415800000000, 0.0025206700000000, 0.0000001800000000 ] - [ -0.0170331000000000, -0.0030668800000000, 0.0010607700000000 ] - [ -0.0014901200000000, 0.0018878200000000, 0.0000001400000000 ] - [ 0.0014901200000000, 0.0018878200000000, 0.0000001400000000 ] - [ 0.0009415800000000, 0.0025206700000000, 0.0000001800000000 ] - [ 0.0039256400000000, 0.0022205800000000, -0.0003515000000000 ] - [ 0.0000000000000000, -0.1165228500000000, 0.1122638000000000 ] - [ -0.0015704900000000, 0.0011919900000000, 0.0000004500000000 ] - [ 0.0015704900000000, 0.0011919900000000, 0.0000004500000000 ] - [ 0.0000000000000000, 0.0059670200000000, -0.0000646800000000 ] - [ 0.0000000000000000, -0.1122965400000000, 0.1037295400000000 ] - [ -0.0011072400000000, 0.0031579800000000, 0.0000023400000000 ] - [ 0.0011072400000000, 0.0031579800000000, 0.0000023400000000 ] - [ 0.0000000000000000, 0.0041780800000000, 0.0000184200000000 ] - [ 0.0005368700000000, 0.0019568000000000, -0.0000016500000000 ] - [ -0.0007125200000000, 0.0022824200000000, 0.0000010500000000 ] - [ -0.0017290200000000, -0.0062327900000000, 0.0000055700000000 ] - [ -0.0005368700000000, 0.0019568000000000, -0.0000016500000000 ] - [ -0.0010881600000000, -0.0030063100000000, -0.0000000900000000 ] - [ 0.0010881600000000, -0.0030063100000000, -0.0000000900000000 ] - [ 0.0017290200000000, -0.0062327900000000, 0.0000055700000000 ] - [ 0.0007125200000000, 0.0022824200000000, 0.0000010500000000 ] - [ 0.0000000000000000, 0.0009340600000000, -0.0000004500000000 ] - [ -0.0106805400000000, 0.0101881600000000, 0.0015568900000000 ] - [ 0.0106805400000000, 0.0101881600000000, 0.0015568900000000 ] - [ 0.0000000000000000, 0.0010468000000000, -0.0000008200000000 ] - [ 0.0000000000000000, 0.0012729100000000, 0.0000009900000000 ] - [ -0.0066055800000000, -0.0020453700000000, -0.0004013600000000 ] - [ 0.0066055800000000, -0.0020453700000000, -0.0004013600000000 ] - [ 0.0000000000000000, -0.0000373500000000, 0.0000007100000000 ] - [ -0.0040851800000000, 0.0051652600000000, -0.0000581100000000 ] - [ 0.0022456600000000, 0.0013305400000000, 0.0000781900000000 ] - [ 0.0040851800000000, 0.0051652600000000, -0.0000581100000000 ] - [ -0.0022456600000000, 0.0013305400000000, 0.0000781900000000 ] - [ -0.0046394400000000, -0.0008977700000000, 0.0024218500000000 ] - [ 0.0035340000000000, -0.0004949600000000, -0.0017051900000000 ] - [ 0.0003035200000000, -0.0013235900000000, 0.0006550100000000 ] - [ -0.0003039000000000, -0.0013239400000000, -0.0006544900000000 ] - [ -0.0003035200000000, -0.0013235900000000, 0.0006550100000000 ] - [ 0.0003039000000000, -0.0013239400000000, -0.0006544900000000 ] - [ 0.0046394400000000, -0.0008977700000000, 0.0024218500000000 ] - [ -0.0035340000000000, -0.0004949600000000, -0.0017051900000000 ] - [ -0.0212250100000000, -0.0110101800000000, 0.0157048800000000 ] - [ 0.0013978800000000, -0.0020746300000000, 0.0000472900000000 ] - [ 0.0002646900000000, -0.0026029500000000, -0.0000005600000000 ] - [ 0.0212250100000000, -0.0110101800000000, 0.0157048800000000 ] - [ 0.0008557800000000, -0.0014575900000000, -0.0000052600000000 ] - [ -0.0008557800000000, -0.0014575900000000, -0.0000052600000000 ] - [ -0.0002646900000000, -0.0026029500000000, -0.0000005600000000 ] - [ -0.0013978800000000, -0.0020746300000000, 0.0000472900000000 ] - [ 0.0000000000000000, 0.2574711000000000, -0.2992800000000000 ] - [ 0.0004126000000000, -0.0006605600000000, -0.0005840900000000 ] - [ -0.0004126000000000, -0.0006605600000000, -0.0005840900000000 ] - [ 0.0000000000000000, 0.0193824100000000, 0.0143432800000000 ] - [ 0.0000000000000000, -0.0021959700000000, 0.0017197500000000 ] - [ 0.0000000000000000, -0.0022232800000000, -0.0017529600000000 ] - [ 0.0004154200000000, -0.0006614000000000, 0.0005860000000000 ] - [ -0.0004154200000000, -0.0006614000000000, 0.0005860000000000 ] - [ 0.0165703600000000, -0.0177366300000000, 0.0154290800000000 ] - [ 0.0001474500000000, -0.0004672000000000, -0.0000001100000000 ] - [ -0.0165703600000000, -0.0177366300000000, 0.0154290800000000 ] - [ -0.0001474500000000, -0.0004672000000000, -0.0000001100000000 ] - [ 0.0001608500000000, -0.0010204000000000, 0.0000007800000000 ] - [ 0.0002886500000000, -0.0011016600000000, 0.0000010000000000 ] - [ -0.0001608500000000, -0.0010204000000000, 0.0000007800000000 ] - [ -0.0002886500000000, -0.0011016600000000, 0.0000010000000000 ] - [ -0.0007644900000000, -0.0005492200000000, 0.0005502700000000 ] - [ 0.0007631100000000, -0.0005425900000000, -0.0005464400000000 ] - [ -0.0000427900000000, 0.0012369700000000, -0.0003721400000000 ] - [ 0.0000448600000000, 0.0012392200000000, 0.0003746700000000 ] - [ 0.0000427900000000, 0.0012369700000000, -0.0003721400000000 ] - [ -0.0000448600000000, 0.0012392200000000, 0.0003746700000000 ] - [ 