# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b2e5b550-66e7-4b9f-b871-c83e20628552/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 Na2ZrSe3 / C2/m (12) / materials id 7219](https://mdr.nims.go.jp/datasets/b95a66f9-ce39-442d-8bad-293b0df85463) ## 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: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 3.441846295000000, -5.977218385000000, 0.002101020000000 ] # a - [ 3.441846295000000, 5.977218385000000, 0.002101020000000 ] # b - [ -2.327436050000000, 0.000000000000000, 6.824959920000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.842919210000000, 0.157080790000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.157080790000000, 0.842919210000000, 0.500000000000000 ] mass: 22.989769 - symbol: Se # 5 coordinates: [ 0.076169070000000, 0.435911410000000, 0.225814650000000 ] mass: 78.960000 - symbol: Se # 6 coordinates: [ 0.284339110000000, 0.284339110000000, 0.776994930000000 ] mass: 78.960000 - symbol: Se # 7 coordinates: [ 0.923830930000000, 0.564088590000000, 0.774185350000000 ] mass: 78.960000 - symbol: Se # 8 coordinates: [ 0.564088590000000, 0.923830930000000, 0.774185350000000 ] mass: 78.960000 - symbol: Se # 9 coordinates: [ 0.435911410000000, 0.076169070000000, 0.225814650000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.715660890000000, 0.715660890000000, 0.223005070000000 ] mass: 78.960000 - symbol: Zr # 11 coordinates: [ 0.331123540000000, 0.668876460000000, 0.000000000000000 ] mass: 91.224000 - symbol: Zr # 12 coordinates: [ 0.668876460000000, 0.331123540000000, 0.000000000000000 ] mass: 91.224000 reciprocal_lattice: # without 2pi - [ 0.145240633730364, -0.083650950625255, 0.049529710186034 ] # a* - [ 0.145240633730364, 0.083650950625255, 0.049529710186034 ] # b* - [ -0.000089422789249, 0.000000000000000, 0.146490512163566 ] # c*unit_cell: lattice: - [ 6.883692590000000, 0.000000000000000, 0.004202040000000 ] # a - [ 0.000000000000000, 11.954436769999999, 0.000000000000000 ] # b - [ -2.327436050000000, 0.000000000000000, 6.824959920000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.000000000000000, 0.157080790000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.500000000000000, 0.342919210000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 7 coordinates: [ 0.500000000000000, 0.657080790000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 8 coordinates: [ 0.000000000000000, 0.842919210000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 4 - symbol: Se # 9 coordinates: [ 0.256040240000000, 0.179871170000000, 0.225814650000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.284339110000000, 0.000000000000000, 0.776994930000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.243959760000000, 0.320128830000000, 0.774185350000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.743959760000000, 0.179871170000000, 0.774185350000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.756040240000000, 0.320128830000000, 0.225814650000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.715660890000000, 0.000000000000000, 0.223005070000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.756040240000000, 0.679871170000000, 0.225814650000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 16 coordinates: [ 0.784339110000000, 0.500000000000000, 0.776994930000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 17 coordinates: [ 0.743959760000000, 0.820128830000000, 0.774185350000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 18 coordinates: [ 0.243959760000000, 0.679871170000000, 0.774185350000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 19 coordinates: [ 0.256040240000000, 0.820128830000000, 0.225814650000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 20 coordinates: [ 0.215660890000000, 0.500000000000000, 0.223005070000000 ] mass: 78.960000 reduced_to: 14 - symbol: Zr # 21 coordinates: [ 0.500000000000000, 0.168876460000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 21 - symbol: Zr # 22 coordinates: [ 0.000000000000000, 0.331123540000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 22 - symbol: Zr # 23 coordinates: [ 0.000000000000000, 0.668876460000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 21 - symbol: Zr # 24 coordinates: [ 0.500000000000000, 0.831123540000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 22supercell: lattice: - [ 13.767385180000000, 0.000000000000000, 0.008404080000000 ] # a - [ 0.000000000000000, 11.954436769999999, 0.000000000000000 ] # b - [ -4.654872100000000, 0.000000000000000, 13.649919840000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 5 coordinates: [ 0.250000000000000, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.750000000000000, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 7 coordinates: [ 0.250000000000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 8 coordinates: [ 0.750000000000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 9 coordinates: [ 0.000000000000000, 0.157080790000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.500000000000000, 0.157080790000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.000000000000000, 0.157080790000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 12 coordinates: [ 0.500000000000000, 0.157080790000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 13 coordinates: [ 0.250000000000000, 0.342919210000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.750000000000000, 0.342919210000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 15 coordinates: [ 0.250000000000000, 0.342919210000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 16 coordinates: [ 0.750000000000000, 0.342919210000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 17 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 18 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 19 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 20 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 21 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 22 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 24 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 25 coordinates: [ 0.250000000000000, 0.657080790000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 26 coordinates: [ 0.750000000000000, 0.657080790000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 27 coordinates: [ 0.250000000000000, 0.657080790000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 28 coordinates: [ 0.750000000000000, 0.657080790000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 29 coordinates: [ 0.000000000000000, 0.842919210000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 30 coordinates: [ 0.500000000000000, 0.842919210000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 31 coordinates: [ 0.000000000000000, 0.842919210000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 32 coordinates: [ 0.500000000000000, 0.842919210000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Se # 33 coordinates: [ 0.128020120000000, 0.179871170000000, 0.112907325000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.628020120000000, 0.179871170000000, 0.112907325000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 35 coordinates: [ 0.128020120000000, 0.179871170000000, 0.612907325000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 36 coordinates: [ 0.628020120000000, 0.179871170000000, 0.612907325000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 37 coordinates: [ 0.142169555000000, 0.000000000000000, 0.388497465000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.642169555000000, 0.000000000000000, 0.388497465000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 39 coordinates: [ 0.142169555000000, 0.000000000000000, 0.888497465000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 40 coordinates: [ 0.642169555000000, 0.000000000000000, 0.888497465000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 41 coordinates: [ 0.121979880000000, 0.320128830000000, 0.387092675000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.621979880000000, 0.320128830000000, 0.387092675000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 43 coordinates: [ 0.121979880000000, 0.320128830000000, 0.887092675000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 44 coordinates: [ 0.621979880000000, 0.320128830000000, 0.887092675000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 45 coordinates: [ 0.371979880000000, 