0.0007644900000000, -0.0005492200000000, 0.0005502700000000 ] - [ -0.0007631100000000, -0.0005425900000000, -0.0005464400000000 ] - [ -0.0009957500000000, -0.0004813700000000, 0.0000029700000000 ] - [ 0.0016872000000000, -0.0010505600000000, 0.0000848900000000 ] - [ -0.0018916000000000, 0.0039102700000000, 0.0000370900000000 ] - [ 0.0009957500000000, -0.0004813700000000, 0.0000029700000000 ] - [ -0.0001305700000000, 0.0003065800000000, -0.0000041000000000 ] - [ 0.0001305700000000, 0.0003065800000000, -0.0000041000000000 ] - [ 0.0018916000000000, 0.0039102700000000, 0.0000370900000000 ] - [ -0.0016872000000000, -0.0010505600000000, 0.0000848900000000 ] - [ 0.0000000000000000, -0.0008319800000000, 0.0001612200000000 ] - [ 0.0037082300000000, -0.0006436400000000, -0.0027795600000000 ] - [ -0.0037082300000000, -0.0006436400000000, -0.0027795600000000 ] - [ 0.0000000000000000, -0.0008331500000000, -0.0001522300000000 ] - [ 0.0000000000000000, 0.0000152100000000, 0.0003601200000000 ] - [ 0.0000000000000000, 0.0000159600000000, -0.0003690200000000 ] - [ 0.0047981800000000, -0.0011838800000000, 0.0035088500000000 ] - [ -0.0047981800000000, -0.0011838800000000, 0.0035088500000000 ] - [ 0.0006709300000000, -0.0008678000000000, 0.0000002600000000 ] - [ -0.0000690900000000, -0.0037625700000000, -0.0001346900000000 ] - [ -0.0006709300000000, -0.0008678000000000, 0.0000002600000000 ] - [ 0.0000690900000000, -0.0037625700000000, -0.0001346900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0124308100000000, -0.0013654700000000, 0.0007603300000000 ] - [ -0.0019423800000000, 0.0014248700000000, -0.0002765800000000 ] - [ -0.0007757900000000, 0.0014373100000000, -0.0000003300000000 ] - [ -0.0124308100000000, -0.0013654700000000, 0.0007603300000000 ] - [ -0.0010405800000000, 0.0009581800000000, -0.0000000400000000 ] - [ 0.0010405800000000, 0.0009581800000000, -0.0000000400000000 ] - [ 0.0007757900000000, 0.0014373100000000, -0.0000003300000000 ] - [ 0.0019423800000000, 0.0014248700000000, -0.0002765800000000 ] - [ 0.0000000000000000, -0.1337123400000000, 0.1732234100000000 ] - [ -0.0012435200000000, 0.0007471000000000, 0.0000001500000000 ] - [ 0.0012435200000000, 0.0007471000000000, 0.0000001500000000 ] - [ 0.0000000000000000, 0.0040937100000000, -0.0000183100000000 ] - [ 0.0000000000000000, -0.1236692900000000, 0.1584638500000000 ] - [ -0.0007142300000000, 0.0019302100000000, 0.0000004300000000 ] - [ 0.0007142300000000, 0.0019302100000000, 0.0000004300000000 ] - [ 0.0000000000000000, 0.0026288000000000, 0.0000100500000000 ] - [ 0.0002487300000000, 0.0013390900000000, -0.0000015700000000 ] - [ -0.0002829200000000, 0.0014306300000000, -0.0000000900000000 ] - [ -0.0015424200000000, -0.0039840500000000, 0.0000043400000000 ] - [ -0.0002487300000000, 0.0013390900000000, -0.0000015700000000 ] - [ -0.0007394400000000, -0.0019219700000000, -0.0000042700000000 ] - [ 0.0007394400000000, -0.0019219700000000, -0.0000042700000000 ] - [ 0.0015424200000000, -0.0039840500000000, 0.0000043400000000 ] - [ 0.0002829200000000, 0.0014306300000000, -0.0000000900000000 ] - [ 0.0000000000000000, 0.0002533700000000, -0.0000014900000000 ] - [ -0.0081389000000000, 0.0070746900000000, 0.0012596200000000 ] - [ 0.0081389000000000, 0.0070746900000000, 0.0012596200000000 ] - [ 0.0000000000000000, 0.0010010400000000, -0.0000012700000000 ] - [ 0.0000000000000000, 0.0006929500000000, -0.0000000800000000 ] - [ -0.0039320200000000, -0.0015299200000000, -0.0003111700000000 ] - [ 0.0039320200000000, -0.0015299200000000, -0.0003111700000000 ] - [ 0.0000000000000000, 0.0001000200000000, 0.0000003100000000 ] - [ -0.0030435700000000, 0.0030702000000000, -0.0000188800000000 ] - [ 0.0013683100000000, 0.0007574200000000, 0.0000587000000000 ] - [ 0.0030435700000000, 0.0030702000000000, -0.0000188800000000 ] - [ -0.0013683100000000, 0.0007574200000000, 0.0000587000000000 ] - [ -0.0030890400000000, -0.0005421100000000, 0.0020025600000000 ] - [ 0.0023422000000000, -0.0003161100000000, -0.0015400300000000 ] - [ 0.0001167500000000, -0.0008843900000000, 0.0004013300000000 ] - [ -0.0001170000000000, -0.0008847300000000, -0.0004018700000000 ] - [ -0.0001167500000000, -0.0008843900000000, 0.0004013300000000 ] - [ 0.0001170000000000, -0.0008847300000000, -0.0004018700000000 ] - [ 0.0030890400000000, -0.0005421100000000, 0.0020025600000000 ] - [ -0.0023422000000000, -0.0003161100000000, -0.0015400300000000 ] - [ -0.0157571200000000, -0.0130419900000000, 0.0088421700000000 ] - [ 0.0008574700000000, -0.0011381600000000, 0.0000342100000000 ] - [ 0.0001458800000000, -0.0017400600000000, -0.0000007800000000 ] - [ 0.0157571200000000, -0.0130419900000000, 0.0088421700000000 ] - [ 0.0003960900000000, -0.0009256900000000, -0.0000046600000000 ] - [ -0.0003960900000000, -0.0009256900000000, -0.0000046600000000 ] - [ -0.0001458800000000, -0.0017400600000000, -0.0000007800000000 ] - [ -0.0008574700000000, -0.0011381600000000, 0.0000342100000000 ] - [ 0.0000000000000000, 0.2990692100000000, -0.4599598700000000 ] - [ 0.0002315400000000, -0.0004067100000000, -0.0004808100000000 ] - [ -0.0002315400000000, -0.0004067100000000, -0.0004808100000000 ] - [ 0.0000000000000000, 0.0139939800000000, 0.0899818800000000 ] - [ 0.0000000000000000, -0.0013722200000000, 0.0012675800000000 ] - [ 0.0000000000000000, -0.0013944300000000, -0.0012994700000000 ] - [ 0.0002333300000000, -0.0004074700000000, 0.0004812000000000 ] - [ -0.0002333300000000, -0.0004074700000000, 0.0004812000000000 ] - [ 0.0127854000000000, -0.0177559200000000, 0.0079693600000000 ] - [ 0.0001154500000000, -0.0003515300000000, -0.0000006100000000 ] - [ -0.0127854000000000, -0.0177559200000000, 0.0079693600000000 ] - [ -0.0001154500000000, -0.0003515300000000, -0.0000006100000000 ] - [ 0.0000904900000000, -0.0005970800000000, 0.0000001200000000 ] - [ 0.0002121900000000, -0.0006530400000000, 0.0000001700000000 ] - [ -0.0000904900000000, -0.0005970800000000, 0.0000001200000000 ] - [ -0.0002121900000000, -0.0006530400000000, 0.0000001700000000 ] - [ -0.0005515600000000, -0.0002401400000000, 0.0003317200000000 ] - [ 0.0005507100000000, -0.0002355100000000, -0.0003302700000000 ] - [ -0.0000425300000000, 0.0006567900000000, -0.0001407600000000 ] - [ 0.0000498500000000, 0.0006564000000000, 0.0001449000000000 ] - [ 0.0000425300000000, 0.0006567900000000, -0.0001407600000000 ] - [ -0.0000498500000000, 0.0006564000000000, 0.0001449000000000 ] - [ 0.0005515600000000, -0.0002401400000000, 0.0003317200000000 ] - [ -0.0005507100000000, -0.0002355100000000, -0.0003302700000000 ] - [ -0.0007601400000000, -0.0002572000000000, 0.0000023600000000 ] - [ 0.0010733100000000, -0.0004497200000000, 0.0000581400000000 ] - [ -0.0011422200000000, 0.0023327800000000, 0.0000318000000000 ] - [ 0.0007601400000000, -0.0002572000000000, 0.0000023600000000 ] - [ -0.0002071000000000, 0.0001318800000000, -0.0000039300000000 ] - [ 0.0002071000000000, 0.0001318800000000, -0.0000039300000000 ] - [ 0.0011422200000000, 0.0023327800000000, 0.0000318000000000 ] - [ -0.0010733100000000, -0.0004497200000000, 0.0000581400000000 ] - [ 0.0000000000000000, -0.0005089600000000, -0.0000351100000000 ] - [ 0.0024269600000000, -0.0003955400000000, -0.0022624000000000 ] - [ -0.0024269600000000, -0.0003955400000000, -0.0022624000000000 ] - [ 0.0000000000000000, -0.0005101600000000, 0.0000430900000000 ] - [ 0.0000000000000000, -0.0000122300000000, 0.0003661000000000 ] - [ 0.0000000000000000, -0.0000111300000000, -0.0003760500000000 ] - [ 0.0031514200000000, -0.0007148800000000, 0.0027165500000000 ] - [ -0.0031514200000000, -0.0007148800000000, 0.0027165500000000 ] - [ 0.0004468600000000, -0.0004893500000000, -0.0000002900000000 ] - [ -0.0000338000000000, -0.0030399400000000, -0.0001531500000000 ] - [ -0.0004468600000000, -0.0004893500000000, -0.0000002900000000 ] - [ 0.0000338000000000, -0.0030399400000000, -0.0001531500000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0129056600000000, 0.0022428200000000, -0.0007645200000000 ] - [ 0.0028150400000000, -0.0009536600000000, 0.0002763800000000 ] - [ -0.0000979300000000, -0.0019075900000000, 0.0000011600000000 ] - [ 0.0129056600000000, 0.0022428200000000, -0.0007645200000000 ] - [ 0.0005691300000000, -0.0018316900000000, 0.0000003600000000 ] - [ -0.0005691300000000, -0.0018316900000000, 0.0000003600000000 ] - [ 0.0000979300000000, -0.0019075900000000, 0.0000011600000000 ] - [ -0.0028150400000000, -0.0009536600000000, 0.0002763800000000 ] - [ 0.0000000000000000, 0.1239130100000000, -0.1638355100000000 ] - [ -0.0003746900000000, -0.0007464700000000, 0.0000008300000000 ] - [ 0.0003746900000000, -0.0007464700000000, 0.0000008300000000 ] - [ 0.0000000000000000, -0.0024732700000000, 0.0000205700000000 ] - [ 0.0000000000000000, 0.1312700100000000, -0.1676544600000000 ] - [ 0.0003105700000000, -0.0019303400000000, -0.0000006100000000 ] - [ -0.0003105700000000, -0.0019303400000000, -0.0000006100000000 ] - [ 0.0000000000000000, -0.0022252000000000, -0.0000111200000000 ] - [ -0.0007200500000000, -0.0004660400000000, 0.0000009500000000 ] - [ 0.0011557700000000, -0.0009597000000000, 0.0000012900000000 ] - [ 0.0006678500000000, 0.0035121200000000, -0.0000039900000000 ] - [ 0.0007200500000000, -0.0004660400000000, 0.0000009500000000 ] - [ 0.0002686100000000, 0.0010481200000000, 0.0000045000000000 ] - [ -0.0002686100000000, 0.0010481200000000, 0.0000045000000000 ] - [ -0.0006678500000000, 0.0035121200000000, -0.0000039900000000 ] - [ -0.0011557700000000, -0.0009597000000000, 0.0000012900000000 ] - [ 0.0000000000000000, -0.0018721200000000, 0.0000007900000000 ] - [ 0.0065226000000000, -0.0070861600000000, -0.0012657500000000 ] - [ -0.0065226000000000, -0.0070861600000000, -0.0012657500000000 ] - [ 0.0000000000000000, 0.0006159100000000, 0.0000003700000000 ] - [ 0.0000000000000000, -0.0010958300000000, 0.0000017900000000 ] - [ 0.0035291400000000, 0.0015281100000000, 0.0003129800000000 ] - [ -0.0035291400000000, 0.0015281100000000, 0.0003129800000000 ] - [ 0.0000000000000000, 0.0003038200000000, 0.0000014000000000 ] - [ 0.0030923500000000, -0.0030249200000000, 0.0000243900000000 ] - [ -0.0013209100000000, -0.0008052700000000, -0.0000587300000000 ] - [ -0.0030923500000000, -0.0030249200000000, 0.0000243900000000 ] - [ 0.0013209100000000, -0.0008052700000000, -0.0000587300000000 ] - [ 0.0026697700000000, 0.0009586300000000, -0.0020033300000000 ] - [ -0.0019272900000000, 0.0007350700000000, 0.0015445000000000 ] - [ -0.0005351600000000, 0.0004659900000000, -0.0004004500000000 ] - [ 0.0005352400000000, 0.0004655800000000, 0.0004027400000000 ] - [ 0.0005351600000000, 0.0004659900000000, -0.0004004500000000 ] - [ -0.0005352400000000, 0.0004655800000000, 0.0004027400000000 ] - [ -0.0026697700000000, 0.0009586300000000, -0.0020033300000000 ] - [ 0.0019272900000000, 0.0007350700000000, 0.0015445000000000 ] - [ 0.0150598300000000, 0.0133357100000000, -0.0087594800000000 ] - [ -0.0006982800000000, 0.0019030700000000, -0.0000335200000000 ] - [ -0.0003056200000000, 0.0009735600000000, 0.0000010400000000 ] - [ -0.0150598300000000, 0.0133357100000000, -0.0087594800000000 ] - [ -0.0011613700000000, 0.0007667000000000, -0.0000002200000000 ] - [ 0.0011613700000000, 0.0007667000000000, -0.0000002200000000 ] - [ 0.0003056200000000, 0.0009735600000000, 0.0000010400000000 ] - [ 0.0006982800000000, 0.0019030700000000, -0.0000335200000000 ] - [ 0.0000000000000000, -0.2988935500000000, 0.4590323600000000 ] - [ -0.0002486500000000, 0.0004067400000000, -0.0002044000000000 ] - [ 0.0002486500000000, 0.0004067400000000, -0.0002044000000000 ] - [ 0.0000000000000000, -0.0140103700000000, -0.0892756400000000 ] - [ 0.0000000000000000, 0.0013869700000000, -0.0005894500000000 ] - [ 0.0000000000000000, 0.0014128500000000, 0.0006047700000000 ] - [ -0.0002506200000000, 0.0004064800000000, 0.0002048000000000 ] - [ 0.0002506200000000, 0.0004064800000000, 0.0002048000000000 ] - [ -0.0125088600000000, 0.0178553900000000, -0.0080395900000000 ] - [ 0.0000978700000000, 0.0001379200000000, 0.0000009400000000 ] - [ 0.0125088600000000, 0.0178553900000000, -0.0080395900000000 ] - [ -0.0000978700000000, 0.0001379200000000, 0.0000009400000000 ] - [ -0.0000429400000000, 0.0006445200000000, 0.0000009900000000 ] - [ -0.0001638900000000, 0.0006045800000000, -0.0000004400000000 ] - [ 0.0000429400000000, 0.0006445200000000, 0.0000009900000000 ] - [ 0.0001638900000000, 0.0006045800000000, -0.0000004400000000 ] - [ 0.0001332800000000, 0.0006576500000000, -0.0003317800000000 ] - [ -0.0001319700000000, 0.0006542900000000, 0.0003302600000000 ] - [ -0.0003757900000000, -0.0010750400000000, 0.0001419200000000 ] - [ 0.0003685700000000, -0.0010754100000000, -0.0001438800000000 ] - [ 0.0003757900000000, -0.0010750400000000, 0.0001419200000000 ] - [ -0.0003685700000000, -0.0010754100000000, -0.0001438800000000 ] - [ -0.0001332800000000, 0.0006576500000000, -0.0003317800000000 ] - [ 0.0001319700000000, 0.0006542900000000, 0.0003302600000000 ] - [ -0.0000051800000000, 0.0004151800000000, 0.0000035100000000 ] - [ -0.0009133900000000, 0.0012150400000000, -0.0000577800000000 ] - [ 0.0009821500000000, -0.0030982400000000, -0.0000313000000000 ] - [ 0.0000051800000000, 0.0004151800000000, 0.0000035100000000 ] - [ -0.0005584800000000, -0.0002908100000000, -0.0000012100000000 ] - [ 0.0005584800000000, -0.0002908100000000, -0.0000012100000000 ] - [ -0.0009821500000000, -0.0030982400000000, -0.0000313000000000 ] - [ 0.0009133900000000, 0.0012150400000000, -0.0000577800000000 ] - [ 0.0000000000000000, 0.0004927300000000, -0.0006411200000000 ] - [ -0.0024404500000000, 0.0003950200000000, 0.0015728200000000 ] - [ 0.0024404500000000, 0.0003950200000000, 0.0015728200000000 ] - [ 0.0000000000000000, 0.0004918100000000, 0.0006518300000000 ] - [ 0.0000000000000000, 0.0000276900000000, 0.0003110800000000 ] - [ 0.0000000000000000, 0.0000288600000000, -0.0003183300000000 ] - [ -0.0031693500000000, 0.0007146200000000, -0.0020295200000000 ] - [ 0.0031693500000000, 0.0007146200000000, -0.0020295200000000 ] - [ -0.0002342900000000, 0.0007011600000000, 0.0000010000000000 ] - [ 0.0002456300000000, 0.0028206300000000, 0.0001534600000000 ] - [ 0.0002342900000000, 0.0007011600000000, 0.0000010000000000 ] - [ -0.0002456300000000, 0.0028206300000000, 0.0001534600000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0109106700000000, -0.0034489200000000, 0.0000000000000000 ] - [ -0.0025322700000000, 0.0031287000000000, 0.0000000000000000 ] - [ -0.0000778900000000, 0.0022428000000000, 0.0000000000000000 ] - [ -0.0050356600000000, 0.0033183400000000, 0.0000000000000000 ] - [ 0.0028148500000000, 0.0031850800000000, 0.0000000000000000 ] - [ 0.0025069900000000, -0.0012757500000000, 0.0000000000000000 ] - [ 0.0004393500000000, 0.0003689600000000, 0.0000000000000000 ] - [ 0.0020885400000000, -0.0002090400000000, 0.0000000000000000 ] - [ 0.1930779500000000, -0.1125666500000000, 0.0000000000000000 ] - [ -0.0029194000000000, 0.0007842300000000, 0.0000000000000000 ] - [ -0.0001902300000000, 0.0006504200000000, 0.0000000000000000 ] - [ 0.0151945200000000, -0.0003923100000000, 0.0000000000000000 ] - [ 0.0073361100000000, 0.0135498900000000, 0.0000000000000000 ] - [ -0.0018968300000000, 0.0021120300000000, 0.0000000000000000 ] - [ -0.0002014500000000, 0.0014107800000000, 0.0000000000000000 ] - [ 0.0035925800000000, 0.0005600800000000, 0.0000000000000000 ] - [ -0.0027653900000000, -0.0006831000000000, 0.0000000000000000 ] - [ -0.0009924900000000, 0.0100977000000000, 0.0000000000000000 ] - [ -0.0047901200000000, 0.0006209700000000, 0.0000000000000000 ] - [ -0.0030436400000000, 0.0041999500000000, 0.0000000000000000 ] - [ -0.0044764800000000, 0.0006918900000000, 0.0000000000000000 ] - [ -0.0027881200000000, -0.0048493700000000, 0.0000000000000000 ] - [ -0.0005087100000000, -0.0109974800000000, 0.0000000000000000 ] - [ -0.0015106700000000, -0.0038254600000000, 0.0000000000000000 ] - [ -0.0016710400000000, 0.0003562400000000, 0.0000000000000000 ] - [ 0.1136003900000000, -0.1145731200000000, 0.0000000000000000 ] - [ -0.0074081900000000, -0.0240543000000000, 0.0000000000000000 ] - [ -0.0018040600000000, 0.0008814500000000, 0.0000000000000000 ] - [ -0.0036194400000000, 0.0008384500000000, 0.0000000000000000 ] - [ -0.0177394600000000, -0.0038419600000000, 0.0000000000000000 ] - [ -0.0057753500000000, -0.0022254400000000, 0.0000000000000000 ] - [ -0.0042710500000000, -0.0000300000000000, 0.0000000000000000 ] - [ -0.0039421200000000, 0.0058555400000000, 0.0000000000000000 ] - [ 0.0016773900000000, -0.0002003800000000, 0.0000000000000000 ] - [ 0.0024633500000000, -0.0002826400000000, 0.0000000000000000 ] - [ -0.0010928500000000, 0.0018662100000000, 0.0000000000000000 ] - [ -0.0024439200000000, 0.0005738600000000, 0.0006348600000000 ] - [ 0.0019592200000000, -0.0013358800000000, -0.0013383100000000 ] - [ -0.0005490900000000, -0.0013596800000000, 0.0004322600000000 ] - [ -0.0001589700000000, -0.0002273900000000, -0.0000935500000000 ] - [ -0.0001589700000000, -0.0002273900000000, 0.0000935500000000 ] - [ -0.0005490900000000, -0.0013596800000000, -0.0004322600000000 ] - [ 0.0019592200000000, -0.0013358800000000, 0.0013383100000000 ] - [ -0.0024439200000000, 0.0005738600000000, -0.0006348600000000 ] - [ -0.0100071400000000, -0.0038672900000000, 0.0000000000000000 ] - [ 0.0012150600000000, -0.0019922500000000, 0.0000000000000000 ] - [ 0.0001885300000000, -0.0019983800000000, 0.0000000000000000 ] - [ 0.0044918600000000, -0.0042866000000000, 0.0000000000000000 ] - [ -0.0027948600000000, -0.0001148800000000, 0.0000000000000000 ] - [ -0.0018646800000000, -0.0006582800000000, 0.0000000000000000 ] - [ 0.0001542700000000, -0.0011511800000000, 0.0000000000000000 ] - [ -0.0005497000000000, -0.0000670900000000, 0.0000000000000000 ] - [ 0.0023995700000000, -0.0162983400000000, 0.0122573400000000 ] - [ 0.0009713600000000, -0.0004428600000000, -0.0009404700000000 ] - [ 0.0003576800000000, -0.0003111400000000, -0.0001026700000000 ] - [ 0.0023995700000000, -0.0162983400000000, -0.0122573400000000 ] - [ -0.0026523600000000, -0.0001635000000000, 0.0004761100000000 ] - [ -0.0026523600000000, -0.0001635000000000, -0.0004761100000000 ] - [ 0.0009713600000000, -0.0004428600000000, 0.0009404700000000 ] - [ 0.0003576800000000, -0.0003111400000000, 0.0001026700000000 ] - [ -0.3651112900000000, 0.2982693900000000, 0.0000000000000000 ] - [ 0.0011870800000000, 0.0000971500000000, 0.0000000000000000 ] - [ 0.0358458000000000, 0.0080030000000000, 0.0000000000000000 ] - [ 0.0008523700000000, -0.0006859600000000, 0.0000000000000000 ] - [ 0.0004741300000000, 0.0000783600000000, 0.0000000000000000 ] - [ -0.0018246100000000, -0.0038028700000000, 0.0000000000000000 ] - [ -0.0002770200000000, -0.0017398800000000, 0.0000000000000000 ] - [ -0.0007606400000000, 0.0014440000000000, 0.0000000000000000 ] - [ 0.0007207400000000, 0.0012678800000000, -0.0007516500000000 ] - [ 0.0017405800000000, -0.0024401100000000, -0.0016670800000000 ] - [ 0.0016306600000000, -0.0009381800000000, 0.0010467800000000 ] - [ 0.0015749100000000, 0.0026890700000000, 0.0014496700000000 ] - [ 0.0015749100000000, 