0.179871170000000, 0.387092675000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.871979880000000, 0.179871170000000, 0.387092675000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 47 coordinates: [ 0.371979880000000, 0.179871170000000, 0.887092675000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 48 coordinates: [ 0.871979880000000, 0.179871170000000, 0.887092675000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 49 coordinates: [ 0.378020120000000, 0.320128830000000, 0.112907325000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.878020120000000, 0.320128830000000, 0.112907325000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 51 coordinates: [ 0.378020120000000, 0.320128830000000, 0.612907325000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 52 coordinates: [ 0.878020120000000, 0.320128830000000, 0.612907325000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 53 coordinates: [ 0.357830445000000, 0.000000000000000, 0.111502535000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 54 coordinates: [ 0.857830445000000, 0.000000000000000, 0.111502535000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 55 coordinates: [ 0.357830445000000, 0.000000000000000, 0.611502535000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 56 coordinates: [ 0.857830445000000, 0.000000000000000, 0.611502535000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 57 coordinates: [ 0.378020120000000, 0.679871170000000, 0.112907325000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 58 coordinates: [ 0.878020120000000, 0.679871170000000, 0.112907325000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 59 coordinates: [ 0.378020120000000, 0.679871170000000, 0.612907325000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 60 coordinates: [ 0.878020120000000, 0.679871170000000, 0.612907325000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 61 coordinates: [ 0.392169555000000, 0.500000000000000, 0.388497465000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 62 coordinates: [ 0.892169555000000, 0.500000000000000, 0.388497465000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 63 coordinates: [ 0.392169555000000, 0.500000000000000, 0.888497465000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 64 coordinates: [ 0.892169555000000, 0.500000000000000, 0.888497465000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 65 coordinates: [ 0.371979880000000, 0.820128830000000, 0.387092675000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 66 coordinates: [ 0.871979880000000, 0.820128830000000, 0.387092675000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 67 coordinates: [ 0.371979880000000, 0.820128830000000, 0.887092675000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 68 coordinates: [ 0.871979880000000, 0.820128830000000, 0.887092675000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 69 coordinates: [ 0.121979880000000, 0.679871170000000, 0.387092675000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 70 coordinates: [ 0.621979880000000, 0.679871170000000, 0.387092675000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 71 coordinates: [ 0.121979880000000, 0.679871170000000, 0.887092675000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 72 coordinates: [ 0.621979880000000, 0.679871170000000, 0.887092675000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 73 coordinates: [ 0.128020120000000, 0.820128830000000, 0.112907325000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 74 coordinates: [ 0.628020120000000, 0.820128830000000, 0.112907325000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 75 coordinates: [ 0.128020120000000, 0.820128830000000, 0.612907325000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 76 coordinates: [ 0.628020120000000, 0.820128830000000, 0.612907325000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 77 coordinates: [ 0.107830445000000, 0.500000000000000, 0.111502535000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 78 coordinates: [ 0.607830445000000, 0.500000000000000, 0.111502535000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 79 coordinates: [ 0.107830445000000, 0.500000000000000, 0.611502535000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 80 coordinates: [ 0.607830445000000, 0.500000000000000, 0.611502535000000 ] mass: 78.960000 reduced_to: 53 - symbol: Zr # 81 coordinates: [ 0.250000000000000, 0.168876460000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 81 - symbol: Zr # 82 coordinates: [ 0.750000000000000, 0.168876460000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 81 - symbol: Zr # 83 coordinates: [ 0.250000000000000, 0.168876460000000, 0.500000000000000 ] mass: 91.224000 reduced_to: 81 - symbol: Zr # 84 coordinates: [ 0.750000000000000, 0.168876460000000, 0.500000000000000 ] mass: 91.224000 reduced_to: 81 - symbol: Zr # 85 coordinates: [ 0.000000000000000, 0.331123540000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 85 - symbol: Zr # 86 coordinates: [ 0.500000000000000, 0.331123540000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 85 - symbol: Zr # 87 coordinates: [ 0.000000000000000, 0.331123540000000, 0.500000000000000 ] mass: 91.224000 reduced_to: 85 - symbol: Zr # 88 coordinates: [ 0.500000000000000, 0.331123540000000, 0.500000000000000 ] mass: 91.224000 reduced_to: 85 - symbol: Zr # 89 coordinates: [ 0.000000000000000, 0.668876460000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 81 - symbol: Zr # 90 coordinates: [ 0.500000000000000, 0.668876460000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 81 - symbol: Zr # 91 coordinates: [ 0.000000000000000, 0.668876460000000, 0.500000000000000 ] mass: 91.224000 reduced_to: 81 - symbol: Zr # 92 coordinates: [ 0.500000000000000, 0.668876460000000, 0.500000000000000 ] mass: 91.224000 reduced_to: 81 - symbol: Zr # 93 coordinates: [ 0.250000000000000, 0.831123540000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 85 - symbol: Zr # 94 coordinates: [ 0.750000000000000, 0.831123540000000, 0.000000000000000 ] mass: 91.224000 reduced_to: 85 - symbol: Zr # 95 coordinates: [ 0.250000000000000, 0.831123540000000, 0.500000000000000 ] mass: 91.224000 reduced_to: 85 - symbol: Zr # 96 coordinates: [ 0.750000000000000, 0.831123540000000, 0.500000000000000 ] mass: 91.224000 reduced_to: 85displacements:- atom: 1 displacement: [ 0.0099999981368522, 0.0000000000000000, 0.0000061043388591 ] forces: - [ -0.0275867400000000, 0.0000000000000000, 0.0007597200000000 ] - [ 0.0003207500000000, 0.0000000000000000, -0.0000214400000000 ] - [ -0.0000508600000000, 0.0000000000000000, -0.0000714300000000 ] - [ 0.0000403200000000, 0.0000000000000000, 0.0000264100000000 ] - [ 0.0001920600000000, 0.0000000000000000, 0.0006333200000000 ] - [ 0.0002912700000000, 0.0000000000000000, -0.0002739500000000 ] - [ 0.0002917300000000, 0.0000000000000000, -0.0002724000000000 ] - [ 0.0001920600000000, 0.0000000000000000, 0.0006293100000000 ] - [ -0.0004142000000000, 0.0015332400000000, -0.0003699700000000 ] - [ 0.0001466300000000, 0.0019702900000000, 0.0000709000000000 ] - [ -0.0004160900000000, 0.0022665900000000, -0.0003695900000000 ] - [ 0.0001464400000000, 0.0018295800000000, 0.0000707400000000 ] - [ 0.0000999800000000, -0.0018103200000000, 0.0001466500000000 ] - [ 0.0000416700000000, -0.0019588100000000, -0.0000504100000000 ] - [ 0.0000419500000000, -0.0018444700000000, -0.0000502900000000 ] - [ 0.0000993700000000, -0.0019902600000000, 0.0001475300000000 ] - [ 0.0000642700000000, 0.0000000000000000, 0.0000078900000000 ] - [ 0.0000640900000000, 0.0000000000000000, 0.0000073400000000 ] - [ 0.0000068100000000, 0.0000000000000000, 0.0000059200000000 ] - [ 0.0000067300000000, 0.0000000000000000, 0.0000057400000000 ] - [ -0.0001291100000000, 0.0000000000000000, -0.0000798300000000 ] - [ 0.0000555600000000, 0.0000000000000000, 0.0000750400000000 ] - [ -0.0001293300000000, 0.0000000000000000, -0.0000797500000000 ] - [ 0.0000557500000000, 0.0000000000000000, 0.0000751900000000 ] - [ 0.0000999800000000, 0.0018103200000000, 0.0001466500000000 ] - [ 0.0000416700000000, 0.0019588100000000, -0.0000504100000000 ] - [ 0.0000419500000000, 0.0018444700000000, -0.0000502900000000 ] - [ 0.0000993700000000, 0.0019902600000000, 0.0001475300000000 ] - [ -0.0004142000000000, -0.0015332400000000, -0.0003699700000000 ] - [ 0.0001466300000000, -0.0019702900000000, 0.0000709000000000 ] - [ -0.0004160900000000, -0.0022665900000000, -0.0003695900000000 ] - [ 0.0001464400000000, -0.0018295800000000, 0.0000707400000000 ] - [ 0.0031133700000000, 0.0002522500000000, 0.0002048600000000 ] - [ -0.0001492200000000, -0.0013520100000000, -0.0025994200000000 ] - [ 0.0006433000000000, -0.0019926900000000, -0.0024039700000000 ] - [ 0.0005805600000000, -0.0017706000000000, -0.0027572300000000 ] - [ -0.0001950000000000, 0.0000000000000000, 0.0038063200000000 ] - [ -0.0003629000000000, 0.0000000000000000, 0.0038003800000000 ] - [ 0.0065707000000000, 0.0000000000000000, -0.0020690000000000 ] - [ -0.0006954800000000, 0.0000000000000000, 0.0034617000000000 ] - [ -0.0005456100000000, 0.0018169300000000, 0.0025803100000000 ] - [ -0.0006923700000000, 0.0018759900000000, 0.0025855000000000 ] - [ -0.0001645000000000, 0.0013721200000000, 0.0027399100000000 ] - [ -0.0012299900000000, 0.0022300900000000, 0.0024410100000000 ] - [ -0.0006954200000000, -0.0019192500000000, 0.0024726500000000 ] - [ -0.0006326500000000, -0.0016978100000000, 0.0028246300000000 ] - [ -0.0014235900000000, -0.0023373600000000, 0.0026300300000000 ] - [ 0.0018313900000000, -0.0039010400000000, 0.0054124800000000 ] - [ 0.0000468400000000, 0.0014600200000000, -0.0027884900000000 ] - [ 0.0011120300000000, 0.0023163200000000, -0.0024886400000000 ] - [ 0.0005840500000000, 0.0018145900000000, -0.0026433200000000 ] - [ 0.0007308600000000, 0.0018725600000000, -0.0026499200000000 ] - [ -0.0001007200000000, 0.0000000000000000, -0.0041271000000000 ] - [ 0.0068967800000000, 0.0000000000000000, -0.0094654400000000 ] - [ 0.0002348000000000, 0.0000000000000000, -0.0037865400000000 ] - [ 0.0004027100000000, 0.0000000000000000, -0.0037818900000000 ] - [ 0.0000468400000000, -0.0014600200000000, -0.0027884900000000 ] - [ 0.0011120300000000, -0.0023163200000000, -0.0024886400000000 ] - [ 0.0005840500000000, -0.0018145900000000, -0.0026433200000000 ] - [ 0.0007308600000000, -0.0018725600000000, -0.0026499200000000 ] - [ -0.0003554000000000, 0.0000000000000000, 0.0036914400000000 ] - [ -0.0002471800000000, 0.0000000000000000, 0.0038911700000000 ] - [ -0.0005755600000000, 0.0000000000000000, 0.0037630100000000 ] - [ 0.0001569000000000, 0.0000000000000000, 0.0041232000000000 ] - [ -0.0006954200000000, 0.0019192500000000, 0.0024726500000000 ] - [ -0.0006326500000000, 0.0016978100000000, 0.0028246300000000 ] - [ -0.0014235900000000, 0.0023373600000000, 0.0026300300000000 ] - [ 0.0018313900000000, 0.0039010400000000, 0.0054124800000000 ] - [ -0.0005456100000000, -0.0018169300000000, 0.0025803100000000 ] - [ -0.0006923700000000, -0.0018759900000000, 0.0025855000000000 ] - [ -0.0001645000000000, -0.0013721200000000, 0.0027399100000000 ] - [ -0.0012299900000000, -0.0022300900000000, 0.0024410100000000 ] - [ 0.0031133700000000, -0.0002522500000000, 0.0002048600000000 ] - [ -0.0001492200000000, 0.0013520100000000, -0.0025994200000000 ] - [ 0.0006433000000000, 0.0019926900000000, -0.0024039700000000 ] - [ 0.0005805600000000, 0.0017706000000000, -0.0027572300000000 ] - [ 0.0007537700000000, 0.0000000000000000, -0.0034647400000000 ] - [ 0.0000219200000000, 0.0000000000000000, -0.0038242000000000 ] - [ 0.0003505900000000, 0.0000000000000000, -0.0036963700000000 ] - [ 0.0002416000000000, 0.0000000000000000, -0.0038961500000000 ] - [ 0.0028628600000000, -0.0005015200000000, 0.0009556400000000 ] - [ 0.0028330200000000, -0.0069759600000000, 0.0009523200000000 ] - [ 0.0000777600000000, -0.0037786800000000, -0.0000092500000000 ] - [ 0.0000770700000000, -0.0037259400000000, -0.0000103600000000 ] - [ -0.0030026400000000, 0.0037464600000000, -0.0020782000000000 ] - [ 0.0010694000000000, 0.0037521400000000, 0.0001058200000000 ] - [ -0.0003854200000000, 0.0037511700000000, -0.0001711200000000 ] - [ 0.0002217300000000, 0.0037530500000000, 0.0001727900000000 ] - [ -0.0030026400000000, -0.0037464600000000, -0.0020782000000000 ] - [ 0.0010694000000000, -0.0037521400000000, 0.0001058200000000 ] - [ -0.0003854200000000, -0.0037511700000000, -0.0001711200000000 ] - [ 0.0002217300000000, -0.0037530500000000, 0.0001727900000000 ] - [ 0.0028628600000000, 0.0005015200000000, 0.0009556400000000 ] - [ 0.0028330200000000, 0.0069759600000000, 0.0009523200000000 ] - [ 0.0000777600000000, 0.0037786800000000, -0.0000092500000000 ] - [ 0.0000770700000000, 0.0037259400000000, -0.0000103600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0270714900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000766900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000261300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000785100000000, 0.0000000000000000 ] - [ -0.0000006700000000, -0.0005864200000000, -0.0000008500000000 ] - [ 0.0000001200000000, 0.0000038000000000, -0.0000003400000000 ] - [ -0.0000001200000000, 0.0000038000000000, 0.0000003400000000 ] - [ 0.0000006700000000, -0.0005864200000000, 0.0000008500000000 ] - [ -0.0003461600000000, 0.0018872000000000, 0.0005578200000000 ] - [ 0.0000187000000000, 0.0018425300000000, 0.0000381800000000 ] - [ 0.0003461600000000, 0.0018872000000000, -0.0005578200000000 ] - [ -0.0000187000000000, 0.0018425300000000, -0.0000381800000000 ] - [ 0.0000489500000000, -0.0016212200000000, 0.0002113600000000 ] - [ -0.0000680500000000, -0.0018703200000000, 0.0000697600000000 ] - [ 0.0000680500000000, -0.0018703200000000, -0.0000697600000000 ] - [ -0.0000489500000000, -0.0016212200000000, -0.0002113600000000 ] - [ 0.0000000500000000, 0.0002583500000000, 0.0000005700000000 ] - [ -0.0000000500000000, 0.0002583500000000, -0.0000005700000000 ] - [ 0.0000000200000000, 0.0000526300000000, 0.0000001800000000 ] - [ -0.0000000200000000, 0.0000526300000000, -0.0000001800000000 ] - [ 0.0000003100000000, 0.0001933900000000, 0.0000001300000000 ] - [ -0.0000000100000000, 0.0001098400000000, -0.0000000900000000 ] - [ -0.0000003100000000, 0.0001933900000000, -0.0000001300000000 ] - [ 0.0000000100000000, 0.0001098400000000, 0.0000000900000000 ] - [ -0.0000496000000000, 0.0021842700000000, -0.0002127400000000 ] - [ 0.0000677900000000, 0.0019429300000000, -0.0000697900000000 ] - [ -0.0000677900000000, 0.0019429300000000, 0.0000697900000000 ] - [ 0.0000496000000000, 0.0021842700000000, 0.0002127400000000 ] - [ 0.0003452400000000, -0.0019184100000000, -0.0005553900000000 ] - [ -0.0000187500000000, -0.0019710800000000, -0.0000384900000000 ] - [ -0.0003452400000000, -0.0019184100000000, 0.0005553900000000 ] - [ 0.0000187500000000, -0.0019710800000000, 0.0000384900000000 ] - [ 0.0029405000000000, 0.0029791000000000, 0.0022502600000000 ] - [ 0.0007987400000000, -0.0017153900000000, -0.0028217600000000 ] - [ 0.0006343700000000, -0.0018106600000000, -0.0026072200000000 ] - [ 0.0006507500000000, -0.0018562400000000, -0.0024384100000000 ] - [ -0.0002988900000000, 0.0001825200000000, 0.0037954900000000 ] - [ -0.0002991400000000, 0.0001270500000000, 0.0037949800000000 ] - [ -0.0003164100000000, 0.0011409300000000, 0.0038101700000000 ] - [ -0.0002985300000000, 0.0007253700000000, 0.0037945900000000 ] - [ -0.0005920100000000, 0.0018446900000000, 0.0024502200000000 ] - [ -0.0006484300000000, 0.0018244300000000, 0.0026030400000000 ] - [ -0.0010192600000000, 0.0016071400000000, 0.0028757700000000 ] - [ -0.0001886500000000, 0.0016467400000000, 0.0025797500000000 ] - [ -0.0006507500000000, -0.0018562400000000, 0.0024384100000000 ] - [ -0.0006343700000000, -0.0018106600000000, 0.0026072200000000 ] - [ -0.0007987400000000, -0.0017153900000000, 0.0028217600000000 ] - [ -0.0029405000000000, 0.0029791000000000, -0.0022502600000000 ] - [ 0.0001886500000000, 0.0016467400000000, -0.0025797500000000 ] - [ 0.0010192600000000, 0.0016071400000000, -0.0028757700000000 ] - [ 0.0006484300000000, 0.0018244300000000, -0.0026030400000000 ] - [ 0.0005920100000000, 0.0018446900000000, -0.0024502200000000 ] - [ 0.0002985300000000, 0.0007253700000000, -0.0037945900000000 ] - [ 0.0003164100000000, 0.0011409300000000, -0.0038101700000000 ] - [ 0.0002991400000000, 0.0001270500000000, -0.0037949800000000 ] - [ 0.0002988900000000, 0.0001825200000000, -0.0037954900000000 ] - [ 0.0010885600000000, -0.0020449800000000, -0.0026489300000000 ] - [ 0.0002585400000000, -0.0020825800000000, -0.0023534900000000 ] - [ 0.0006274300000000, -0.0018674100000000, -0.0026252600000000 ] - [ 0.0006840000000000, -0.0018460900000000, -0.0027792600000000 ] - [ -0.0002986700000000, -0.0001450600000000, 0.0037954200000000 ] - [ -0.0002991000000000, -0.0001384300000000, 