0.0026890700000000, -0.0014496700000000 ] - [ 0.0016306600000000, -0.0009381800000000, -0.0010467800000000 ] - [ 0.0017405800000000, -0.0024401100000000, 0.0016670800000000 ] - [ 0.0007207400000000, 0.0012678800000000, 0.0007516500000000 ] - [ 0.0019107900000000, 0.0005510900000000, 0.0000000000000000 ] - [ 0.0065637500000000, -0.0079737100000000, 0.0000000000000000 ] - [ 0.0017182000000000, -0.0009957300000000, 0.0000000000000000 ] - [ 0.0034276900000000, -0.0012447200000000, 0.0000000000000000 ] - [ 0.0029557400000000, -0.0008514900000000, 0.0000000000000000 ] - [ 0.0033794800000000, 0.0012232900000000, 0.0000000000000000 ] - [ 0.0048192300000000, 0.0076523200000000, 0.0000000000000000 ] - [ 0.0021640200000000, 0.0040580900000000, 0.0000000000000000 ] - [ 0.0008028500000000, -0.0005634500000000, -0.0000063000000000 ] - [ 0.0178286700000000, -0.0153753800000000, -0.0182441300000000 ] - [ 0.0036434800000000, 0.0033548400000000, 0.0025734200000000 ] - [ 0.0008028500000000, -0.0005634500000000, 0.0000063000000000 ] - [ 0.0009270700000000, 0.0000413800000000, 0.0003374000000000 ] - [ 0.0009270700000000, 0.0000413800000000, -0.0003374000000000 ] - [ 0.0178286700000000, -0.0153753800000000, 0.0182441300000000 ] - [ 0.0036434800000000, 0.0033548400000000, -0.0025734200000000 ] - [ 0.0014777000000000, -0.0009488500000000, 0.0000000000000000 ] - [ -0.0151487500000000, -0.0078732100000000, 0.0000000000000000 ] - [ 0.0004910700000000, -0.0000942200000000, 0.0000000000000000 ] - [ -0.0071327900000000, 0.0087638900000000, 0.0000000000000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0114193600000000, 0.0043424100000000, 0.0000000000000000 ] - [ 0.0034231400000000, -0.0026566100000000, 0.0000000000000000 ] - [ -0.0007961400000000, -0.0027403100000000, 0.0000000000000000 ] - [ 0.0055251100000000, -0.0024489200000000, 0.0000000000000000 ] - [ -0.0032888300000000, -0.0040821000000000, 0.0000000000000000 ] - [ -0.0020479900000000, 0.0003935400000000, 0.0000000000000000 ] - [ 0.0004381000000000, -0.0008594000000000, 0.0000000000000000 ] - [ -0.0029760900000000, 0.0006925400000000, 0.0000000000000000 ] - [ -0.2019653600000000, 0.1189218200000000, 0.0000000000000000 ] - [ 0.0012957300000000, -0.0007866800000000, 0.0000000000000000 ] - [ 0.0018201900000000, -0.0006553600000000, 0.0000000000000000 ] - [ -0.0153880900000000, 0.0019637500000000, 0.0000000000000000 ] - [ -0.0073469900000000, -0.0139707600000000, 0.0000000000000000 ] - [ 0.0014926200000000, -0.0021234300000000, 0.0000000000000000 ] - [ 0.0006109600000000, -0.0014207600000000, 0.0000000000000000 ] - [ -0.0036015700000000, -0.0001915500000000, 0.0000000000000000 ] - [ 0.0022829900000000, 0.0015750100000000, 0.0000000000000000 ] - [ 0.0018915500000000, -0.0096097000000000, 0.0000000000000000 ] - [ 0.0039206700000000, -0.0011134700000000, 0.0000000000000000 ] - [ 0.0035425200000000, -0.0033208700000000, 0.0000000000000000 ] - [ 0.0040035300000000, -0.0015839200000000, 0.0000000000000000 ] - [ 0.0032804700000000, 0.0039681700000000, 0.0000000000000000 ] - [ 0.0013988300000000, 0.0105222600000000, 0.0000000000000000 ] - [ 0.0006229500000000, 0.0043360900000000, 0.0000000000000000 ] - [ 0.0016790400000000, -0.0019867800000000, 0.0000000000000000 ] - [ -0.1133246400000000, 0.1094806800000000, 0.0000000000000000 ] - [ 0.0090630700000000, 0.0242614600000000, 0.0000000000000000 ] - [ 0.0018096200000000, 0.0007394000000000, 0.0000000000000000 ] - [ 0.0036283700000000, -0.0012451600000000, 0.0000000000000000 ] - [ 0.0173530900000000, 0.0038377100000000, 0.0000000000000000 ] - [ 0.0062096100000000, 0.0022380400000000, 0.0000000000000000 ] - [ 0.0042815500000000, 0.0004326800000000, 0.0000000000000000 ] - [ 0.0039957200000000, -0.0058137500000000, 0.0000000000000000 ] - [ -0.0016271800000000, 0.0001511700000000, 0.0000000000000000 ] - [ -0.0025195100000000, 0.0003420300000000, 0.0000000000000000 ] - [ 0.0010425000000000, -0.0019172100000000, 0.0000000000000000 ] - [ 0.0020352100000000, -0.0001599400000000, -0.0006366100000000 ] - [ -0.0015487300000000, 0.0017554900000000, 0.0013420200000000 ] - [ 0.0001311600000000, 0.0009518900000000, -0.0004360200000000 ] - [ 0.0005793200000000, -0.0001833300000000, 0.0000971100000000 ] - [ 0.0005793200000000, -0.0001833300000000, -0.0000971100000000 ] - [ 0.0001311600000000, 0.0009518900000000, 0.0004360200000000 ] - [ -0.0015487300000000, 0.0017554900000000, -0.0013420200000000 ] - [ 0.0020352100000000, -0.0001599400000000, 0.0006366100000000 ] - [ 0.0092859100000000, 0.0040432900000000, 0.0000000000000000 ] - [ -0.0010545600000000, 0.0027526500000000, 0.0000000000000000 ] - [ -0.0003539000000000, 0.0012575200000000, 0.0000000000000000 ] - [ -0.0037492200000000, 0.0044597600000000, 0.0000000000000000 ] - [ 0.0020380100000000, -0.0000389900000000, 