0.0037948900000000 ] - [ -0.0002991800000000, -0.0002813600000000, 0.0037949900000000 ] - [ -0.0002985000000000, -0.0015163300000000, 0.0037957000000000 ] - [ -0.0006248000000000, 0.0018350200000000, 0.0027908300000000 ] - [ -0.0006415200000000, 0.0018806400000000, 0.0026217800000000 ] - [ -0.0004764600000000, 0.0019754500000000, 0.0024075900000000 ] - [ 0.0015607800000000, 0.0065189300000000, 0.0073523000000000 ] - [ -0.0006840000000000, -0.0018460900000000, 0.0027792600000000 ] - [ -0.0006274300000000, -0.0018674100000000, 0.0026252600000000 ] - [ -0.0002585400000000, -0.0020825800000000, 0.0023534900000000 ] - [ -0.0010885600000000, -0.0020449800000000, 0.0026489300000000 ] - [ -0.0015607800000000, 0.0065189300000000, -0.0073523000000000 ] - [ 0.0004764600000000, 0.0019754500000000, -0.0024075900000000 ] - [ 0.0006415200000000, 0.0018806400000000, -0.0026217800000000 ] - [ 0.0006248000000000, 0.0018350200000000, -0.0027908300000000 ] - [ 0.0002985000000000, -0.0015163300000000, -0.0037957000000000 ] - [ 0.0002991800000000, -0.0002813600000000, -0.0037949900000000 ] - [ 0.0002991000000000, -0.0001384300000000, -0.0037948900000000 ] - [ 0.0002986700000000, -0.0001450600000000, -0.0037954200000000 ] - [ 0.0029951900000000, -0.0046030100000000, -0.0016082700000000 ] - [ -0.0029951900000000, -0.0046030100000000, 0.0016082700000000 ] - [ -0.0000561600000000, -0.0039606000000000, 0.0001006300000000 ] - [ 0.0000561600000000, -0.0039606000000000, -0.0001006300000000 ] - [ 0.0000000000000000, 0.0092633100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0040861300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0038961800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0040413200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016993500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0034207900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0036089000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0034674800000000, 0.0000000000000000 ] - [ -0.0029832500000000, 0.0029082100000000, 0.0016053300000000 ] - [ 0.0029832500000000, 0.0029082100000000, -0.0016053300000000 ] - [ 0.0000555100000000, 0.0035462800000000, -0.0000998300000000 ] - [ -0.0000555100000000, 0.0035462800000000, 0.0000998300000000 ]- atom: 1 displacement: [ -0.0032276650590697, 0.0000000000000000, 0.0094647862240233 ] forces: - [ 0.0096505100000000, 0.0000000000000000, -0.0202224600000000 ] - [ -0.0001244600000000, 0.0000000000000000, -0.0000482500000000 ] - [ -0.0000533900000000, 0.0000000000000000, 0.0000651900000000 ] - [ 0.0000119400000000, 0.0000000000000000, -0.0000053600000000 ] - [ 0.0005249300000000, 0.0000000000000000, 0.0004613800000000 ] - [ -0.0001688000000000, 0.0000000000000000, 0.0002299400000000 ] - [ -0.0001691400000000, 0.0000000000000000, 0.0002307900000000 ] - [ 0.0005192100000000, 0.0000000000000000, 0.0004580700000000 ] - [ -0.0001915000000000, 0.0025590500000000, 0.0008606300000000 ] - [ -0.0000359200000000, 0.0018740300000000, 0.0000009600000000 ] - [ -0.0001868600000000, 0.0012659800000000, 0.0008486400000000 ] - [ -0.0000361100000000, 0.0019432900000000, 0.0000007300000000 ] - [ -0.0000010900000000, -0.0018980500000000, 0.0000758600000000 ] - [ -0.0000128200000000, -0.0018857400000000, 0.0000357800000000 ] - [ -0.0000127100000000, -0.0019410600000000, 0.0000350500000000 ] - [ -0.0000007800000000, -0.0019303900000000, 0.0000762000000000 ] - [ -0.0000134700000000, 0.0000000000000000, -0.0000580100000000 ] - [ -0.0000134400000000, 0.0000000000000000, -0.0000585000000000 ] - [ 0.0000031600000000, 0.0000000000000000, 0.0000045300000000 ] - [ 0.0000032900000000, 0.0000000000000000, 0.0000042700000000 ] - [ 0.0000125400000000, 0.0000000000000000, 0.0000490800000000 ] - [ -0.0000062300000000, 0.0000000000000000, -0.0000108200000000 ] - [ 0.0000123700000000, 0.0000000000000000, 0.0000486100000000 ] - [ -0.0000062900000000, 0.0000000000000000, -0.0000110900000000 ] - [ -0.0000010900000000, 0.0018980500000000, 0.0000758600000000 ] - [ -0.0000128200000000, 0.0018857400000000, 0.0000357800000000 ] - [ -0.0000127100000000, 0.0019410600000000, 0.0000350500000000 ] - [ -0.0000007800000000, 0.0019303900000000, 0.0000762000000000 ] - [ -0.0001915000000000, -0.0025590500000000, 0.0008606300000000 ] - [ -0.0000359200000000, -0.0018740300000000, 0.0000009600000000 ] - [ -0.0001868600000000, -0.0012659800000000, 0.0008486400000000 ] - [ -0.0000361100000000, -0.0019432900000000, 0.0000007300000000 ] - [ 0.0016867300000000, 0.0005874600000000, 0.0007328100000000 ] - [ 0.0009484700000000, -0.0021509700000000, -0.0024727700000000 ] - [ 0.0007033700000000, -0.0017969000000000, -0.0027559300000000 ] - [ 0.0006043500000000, -0.0018353400000000, -0.0026118100000000 ] - [ -0.0004409600000000, 0.0000000000000000, 0.0033880300000000 ] - [ -0.0003092400000000, 0.0000000000000000, 0.0037117500000000 ] - [ -0.0062145100000000, 0.0000000000000000, 0.0098744000000000 ] - [ -0.0002667400000000, 0.0000000000000000, 0.0042882600000000 ] - [ -0.0006193800000000, 0.0018251300000000, 0.0025594800000000 ] - [ -0.0006617400000000, 0.0018689300000000, 0.0025932500000000 ] - [ -0.0007384600000000, 0.0020859200000000, 0.0029645500000000 ] - [ -0.0006141600000000, 0.0016972300000000, 0.0028302700000000 ] - [ -0.0006713000000000, -0.0018584300000000, 0.0026124100000000 ] - [ -0.0005721000000000, -0.0018961300000000, 0.0024684000000000 ] - [ -0.0003258000000000, -0.0015412600000000, 0.0027508000000000 ] - [ 0.0003872700000000, -0.0042541000000000, 0.0059610800000000 ] - [ 0.0006610300000000, 0.0019955200000000, -0.0023934500000000 ] - [ 0.0005370500000000, 0.0016052500000000, -0.0022595400000000 ] - [ 0.0006126500000000, 0.0018238500000000, -0.0026300500000000 ] - [ 0.0006563300000000, 0.0018669500000000, -0.0026654200000000 ] - [ 0.0003321800000000, 0.0000000000000000, -0.0032962500000000 ] - [ -0.0058646400000000, 0.0000000000000000, 0.0024100900000000 ] - [ 0.0002894000000000, 0.0000000000000000, -0.0038715300000000 ] - [ 0.0001598200000000, 0.0000000000000000, -0.0041899700000000 ] - [ 0.0006610300000000, -0.0019955200000000, -0.0023934500000000 ] - [ 0.0005370500000000, -0.0016052500000000, -0.0022595400000000 ] - [ 0.0006126500000000, -0.0018238500000000, -0.0026300500000000 ] - [ 0.0006563300000000, -0.0018669500000000, -0.0026654200000000 ] - [ -0.0003166000000000, 0.0000000000000000, 0.0037943500000000 ] - [ -0.0002896200000000, 0.0000000000000000, 0.0037612200000000 ] - [ -0.0001792700000000, 0.0000000000000000, 0.0038237500000000 ] - [ -0.0002598500000000, 0.0000000000000000, 0.0039961500000000 ] - [ -0.0006713000000000, 0.0018584300000000, 0.0026124100000000 ] - [ -0.0005721000000000, 0.0018961300000000, 0.0024684000000000 ] - [ -0.0003258000000000, 0.0015412600000000, 0.0027508000000000 ] - [ 0.0003872700000000, 0.0042541000000000, 0.0059610800000000 ] - [ -0.0006193800000000, -0.0018251300000000, 0.0025594800000000 ] - [ -0.0006617400000000, -0.0018689300000000, 0.0025932500000000 ] - [ -0.0007384600000000, -0.0020859200000000, 0.0029645500000000 ] - [ -0.0006141600000000, -0.0016972300000000, 0.0028302700000000 ] - [ 0.0016867300000000, -0.0005874600000000, 0.0007328100000000 ] - [ 0.0009484700000000, 0.0021509700000000, -0.0024727700000000 ] - [ 0.0007033700000000, 0.0017969000000000, -0.0027559300000000 ] - [ 0.0006043500000000, 0.0018353400000000, -0.0026118100000000 ] - [ 0.0003385600000000, 0.0000000000000000, -0.0035881200000000 ] - [ 0.0004203000000000, 0.0000000000000000, -0.0037576000000000 ] - [ 0.0003098500000000, 0.0000000000000000, -0.0038212400000000 ] - [ 0.0002821900000000, 0.0000000000000000, -0.0037884300000000 ] - [ -0.0000498800000000, -0.0062986100000000, -0.0025465800000000 ] - [ -0.0000473500000000, -0.0012039300000000, -0.0025544800000000 ] - [ 0.0000253100000000, -0.0035373200000000, 0.0001763700000000 ] - [ 0.0000239900000000, -0.0039646400000000, 0.0001731900000000 ] - [ -0.0009158700000000, 0.0037468800000000, -0.0017475200000000 ] - [ -0.0002937600000000, 0.0037518600000000, -0.0001570900000000 ] - [ 0.0000121000000000, 0.0037512200000000, 0.0001139200000000 ] - [ 0.0000421300000000, 0.0037538600000000, -0.0000118800000000 ] - [ -0.0009158700000000, -0.0037468800000000, -0.0017475200000000 ] - [ -0.0002937600000000, -0.0037518600000000, -0.0001570900000000 ] - [ 0.0000121000000000, -0.0037512200000000, 0.0001139200000000 ] - [ 0.0000421300000000, -0.0037538600000000, -0.0000118800000000 ] - [ -0.0000498800000000, 0.0062986100000000, -0.0025465800000000 ] - [ -0.0000473500000000, 0.0012039300000000, -0.0025544800000000 ] - [ 0.0000253100000000, 0.0035373200000000, 0.0001763700000000 ] - [ 0.0000239900000000, 0.0039646400000000, 0.0001731900000000 ]- atom: 5 displacement: [ 0.0099999981368522, 0.0000000000000000, 0.0000061043388591 ] forces: - [ 0.0001922000000000, 0.0000000000000000, 0.0006151000000000 ] - [ 0.0002903900000000, 0.0000000000000000, -0.0000789800000000 ] - [ 0.0002924000000000, 0.0000000000000000, -0.0000787800000000 ] - [ 0.0001920900000000, 0.0000000000000000, 0.0006202300000000 ] - [ -0.0234476300000000, 0.0000000000000000, 0.0100679200000000 ] - [ 0.0001235400000000, 0.0000000000000000, -0.0000306400000000 ] - [ 0.0000170300000000, 0.0000000000000000, -0.0001296900000000 ] - [ 0.0000044400000000, 0.0000000000000000, 0.0000755000000000 ] - [ 0.0011969900000000, 0.0010726800000000, 0.0000415700000000 ] - [ 0.0012134100000000, 0.0027416200000000, 0.0000403000000000 ] - [ 0.0000080400000000, 0.0019777800000000, -0.0000196900000000 ] - [ 0.0000078400000000, 0.0018244400000000, -0.0000195100000000 ] - [ -0.0002951000000000, -0.0019045200000000, -0.0001640900000000 ] - [ 0.0000686500000000, -0.0019031300000000, 0.0000023700000000 ] - [ -0.0001274500000000, -0.0019064400000000, -0.0000524600000000 ] - [ 0.0000541800000000, -0.0019068500000000, 0.0000574000000000 ] - [ -0.0001292100000000, 0.0000000000000000, -0.0000306900000000 ] - [ 0.0000557800000000, 0.0000000000000000, 0.0000124100000000 ] - [ -0.0001289300000000, 0.0000000000000000, -0.0000304500000000 ] - [ 0.0000555700000000, 0.0000000000000000, 0.0000125600000000 ] - [ 0.0000384700000000, 0.0000000000000000, 0.0000135000000000 ] - [ 0.0000384600000000, 0.0000000000000000, 0.0000138800000000 ] - [ 0.0000226800000000, 0.0000000000000000, 0.0000097600000000 ] - [ 0.0000228100000000, 0.0000000000000000, 0.0000096800000000 ] - [ -0.0002951000000000, 0.0019045200000000, -0.0001640900000000 ] - [ 0.0000686500000000, 0.0019031300000000, 0.0000023700000000 ] - [ -0.0001274500000000, 0.0019064400000000, -0.0000524600000000 ] - [ 0.0000541800000000, 0.0019068500000000, 0.0000574000000000 ] - [ 0.0011969900000000, -0.0010726800000000, 0.0000415700000000 ] - [ 0.0012134100000000, -0.0027416200000000, 0.0000403000000000 ] - [ 0.0000080400000000, -0.0019777800000000, -0.0000196900000000 ] - [ 0.0000078400000000, -0.0018244400000000, -0.0000195100000000 ] - [ 0.0022195400000000, -0.0028460900000000, -0.0023984500000000 ] - [ 0.0003896900000000, -0.0018233100000000, -0.0025514600000000 ] - [ 0.0005705500000000, -0.0016071100000000, -0.0024385000000000 ] - [ 0.0005045500000000, -0.0017597900000000, -0.0027481800000000 ] - [ 0.0087258200000000, 0.0000000000000000, -0.0012227600000000 ] - [ -0.0007464900000000, 0.0000000000000000, 0.0034444200000000 ] - [ 0.0001790400000000, 0.0000000000000000, 0.0041611000000000 ] - [ -0.0004038800000000, 0.0000000000000000, 0.0037119200000000 ] - [ -0.0006421300000000, 0.0020708000000000, 0.0027999800000000 ] - [ -0.0008179600000000, 0.0018366600000000, 0.0025806400000000 ] - [ -0.0001555100000000, 0.0016767700000000, 0.0024698800000000 ] - [ -0.0008056400000000, 0.0019354400000000, 0.0025988500000000 ] - [ 0.0009408600000000, -0.0008312200000000, 0.0028424600000000 ] - [ -0.0008868600000000, -0.0018680600000000, 0.0026765600000000 ] - [ -0.0007038600000000, -0.0020820700000000, 0.0027878700000000 ] - [ -0.0007728500000000, -0.0019313400000000, 0.0024806900000000 ] - [ 0.0006335600000000, 0.0016188600000000, -0.0024276100000000 ] - [ 0.0004577000000000, 0.0018533400000000, -0.0026474200000000 ] - [ 0.0011186700000000, 0.0020136200000000, -0.0027584700000000 ] - [ 0.0004706200000000, 0.0017550800000000, -0.0026299700000000 ] - [ 0.0095320300000000, 0.0000000000000000, -0.0090570900000000 ] - [ -0.0001434600000000, 0.0000000000000000, -0.0041373600000000 ] - [ 0.0007754100000000, 0.0000000000000000, -0.0034276800000000 ] - [ 0.0001938800000000, 0.0000000000000000, -0.0038757700000000 ] - [ 0.0006335600000000, -0.0016188600000000, -0.0024276100000000 ] - [ 0.0004577000000000, -0.0018533400000000, -0.0026474200000000 ] - [ 0.0011186700000000, -0.0020136200000000, -0.0027584700000000 ] - [ 0.0004706200000000, -0.0017550800000000, -0.0026299700000000 ] - [ -0.0002964500000000, 0.0000000000000000, 0.0037939800000000 ] - [ -0.0003934400000000, 0.0000000000000000, 0.0037739800000000 ] - [ -0.0003665800000000, 0.0000000000000000, 0.0038336200000000 ] - [ -0.0002437900000000, 0.0000000000000000, 0.0035448600000000 ] - [ 0.0009408600000000, 0.0008312200000000, 0.0028424600000000 ] - [ -0.0008868600000000, 0.0018680600000000, 0.0026765600000000 ] - [ -0.0007038600000000, 0.0020820700000000, 0.0027878700000000 ] - [ -0.0007728500000000, 0.0019313400000000, 0.0024806900000000 ] - [ -0.0006421300000000, -0.0020708000000000, 0.0027999800000000 ] - [ -0.0008179600000000, -0.0018366600000000, 0.0025806400000000 ] - [ -0.0001555100000000, -0.0016767700000000, 0.0024698800000000 ] - [ -0.0008056400000000, -0.0019354400000000, 0.0025988500000000 ] - [ 0.0022195400000000, 0.0028460900000000, -0.0023984500000000 ] - [ 0.0003896900000000, 0.0018233100000000, -0.0025514600000000 ] - [ 0.0005705500000000, 0.0016071100000000, -0.0024385000000000 ] - [ 0.0005045500000000, 0.0017597900000000, -0.0027481800000000 ] - [ 0.0003019800000000, 0.0000000000000000, -0.0037920100000000 ] - [ 0.0002040900000000, 0.0000000000000000, -0.0038125700000000 ] - [ 0.0002308700000000, 0.0000000000000000, -0.0037536500000000 ] - [ 0.0003549100000000, 0.0000000000000000, -0.0040387500000000 ] - [ -0.0026136000000000, -0.0011135300000000, -0.0011084200000000 ] - [ 0.0004327800000000, -0.0040023400000000, 0.0001313000000000 ] - [ -0.0026116700000000, -0.0063929000000000, -0.0011082000000000 ] - [ 0.0004326900000000, -0.0034979100000000, 0.0001348900000000 ] - [ 0.0006004600000000, 0.0031770000000000, 0.0006861400000000 ] - [ 0.0003694500000000, 0.0037867200000000, -0.0000277700000000 ] - [ 0.0003689300000000, 0.0037170900000000, -0.0000259900000000 ] - [ 0.0006014800000000, 0.0043264100000000, 0.0006865400000000 ] - [ 0.0006004600000000, -0.0031770000000000, 0.0006861400000000 ] - [ 0.0003694500000000, -0.0037867200000000, -0.0000277700000000 ] - [ 0.0003689300000000, -0.0037170900000000, -0.0000259900000000 ] - [ 0.0006014800000000, -0.0043264100000000, 0.0006865400000000 ] - [ -0.0026136000000000, 0.0011135300000000, -0.0011084200000000 ] - [ 0.0004327800000000, 0.0040023400000000, 0.0001313000000000 ] - [ -0.0026116700000000, 0.0063929000000000, -0.0011082000000000 ] - [ 0.0004326900000000, 0.0034979100000000, 0.0001348900000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000006800000000, -0.0005859600000000, 0.0000014000000000 ] - [ -0.0000006000000000, 0.0000043700000000, 0.0000000000000000 ] - [ 0.0000006000000000, 0.0000043700000000, 0.0000000000000000 ] - [ -0.0000006800000000, -0.0005859600000000, -0.0000014000000000 ] - [ 0.0000000000000000, -0.0132115100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000474800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000579600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001505600000000, 0.0000000000000000 ] - [ -0.0008258400000000, 0.0019749400000000, 0.0001427900000000 ] - [ 0.0008258400000000, 0.0019749400000000, -0.0001427900000000 ] - [ -0.0000038800000000, 0.0018277900000000, -0.0000295000000000 ] - [ 0.0000038800000000, 0.0018277900000000, 0.0000295000000000 ] - [ 0.0000000000000000, -0.0006719300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018703100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018646400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017990700000000, 0.0000000000000000 ] - [ -0.0000001600000000, 0.0001939300000000, -0.0000002200000000 ] - [ 0.0000001000000000, 0.0001104800000000, -0.0000001400000000 ] - [ 0.0000001600000000, 0.0001939300000000, 0.0000002200000000 ] - [ -0.0000001000000000, 0.0001104800000000, 0.0000001400000000 ] - [ -0.0000000300000000, 0.0001549200000000, -0.0000001500000000 ] - [ 0.0000000300000000, 0.0001549200000000, 0.0000001500000000 ] - [ -0.0000000400000000, 0.0001433400000000, 0.0000000900000000 ] - [ 0.0000000400000000, 0.0001433400000000, -0.0000000900000000 ] - [ 0.0000000000000000, 0.0031159100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019417700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019498800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020069300000000, 0.0000000000000000 ] - [ 0.0008216900000000, -0.0018299000000000, -0.0001426100000000 ] - [ -0.0008216900000000, -0.0018299000000000, 0.0001426100000000 ] - [ 0.0000038900000000, -0.0019808900000000, 0.0000294600000000 ] - [ -0.0000038900000000, -0.0019808900000000, -0.0000294600000000 ] - [ -0.0011759500000000, 0.0002433500000000, -0.0035459700000000 ] - [ 0.0006342800000000, -0.0017885100000000, -0.0026218000000000 ] - [ 0.0008505000000000, -0.0017438900000000, -0.0027007100000000 ] - [ 0.0003342800000000, -0.0018028300000000, -0.0028051400000000 ] - [ -0.0002754700000000, 0.0006624000000000, 0.0037801800000000 ] - [ -0.0002986400000000, 0.0002623400000000, 0.0037944000000000 ] - [ -0.0003000700000000, 0.0006187800000000, 0.0037938300000000 ] - [ -0.0002991400000000, 0.0001855000000000, 0.0037940200000000 ] - [ -0.0002824400000000, 0.0017449100000000, 0.0023668300000000 ] - [ -0.0009866400000000, 0.0017772100000000, 0.0025971000000000 ] - [ -0.0008453300000000, 0.0015772100000000, 0.0030816400000000 ] - [ -0.0006450800000000, 0.0018100600000000, 0.0026217700000000 ] - [ 0.0011759500000000, 0.0002433500000000, 0.0035459700000000 ] - [ -0.0006342800000000, -0.0017885100000000, 0.0026218000000000 ] - [ -0.0008505000000000, -0.0017438900000000, 0.0027007100000000 ] - [ -0.0003342800000000, -0.0018028300000000, 0.0028051400000000 ] - [ 0.0002824400000000, 0.0017449100000000, -0.0023668300000000 ] - [ 0.0009866400000000, 0.0017772100000000, -0.0025971000000000 ] - [ 0.0008453300000000, 0.0015772100000000, -0.0030816400000000 ] - [ 0.0006450800000000, 0.0018100600000000, -0.0026217700000000 ] - [ 0.0002754700000000, 0.0006624000000000, -0.0037801800000000 ] - [ 0.0002986400000000, 0.0002623400000000, -0.0037944000000000 ] - [ 0.0003000700000000, 0.0006187800000000, -0.0037938300000000 ] - [ 0.0002991400000000, 0.0001855000000000, -0.0037940200000000 ] - [ 0.0009922700000000, -0.0019459700000000, -0.0028591500000000 ] - [ 0.0002902100000000, -0.0019128900000000, -0.0026313100000000 ] - [ 0.0004312700000000, -0.0021137400000000, -0.0021458000000000 ] - [ 0.0006312500000000, -0.0018807200000000, -0.0026071100000000 ] - [ -0.0002993600000000, -0.0008314800000000, 0.0037931900000000 ] - [ -0.0002988400000000, -0.0002094000000000, 0.0037941100000000 ] - [ -0.0002990500000000, -0.0002120500000000, 0.0037942800000000 ] - [ -0.0002989400000000, -0.0010810900000000, 0.0037935000000000 ] - [ -0.0023996600000000, 0.0038482400000000, 0.0017726000000000 ] - [ -0.0006416900000000, 0.0019018800000000, 0.0026075400000000 ] - [ -0.0004245400000000, 0.0019454300000000, 0.0025273000000000 ] - [ -0.0009406200000000, 0.0018879400000000, 0.0024249100000000 ] - [ -0.0009922700000000, -0.0019459700000000, 0.0028591500000000 ] - [ -0.0002902100000000, -0.0019128900000000, 0.0026313100000000 ] - [ -0.0004312700000000, -0.0021137400000000, 0.0021458000000000 ] - [ -0.0006312500000000, -0.0018807200000000, 0.0026071100000000 ] - [ 0.0023996600000000, 0.0038482400000000, -0.0017726000000000 ] - [ 0.0006416900000000, 0.0019018800000000, -0.0026075400000000 ] - [ 0.0004245400000000, 0.0019454300000000, -0.0025273000000000 ] - [ 0.0009406200000000, 0.0018879400000000, -0.0024249100000000 ] - [ 0.0002993600000000, -0.0008314800000000, -0.0037931900000000 ] - [ 0.0002988400000000, -0.0002094000000000, -0.0037941100000000 ] - [ 0.0002990500000000, -0.0002120500000000, -0.0037942800000000 ] - [ 0.0002989400000000, -0.0010810900000000, -0.0037935000000000 ] - [ 0.0022993200000000, -0.0046151000000000, -0.0015079300000000 ] - [ -0.0002408600000000, -0.0041299000000000, 0.0000422000000000 ] - [ -0.0022993200000000, -0.0046151000000000, 0.0015079300000000 ] - [ 0.0002408600000000, -0.0041299000000000, -0.0000422000000000 ] - [ -0.0011974700000000, 0.0059198000000000, -0.0011923900000000 ] - [ 0.0003074400000000, 0.0040072600000000, -0.0001296600000000 ] - [ -0.0003074400000000, 0.0040072600000000, 0.0001296600000000 ] - [ 0.0011974700000000, 0.0059198000000000, 0.0011923900000000 ] - [ 0.0011951000000000, -0.0015886800000000, 0.0011882300000000 ] - [ -0.0003063000000000, -0.0034954300000000, 0.0001292200000000 ] - [ 0.0003063000000000, -0.0034954300000000, -0.0001292200000000 ] - [ -0.0011951000000000, -0.0015886800000000, -0.0011882300000000 ] - [ -0.0022902800000000, 0.0029003300000000, 0.0015026700000000 ] - [ 0.0002399300000000, 0.0033754800000000, -0.0000419300000000 ] - [ 0.0022902800000000, 0.0029003300000000, -0.0015026700000000 ] - [ -0.0002399300000000, 0.0033754800000000, 0.0000419300000000 ]- atom: 5 displacement: [ -0.0032276650590697, 0.0000000000000000, 0.0094647862240233 ] forces: - [ 0.0005330000000000, 0.0000000000000000, 0.0004628000000000 ] - [ -0.0003539200000000, 0.0000000000000000, 0.0001674200000000 ] - [ -0.0003517100000000, 0.0000000000000000, 0.0001681200000000 ] - [ 0.0005371500000000, 0.0000000000000000, 0.0004654200000000 ] - [ 0.0171310500000000, 0.0000000000000000, -0.0252505000000000 ] - [ -0.0000694800000000, 0.0000000000000000, -0.0003365900000000 ] - [ -0.0001304500000000, 0.0000000000000000, 0.0005402700000000 ] - [ 0.0000699000000000, 0.0000000000000000, 0.0003768100000000 ] - [ -0.0003401100000000, 0.0023206500000000, -0.0008196900000000 ] - [ -0.0003413600000000, 0.0014757800000000, -0.0008177500000000 ] - [ 0.0000059300000000, 0.0018503700000000, 0.0004488100000000 ] - [ 0.0000059100000000, 0.0019533900000000, 0.0004490400000000 ] - [ -0.0000833300000000, -0.0018984600000000, -0.0007928300000000 ] - [ 0.0000266600000000, -0.0018977400000000, -0.0003683600000000 ] - [ -0.0000452200000000, -0.0019073900000000, 0.0004628700000000 ] - [ 0.0000827300000000, -0.0019064000000000, 0.0004263400000000 ] - [ -0.0000339300000000, 0.0000000000000000, 0.0000330000000000 ] - [ 0.0000530400000000, 0.0000000000000000, 0.0000094000000000 ] - [ -0.0000338100000000, 0.0000000000000000, 0.0000334000000000 ] - [ 0.0000530800000000, 0.0000000000000000, 0.0000095800000000 ] - [ 0.0000005000000000, 0.0000000000000000, -0.0004508400000000 ] - [ 0.0000007300000000, 0.0000000000000000, -0.0004508100000000 ] - [ 0.0000014900000000, 0.0000000000000000, 0.0004335600000000 ] - [ 0.0000014500000000, 0.0000000000000000, 0.0004335400000000 ] - [ -0.0000833300000000, 0.0018984600000000, -0.0007928300000000 ] - [ 0.0000266600000000, 0.0018977400000000, -0.0003683600000000 ] - [ -0.0000452200000000, 0.0019073900000000, 0.0004628700000000 ] - [ 0.0000827300000000, 0.0019064000000000, 0.0004263400000000 ] - [ -0.0003401100000000, -0.0023206500000000, -0.0008196900000000 ] - [ -0.0003413600000000, -0.0014757800000000, -0.0008177500000000 ] - [ 0.0000059300000000, -0.0018503700000000, 0.0004488100000000 ] - [ 0.0000059100000000, -0.0019533900000000, 0.0004490400000000 ] - [ 0.0012699100000000, -0.0029691300000000, -0.0014590900000000 ] - [ 0.0007765900000000, -0.0018209100000000, -0.0025381100000000 ] - [ 0.0011874100000000, -0.0022055900000000, -0.0031622800000000 ] - [ 0.0003102300000000, -0.0016342500000000, -0.0028798700000000 ] - [ -0.0104855800000000, 0.0000000000000000, 0.0105108500000000 ] - [ -0.0003033500000000, 0.0000000000000000, 0.0040362200000000 ] - [ -0.0004692700000000, 0.0000000000000000, 0.0030866900000000 ] - [ -0.0003850800000000, 0.0000000000000000, 0.0035952800000000 ] - [ -0.0002536000000000, 0.0013494300000000, 0.0027456700000000 ] - [ -0.0010174400000000, 0.0018590600000000, 0.0027975700000000 ] - [ -0.0008063000000000, 0.0022409500000000, 0.0020326600000000 ] - [ -0.0005520600000000, 0.0018939600000000, 0.0023791200000000 ] - [ 0.0000107000000000, -0.0006889500000000, 0.0037894400000000 ] - [ -0.0004988800000000, -0.0018707400000000, 0.0026906900000000 ] - [ -0.0000862300000000, -0.0014838400000000, 0.0020651600000000 ] - [ -0.0009656600000000, -0.0020564900000000, 0.0023499300000000 ] - [ 0.0010215900000000, 0.0023402000000000, -0.0024828800000000 ] - [ 0.0002586400000000, 0.0018315000000000, -0.0024310800000000 ] - [ 0.0004678600000000, 0.0014500300000000, -0.0031955000000000 ] - [ 0.0007235000000000, 0.0017971100000000, -0.0028502500000000 ] - [ -0.0095396400000000, 0.0000000000000000, 0.0026502600000000 ] - [ 0.0002949300000000, 0.0000000000000000, -0.0035536000000000 ] - [ 0.0001300500000000, 0.0000000000000000, -0.0045036300000000 ] - [ 0.0002136400000000, 