0.0000000000000000 ] - [ 0.0026372400000000, 0.0005074100000000, 0.0000000000000000 ] - [ 0.0000130600000000, 0.0004068900000000, 0.0000000000000000 ] - [ 0.0003892900000000, 0.0008220600000000, 0.0000000000000000 ] - [ -0.0023802100000000, 0.0164299000000000, -0.0130384000000000 ] - [ -0.0009721300000000, 0.0004454100000000, 0.0002502100000000 ] - [ -0.0003619600000000, 0.0003132700000000, -0.0005920400000000 ] - [ -0.0023802100000000, 0.0164299000000000, 0.0130384000000000 ] - [ 0.0026782700000000, 0.0001861000000000, 0.0001961100000000 ] - [ 0.0026782700000000, 0.0001861000000000, -0.0001961100000000 ] - [ -0.0009721300000000, 0.0004454100000000, -0.0002502100000000 ] - [ -0.0003619600000000, 0.0003132700000000, 0.0005920400000000 ] - [ 0.3727824800000000, -0.3010395000000000, 0.0000000000000000 ] - [ -0.0009715800000000, -0.0003101900000000, 0.0000000000000000 ] - [ -0.0367868800000000, -0.0078236300000000, 0.0000000000000000 ] - [ -0.0010738000000000, 0.0004728900000000, 0.0000000000000000 ] - [ -0.0004202500000000, -0.0000286900000000, 0.0000000000000000 ] - [ 0.0018677600000000, 0.0037531800000000, 0.0000000000000000 ] - [ 0.0002199500000000, 0.0017941800000000, 0.0000000000000000 ] - [ 0.0007192000000000, -0.0015072600000000, 0.0000000000000000 ] - [ -0.0011346900000000, -0.0008602200000000, 0.0007539300000000 ] - [ -0.0013320000000000, 0.0028551000000000, 0.0016693800000000 ] - [ -0.0020504100000000, 0.0005290400000000, -0.0010509200000000 ] - [ -0.0011638200000000, -0.0031056400000000, -0.0014528100000000 ] - [ -0.0011638200000000, -0.0031056400000000, 0.0014528100000000 ] - [ -0.0020504100000000, 0.0005290400000000, 0.0010509200000000 ] - [ -0.0013320000000000, 0.0028551000000000, -0.0016693800000000 ] - [ -0.0011346900000000, -0.0008602200000000, -0.0007539300000000 ] - [ -0.0026645900000000, -0.0003908400000000, 0.0000000000000000 ] - [ -0.0063879600000000, 0.0087147500000000, 0.0000000000000000 ] - [ -0.0018900100000000, 0.0002488400000000, 0.0000000000000000 ] - [ -0.0026864200000000, 0.0014081700000000, 0.0000000000000000 ] - [ -0.0037147100000000, 0.0006926200000000, 0.0000000000000000 ] - [ -0.0026349900000000, -0.0013884500000000, 0.0000000000000000 ] - [ -0.0046624800000000, -0.0084123200000000, 0.0000000000000000 ] - [ -0.0023389200000000, -0.0033302000000000, 0.0000000000000000 ] - [ -0.0008041100000000, 0.0005666400000000, -0.0006870000000000 ] - [ -0.0177206600000000, 0.0151441200000000, 0.0173686500000000 ] - [ -0.0036644900000000, -0.0033853200000000, -0.0032869100000000 ] - [ -0.0008041100000000, 0.0005666400000000, 0.0006870000000000 ] - [ -0.0009287800000000, -0.0000415500000000, 0.0003546200000000 ] - [ -0.0009287800000000, -0.0000415500000000, -0.0003546200000000 ] - [ -0.0177206600000000, 0.0151441200000000, -0.0173686500000000 ] - [ -0.0036644900000000, -0.0033853200000000, 0.0032869100000000 ] - [ -0.0012667000000000, 0.0011657200000000, 0.0000000000000000 ] - [ 0.0153890200000000, 0.0079490600000000, 0.0000000000000000 ] - [ -0.0007097300000000, 0.0003130200000000, 0.0000000000000000 ] - [ 0.0069906600000000, -0.0090459000000000, 0.0000000000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002373700000000, 0.0004309200000000, -0.0003301400000000 ] - [ 0.0004371000000000, 0.0002391200000000, -0.0000194400000000 ] - [ -0.0004362600000000, -0.0002402000000000, -0.0000012400000000 ] - [ 0.0002392900000000, 0.0004382500000000, -0.0000347000000000 ] - [ -0.0002370100000000, -0.0004382200000000, -0.0000025100000000 ] - [ 0.0002377600000000, -0.0004378700000000, -0.0000003200000000 ] - [ 0.0004371600000000, -0.0002394500000000, -0.0000007000000000 ] - [ -0.0004387500000000, 0.0002366900000000, 0.0000429400000000 ] - [ 0.0005370400000000, -0.0011841700000000, 0.0235707600000000 ] - [ -0.0008130200000000, 0.0000009100000000, -0.0000011400000000 ] - [ 0.0008107500000000, -0.0000008000000000, -0.0000006100000000 ] - [ -0.0000175300000000, 0.0008081200000000, 0.0001007600000000 ] - [ 0.0000113700000000, -0.0002032200000000, -0.0144351800000000 ] - [ -0.0002058900000000, -0.0000006600000000, 0.0000000300000000 ] - [ 0.0002049600000000, -0.0000023700000000, -0.0000014500000000 ] - [ 0.0000007100000000, 0.0002031700000000, 0.0000859000000000 ] - [ -0.0002394500000000, 0.0004371600000000, -0.0000007000000000 ] - [ 0.0004382500000000, 0.0002392900000000, -0.0000347000000000 ] - [ -0.0004382200000000, -0.0002370100000000, -0.0000025100000000 ] - [ 0.0002391200000000, 0.0004371000000000, -0.0000194400000000 ] - [ -0.0002402000000000, -0.0004362600000000, -0.0000012400000000 ] - [ 0.0002366900000000, -0.0004387500000000, 0.0000429400000000 ] - [ 0.0004309200000000, -0.0002373700000000, -0.0003301400000000 ] - [ -0.0004378700000000, 0.0002377600000000, -0.0000003200000000 ] - [ 0.0000009100000000, -0.0008130200000000, -0.0000011400000000 ] - [ -0.0011841700000000, 0.0005370400000000, 0.0235707600000000 ] - [ 0.0008081200000000, -0.0000175300000000, 0.0001007600000000 ] - [ -0.0000008000000000, 0.0008107500000000, -0.0000006100000000 ] - [ -0.0000006600000000, -0.0002058900000000, 0.0000000300000000 ] - [ -0.0002032200000000, 0.0000113700000000, -0.0144351800000000 ] - [ 0.0002031700000000, 0.0000007100000000, 0.0000859000000000 ] - [ -0.0000023700000000, 0.0002049600000000, -0.0000014500000000 ] - [ 0.0000278700000000, 0.0000278700000000, 0.0005377800000000 ] - [ 0.0000251300000000, -0.0000249100000000, 0.0000078000000000 ] - [ -0.0000246100000000, 0.0000236800000000, 0.0000470900000000 ] - [ -0.0000232000000000, -0.0000232000000000, -0.0000040600000000 ] - [ -0.0002181300000000, 0.0002047200000000, 0.0000389300000000 ] - [ 0.0001378300000000, 0.0002266500000000, 0.0000508800000000 ] - [ -0.0002094100000000, -0.0002098100000000, 0.0000015500000000 ] - [ 0.0002074900000000, -0.0002077200000000, -0.0000010900000000 ] - [ 0.0002089500000000, -0.0002068200000000, -0.0000019300000000 ] - [ -0.0002073300000000, -0.0002047700000000, 0.0000022400000000 ] - [ 0.0002777500000000, 0.0001886000000000, 0.0000510500000000 ] - [ -0.0001970300000000, 0.0002142700000000, 0.0000405600000000 ] - [ -0.0003820500000000, 0.0000789800000000, 0.0014304400000000 ] - [ 0.0000792000000000, 0.0003799000000000, 0.0000052900000000 ] - [ -0.0000790500000000, -0.0003783600000000, -0.0000037600000000 ] - [ 0.0003778800000000, 0.0000796200000000, 0.0023477400000000 ] - [ -0.0003812000000000, -0.0000783900000000, -0.0000077700000000 ] - [ 0.0003809700000000, -0.0000782700000000, -0.0000301800000000 ] - [ 0.0000798700000000, -0.0003791600000000, 0.0000017300000000 ] - [ -0.0000779700000000, 0.0003817900000000, -0.0000078400000000 ] - [ 0.0092352200000000, -0.0152552600000000, 0.0076651500000000 ] - [ -0.0000057900000000, 0.0000004800000000, -0.0003399500000000 ] - [ 0.0000076200000000, 0.0000007500000000, -0.0003487400000000 ] - [ -0.0093183800000000, 0.0153638100000000, 0.0083543000000000 ] - [ 0.0001581600000000, 0.0001425900000000, 0.0001826200000000 ] - [ -0.0001549400000000, -0.0001248100000000, -0.0004983900000000 ] - [ -0.0000067500000000, -0.0000000500000000, 0.0003472100000000 ] - [ 0.0000066100000000, 0.0000003000000000, 0.0003380600000000 ] - [ -0.0001154700000000, -0.0001154700000000, -0.0458853500000000 ] - [ 0.0001072200000000, -0.0001058700000000, -0.0000007700000000 ] - [ -0.0000884500000000, 0.0001051900000000, -0.0058386100000000 ] - [ -0.0001065100000000, -0.0001065100000000, -0.0000010000000000 ] - [ 0.0000244100000000, 0.0000244100000000, -0.0000003800000000 ] - [ 0.0000236800000000, -0.0000246100000000, 0.0000470900000000 ] - [ -0.0000249100000000, 0.0000251300000000, 0.0000078000000000 ] - [ -0.0000245200000000, -0.0000245200000000, -0.0000025400000000 ] - [ -0.0002068200000000, 0.0002089500000000, -0.0000019300000000 ] - [ 0.0001886000000000, 0.0002777500000000, 0.0000510500000000 ] - [ -0.0002047700000000, -0.0002073300000000, 0.0000022400000000 ] - [ 0.0002142700000000, -0.0001970300000000, 0.0000405600000000 ] - [ 0.0002047200000000, -0.0002181300000000, 0.0000389300000000 ] - [ -0.0002098100000000, -0.0002094100000000, 0.0000015500000000 ] - [ 0.0002266500000000, 0.0001378300000000, 0.0000508800000000 ] - [ -0.0002077200000000, 0.0002074900000000, -0.0000010900000000 ] - [ -0.0003791600000000, 0.0000798700000000, 0.0000017300000000 ] - [ 0.0000796200000000, 0.0003778800000000, 0.0023477400000000 ] - [ -0.0000783900000000, -0.0003812000000000, -0.0000077700000000 ] - [ 0.0003799000000000, 0.0000792000000000, 0.0000052900000000 ] - [ -0.0003783600000000, -0.0000790500000000, -0.0000037600000000 ] - [ 0.0003817900000000, -0.0000779700000000, -0.0000078400000000 ] - [ 0.0000789800000000, -0.0003820500000000, 0.0014304400000000 ] - [ -0.0000782700000000, 0.0003809700000000, -0.0000301800000000 ] - [ 0.0000004800000000, -0.0000057900000000, -0.0003399500000000 ] - [ -0.0152552600000000, 0.0092352200000000, 0.0076651500000000 ] - [ -0.0001248100000000, -0.0001549400000000, -0.0004983900000000 ] - [ -0.0000000500000000, -0.0000067500000000, 0.0003472100000000 ] - [ 0.0000003000000000, 0.0000066100000000, 0.0003380600000000 ] - [ 0.0000007500000000, 0.0000076200000000, -0.0003487400000000 ] - [ 0.0153638100000000, -0.0093183800000000, 0.0083543000000000 ] - [ 0.0001425900000000, 0.0001581600000000, 0.0001826200000000 ] - [ 0.0001053100000000, 0.0001053100000000, -0.0000004800000000 ] - [ 0.0001051900000000, -0.0000884500000000, -0.0058386100000000 ] - [ -0.0001058700000000, 0.0001072200000000, -0.0000007700000000 ] - [ -0.0001043400000000, -0.0001043400000000, -0.0002571600000000 ]