0.0000000000000000, -0.0039949900000000 ] - [ 0.0010215900000000, -0.0023402000000000, -0.0024828800000000 ] - [ 0.0002586400000000, -0.0018315000000000, -0.0024310800000000 ] - [ 0.0004678600000000, -0.0014500300000000, -0.0031955000000000 ] - [ 0.0007235000000000, -0.0017971100000000, -0.0028502500000000 ] - [ -0.0003443600000000, 0.0000000000000000, 0.0040502400000000 ] - [ -0.0001516800000000, 0.0000000000000000, 0.0039589200000000 ] - [ -0.0002143600000000, 0.0000000000000000, 0.0035350700000000 ] - [ -0.0006661000000000, 0.0000000000000000, 0.0033061600000000 ] - [ 0.0000107000000000, 0.0006889500000000, 0.0037894400000000 ] - [ -0.0004988800000000, 0.0018707400000000, 0.0026906900000000 ] - [ -0.0000862300000000, 0.0014838400000000, 0.0020651600000000 ] - [ -0.0009656600000000, 0.0020564900000000, 0.0023499300000000 ] - [ -0.0002536000000000, -0.0013494300000000, 0.0027456700000000 ] - [ -0.0010174400000000, -0.0018590600000000, 0.0027975700000000 ] - [ -0.0008063000000000, -0.0022409500000000, 0.0020326600000000 ] - [ -0.0005520600000000, -0.0018939600000000, 0.0023791200000000 ] - [ 0.0012699100000000, 0.0029691300000000, -0.0014590900000000 ] - [ 0.0007765900000000, 0.0018209100000000, -0.0025381100000000 ] - [ 0.0011874100000000, 0.0022055900000000, -0.0031622800000000 ] - [ 0.0003102300000000, 0.0016342500000000, -0.0028798700000000 ] - [ 0.0002546800000000, 0.0000000000000000, -0.0035387300000000 ] - [ 0.0004468300000000, 0.0000000000000000, -0.0036310900000000 ] - [ 0.0003841500000000, 0.0000000000000000, -0.0040554700000000 ] - [ -0.0000679900000000, 0.0000000000000000, -0.0042812600000000 ] - [ -0.0003017000000000, -0.0064679600000000, 0.0027594300000000 ] - [ 0.0001902800000000, -0.0035153100000000, 0.0000562000000000 ] - [ -0.0003081000000000, -0.0010230700000000, 0.0027787400000000 ] - [ 0.0001902800000000, -0.0039880300000000, 0.0000571900000000 ] - [ 0.0009431900000000, 0.0029706500000000, 0.0007442300000000 ] - [ -0.0005333200000000, 0.0034758100000000, 0.0000544800000000 ] - [ -0.0005334700000000, 0.0040258200000000, 0.0000559100000000 ] - [ 0.0009429200000000, 0.0045324100000000, 0.0007464500000000 ] - [ 0.0009431900000000, -0.0029706500000000, 0.0007442300000000 ] - [ -0.0005333200000000, -0.0034758100000000, 0.0000544800000000 ] - [ -0.0005334700000000, -0.0040258200000000, 0.0000559100000000 ] - [ 0.0009429200000000, -0.0045324100000000, 0.0007464500000000 ] - [ -0.0003017000000000, 0.0064679600000000, 0.0027594300000000 ] - [ 0.0001902800000000, 0.0035153100000000, 0.0000562000000000 ] - [ -0.0003081000000000, 0.0010230700000000, 0.0027787400000000 ] - [ 0.0001902800000000, 0.0039880300000000, 0.0000571900000000 ]- atom: 9 displacement: [ 0.0099999981368522, 0.0000000000000000, 0.0000061043388591 ] forces: - [ -0.0004161900000000, -0.0003450500000000, -0.0003403700000000 ] - [ 0.0001469500000000, 0.0000189000000000, 0.0000117800000000 ] - [ -0.0004138100000000, 0.0003457900000000, -0.0003412000000000 ] - [ 0.0001465000000000, -0.0000186800000000, 0.0000122100000000 ] - [ 0.0012129000000000, -0.0008298800000000, 0.0000510000000000 ] - [ 0.0011976900000000, 0.0008177800000000, 0.0000502400000000 ] - [ 0.0000084100000000, -0.0000034200000000, 0.0000090600000000 ] - [ 0.0000078800000000, 0.0000041500000000, 0.0000093300000000 ] - [ -0.0148510600000000, 0.0018706300000000, -0.0051934800000000 ] - [ 0.0001882000000000, 0.0019045500000000, 0.0000320600000000 ] - [ -0.0001594400000000, 0.0019063500000000, -0.0001046000000000 ] - [ 0.0001521900000000, 0.0019055700000000, 0.0000507500000000 ] - [ 0.0007289300000000, -0.0012342400000000, 0.0001250500000000 ] - [ 0.0007199400000000, -0.0025665000000000, 0.0001245400000000 ] - [ 0.0000503600000000, -0.0018777800000000, -0.0000228600000000 ] - [ 0.0000500700000000, -0.0019307900000000, -0.0000225200000000 ] - [ 0.0000420500000000, 0.0000683100000000, 0.0000008300000000 ] - [ 0.0000999600000000, -0.0000495000000000, 0.0000329500000000 ] - [ 0.0000996800000000, 0.0000492900000000, 0.0000331300000000 ] - [ 0.0000417500000000, -0.0000674100000000, 0.0000007800000000 ] - [ -0.0002951200000000, -0.0000008300000000, -0.0001892300000000 ] - [ 0.0000688200000000, 0.0000002800000000, 0.0000516700000000 ] - [ -0.0001273300000000, 0.0000004500000000, -0.0000913500000000 ] - [ 0.0000542000000000, 0.0000004000000000, 0.0001059500000000 ] - [ 0.0000323100000000, 0.0018921600000000, -0.0000096500000000 ] - [ 0.0000322500000000, 0.0019174200000000, -0.0000101700000000 ] - [ 0.0000080300000000, 0.0018750600000000, 0.0000324800000000 ] - [ 0.0000079200000000, 0.0019352800000000, 0.0000325300000000 ] - [ -0.0005263400000000, -0.0019012200000000, -0.0001898900000000 ] - [ 0.0001118800000000, -0.0019036400000000, 0.0000454300000000 ] - [ -0.0001381000000000, -0.0019053400000000, -0.0000376000000000 ] - [ 0.0001016200000000, -0.0019060700000000, 0.0001079600000000 ] - [ 0.0036061600000000, -0.0026867000000000, -0.0032221900000000 ] - [ 0.0001990500000000, -0.0015856700000000, -0.0029534600000000 ] - [ 0.0012094700000000, -0.0019780000000000, -0.0026922400000000 ] - [ -0.0000164300000000, -0.0016134800000000, -0.0023725800000000 ] - [ 0.0008060600000000, -0.0019278400000000, 0.0049291700000000 ] - [ -0.0005651300000000, -0.0003144600000000, 0.0037891400000000 ] - [ -0.0003655300000000, 0.0003459700000000, 0.0040289900000000 ] - [ -0.0005316300000000, -0.0000855000000000, 0.0034355300000000 ] - [ 0.0016730500000000, 0.0047974200000000, 0.0044441900000000 ] - [ -0.0011831500000000, 0.0020689900000000, 0.0025914900000000 ] - [ -0.0005086700000000, 0.0014104900000000, 0.0031570400000000 ] - [ -0.0010070500000000, 0.0020462900000000, 0.0024309700000000 ] - [ -0.0010778000000000, -0.0021057200000000, 0.0022713300000000 ] - [ 0.0022119900000000, -0.0009911500000000, 0.0021088900000000 ] - [ -0.0012913900000000, -0.0020753600000000, 0.0028576100000000 ] - [ -0.0000643400000000, -0.0017117000000000, 0.0025381400000000 ] - [ 0.0000923000000000, 0.0016225700000000, -0.0026363900000000 ] - [ 0.0029651900000000, -0.0010860900000000, -0.0008165600000000 ] - [ 0.0002718600000000, 0.0016455200000000, -0.0027975300000000 ] - [ 0.0007690600000000, 0.0022797900000000, -0.0020742100000000 ] - [ 0.0000304400000000, 0.0003158800000000, -0.0038001500000000 ] - [ 0.0013940700000000, 0.0018940000000000, -0.0026980200000000 ] - [ 0.0000665800000000, 0.0000863500000000, -0.0041510600000000 ] - [ 0.0002327500000000, -0.0003445200000000, -0.0035615400000000 ] - [ 0.0004706600000000, -0.0017520800000000, -0.0026093000000000 ] - [ 0.0008911600000000, -0.0020873800000000, -0.0026297700000000 ] - [ 0.0003251000000000, -0.0015376100000000, -0.0028530500000000 ] - [ 0.0007652200000000, -0.0019280000000000, -0.0025774800000000 ] - [ -0.0004556100000000, 0.0000085000000000, 0.0037415900000000 ] - [ -0.0000079500000000, 0.0002420700000000, 0.0039572800000000 ] - [ -0.0004677100000000, -0.0000254100000000, 0.0037095800000000 ] - [ 0.0000169200000000, -0.0000825700000000, 0.0038969900000000 ] - [ -0.0008918300000000, 0.0020084300000000, 0.0025936500000000 ] - [ -0.0005775100000000, 0.0015737100000000, 0.0028432500000000 ] - [ -0.0008283900000000, 0.0019994300000000, 0.0025848900000000 ] - [ -0.0003103000000000, 0.0015167000000000, 0.0025084300000000 ] - [ -0.0003866900000000, -0.0016025100000000, 0.0026007500000000 ] - [ -0.0008050300000000, -0.0019377400000000, 0.0026198700000000 ] - [ -0.0005107100000000, -0.0017610000000000, 0.0026522100000000 ] - [ -0.0009533400000000, -0.0021543100000000, 0.0023748200000000 ] - [ 0.0006992500000000, 0.0021184400000000, -0.0023859000000000 ] - [ 0.0003834100000000, 0.0016823800000000, -0.0026351900000000 ] - [ 0.0009650900000000, 0.0021742400000000, -0.0027209500000000 ] - [ 0.0004489700000000, 0.0016918700000000, -0.0026446600000000 ] - [ 0.0005903800000000, -0.0002429600000000, -0.0036316000000000 ] - [ 0.0001409100000000, -0.0000082000000000, -0.0038477200000000 ] - [ 0.0006132300000000, 0.0000834000000000, -0.0036920600000000 ] - [ 0.0001298200000000, 0.0000254300000000, -0.0038797500000000 ] - [ 0.0023172300000000, -0.0038823300000000, -0.0012856500000000 ] - [ 0.0009813700000000, -0.0043680400000000, 0.0019229800000000 ] - [ 0.0009774800000000, -0.0031380700000000, 0.0019313700000000 ] - [ 0.0023086100000000, -0.0036227900000000, -0.0012812600000000 ] - [ -0.0035100800000000, 0.0056228200000000, -0.0009005400000000 ] - [ 0.0008871400000000, 0.0036874000000000, 0.0002079300000000 ] - [ -0.0034963800000000, 0.0018885000000000, -0.0009017200000000 ] - [ 0.0008868100000000, 0.0038214500000000, 0.0002120800000000 ] - [ -0.0007013600000000, -0.0036199800000000, -0.0002943900000000 ] - [ 0.0004676900000000, -0.0037272500000000, 0.0000391200000000 ] - [ -0.0006978400000000, -0.0038823000000000, -0.0002946600000000 ] - [ 0.0004661600000000, -0.0037778700000000, 0.0000403200000000 ] - [ 0.0001656800000000, 0.0033196200000000, -0.0000607300000000 ] - [ 0.0006200900000000, 0.0050108900000000, 0.0007878700000000 ] - [ 0.0006187600000000, 0.0024996900000000, 0.0007893500000000 ] - [ 0.0001635800000000, 0.0041842900000000, -0.0000613500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003677300000000, -0.0000176000000000, 0.0005553000000000 ] - [ 0.0000709100000000, -0.0000669500000000, -0.0000137300000000 ] - [ 0.0003677300000000, -0.0000176000000000, -0.0005553000000000 ] - [ -0.0000709100000000, -0.0000669500000000, 0.0000137300000000 ] - [ -0.0008324100000000, 0.0000706300000000, 0.0001614500000000 ] - [ 0.0008324100000000, 0.0000706300000000, -0.0001614500000000 ] - [ 0.0000768500000000, -0.0000793400000000, -0.0000280300000000 ] - [ -0.0000768500000000, -0.0000793400000000, 0.0000280300000000 ] - [ 0.0000000000000000, -0.0189280800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018905600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018849300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017270500000000, 0.0000000000000000 ] - [ 0.0006684600000000, -0.0016830000000000, -0.0000763700000000 ] - [ -0.0006684600000000, -0.0016830000000000, 0.0000763700000000 ] - [ 0.0000275600000000, -0.0018735600000000, 0.0000204400000000 ] - [ -0.0000275600000000, -0.0018735600000000, -0.0000204400000000 ] - [ 0.0000579600000000, 0.0000339400000000, -0.0000100400000000 ] - [ -0.0000889900000000, 0.0002777100000000, -0.0000464600000000 ] - [ 0.0000889900000000, 0.0002777100000000, 0.0000464600000000 ] - [ -0.0000579600000000, 0.0000339400000000, 0.0000100400000000 ] - [ 0.0000000000000000, 0.0012261700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000329700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000394400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000999800000000, 0.0000000000000000 ] - [ 0.0000131800000000, 0.0020098000000000, 0.0000345700000000 ] - [ -0.0000131800000000, 0.0020098000000000, -0.0000345700000000 ] - [ 0.0000307600000000, 0.0019632400000000, -0.0000069500000000 ] - [ -0.0000307600000000, 0.0019632400000000, 0.0000069500000000 ] - [ 0.0000000000000000, 0.0003362500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019390700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019454400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018608100000000, 0.0000000000000000 ] - [ 0.0007364800000000, -0.0013794900000000, -0.0028660300000000 ] - [ 0.0006962100000000, -0.0015866900000000, -0.0025814600000000 ] - [ 0.0005451400000000, -0.0013398300000000, -0.0028350000000000 ] - [ 0.0007735200000000, -0.0017996700000000, -0.0026929200000000 ] - [ -0.0012922900000000, 0.0035175200000000, 0.0025260800000000 ] - [ -0.0002598200000000, 0.0001611100000000, 0.0038330300000000 ] - [ -0.0003399200000000, 0.0001900400000000, 0.0037933200000000 ] - [ -0.0005071700000000, 0.0004330100000000, 0.0033916200000000 ] - [ 0.0023684200000000, 0.0082118500000000, 0.0061323200000000 ] - [ -0.0005943700000000, 0.0018156700000000, 0.0026233200000000 ] - [ -0.0009139700000000, 0.0019064000000000, 0.0026845000000000 ] - [ -0.0004457000000000, 0.0020018900000000, 0.0026657400000000 ] - [ -0.0006962100000000, -0.0015866900000000, 0.0025814600000000 ] - [ -0.0007364800000000, -0.0013794900000000, 0.0028660300000000 ] - [ -0.0007735200000000, -0.0017996700000000, 0.0026929200000000 ] - [ -0.0005451400000000, -0.0013398300000000, 0.0028350000000000 ] - [ 0.0005943700000000, 0.0018156700000000, -0.0026233200000000 ] - [ -0.0023684200000000, 0.0082118500000000, -0.0061323200000000 ] - [ 0.0004457000000000, 0.0020018900000000, -0.0026657400000000 ] - [ 0.0009139700000000, 0.0019064000000000, -0.0026845000000000 ] - [ 0.0002598200000000, 0.0001611100000000, -0.0038330300000000 ] - [ 0.0012922900000000, 0.0035175200000000, -0.0025260800000000 ] - [ 0.0005071700000000, 0.0004330100000000, -0.0033916200000000 ] - [ 0.0003399200000000, 0.0001900400000000, -0.0037933200000000 ] - [ 0.0005879600000000, -0.0018792800000000, -0.0026128700000000 ] - [ 0.0008107800000000, -0.0022834800000000, -0.0026032000000000 ] - [ 0.0009146300000000, -0.0021060400000000, -0.0023916200000000 ] - [ 0.0006555200000000, -0.0019777000000000, -0.0025527500000000 ] - [ -0.0003649400000000, -0.0001507600000000, 0.0037262200000000 ] - [ -0.0002057300000000, -0.0004394100000000, 0.0035736800000000 ] - [ -0.0003838300000000, -0.0001320100000000, 0.0037977000000000 ] - [ -0.0003312900000000, -0.0004446600000000, 0.0039556100000000 ] - [ -0.0003324900000000, 0.0016326900000000, 0.0026091600000000 ] - [ -0.0008585400000000, 0.0015184000000000, 0.0029560800000000 ] - [ -0.0007029200000000, 0.0018586300000000, 0.0026371300000000 ] - [ -0.0003767800000000, 0.0015848400000000, 0.0024370700000000 ] - [ -0.0008107800000000, -0.0022834800000000, 0.0026032000000000 ] - [ -0.0005879600000000, -0.0018792800000000, 0.0026128700000000 ] - [ -0.0006555200000000, -0.0019777000000000, 0.0025527500000000 ] - [ -0.0009146300000000, -0.0021060400000000, 0.0023916200000000 ] - [ 0.0008585400000000, 0.0015184000000000, -0.0029560800000000 ] - [ 0.0003324900000000, 0.0016326900000000, -0.0026091600000000 ] - [ 0.0003767800000000, 0.0015848400000000, -0.0024370700000000 ] - [ 0.0007029200000000, 0.0018586300000000, -0.0026371300000000 ] - [ 0.0002057300000000, -0.0004394100000000, -0.0035736800000000 ] - [ 0.0003649400000000, -0.0001507600000000, -0.0037262200000000 ] - [ 0.0003312900000000, -0.0004446600000000, -0.0039556100000000 ] - [ 0.0003838300000000, -0.0001320100000000, -0.0037977000000000 ] - [ 0.0003094100000000, -0.0038084100000000, -0.0000436800000000 ] - [ -0.0007122300000000, -0.0081355600000000, -0.0002287300000000 ] - [ 0.0007122300000000, -0.0081355600000000, 0.0002287300000000 ] - [ -0.0003094100000000, -0.0038084100000000, 0.0000436800000000 ] - [ 0.0019588800000000, 0.0040372300000000, -0.0016424200000000 ] - [ -0.0000755200000000, 0.0039020400000000, 0.0000627500000000 ] - [ -0.0019588800000000, 0.0040372300000000, 0.0016424200000000 ] - [ 0.0000755200000000, 0.0039020400000000, -0.0000627500000000 ] - [ -0.0001768000000000, -0.0029155900000000, 0.0000772300000000 ] - [ 0.0002407400000000, -0.0034293700000000, -0.0000559500000000 ] - [ 0.0001768000000000, -0.0029155900000000, -0.0000772300000000 ] - [ -0.0002407400000000, -0.0034293700000000, 0.0000559500000000 ] - [ -0.0001335400000000, 0.0035321900000000, 0.0002004500000000 ] - [ 0.0006531200000000, 0.0055876200000000, 0.0011032500000000 ] - [ -0.0006531200000000, 0.0055876200000000, -0.0011032500000000 ] - [ 0.0001335400000000, 0.0035321900000000, -0.0002004500000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003683800000000, 0.0000184700000000, -0.0005583400000000 ] - [ -0.0000711100000000, 0.0000665700000000, 0.0000136200000000 ] - [ -0.0003683800000000, 0.0000184700000000, 0.0005583400000000 ] - [ 0.0000711100000000, 0.0000665700000000, -0.0000136200000000 ] - [ 0.0008370300000000, -0.0000694400000000, -0.0001609200000000 ] - [ -0.0008370300000000, -0.0000694400000000, 0.0001609200000000 ] - [ -0.0000768200000000, 0.0000789800000000, 0.0000283300000000 ] - [ 0.0000768200000000, 0.0000789800000000, -0.0000283300000000 ] - [ 0.0000000000000000, 0.0227164200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019142200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019230400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020841500000000, 0.0000000000000000 ] - [ -0.0006634200000000, -0.0021241300000000, 0.0000764400000000 ] - [ 0.0006634200000000, -0.0021241300000000, -0.0000764400000000 ] - [ -0.0000276000000000, -0.0019365200000000, -0.0000204100000000 ] - [ 0.0000276000000000, -0.0019365200000000, 0.0000204100000000 ] - [ -0.0000574300000000, -0.0000349100000000, 0.0000099400000000 ] - [ 0.0000896200000000, -0.0002791900000000, 0.0000461800000000 ] - [ -0.0000896200000000, -0.0002791900000000, -0.0000461800000000 ] - [ 0.0000574300000000, -0.0000349100000000, -0.0000099400000000 ] - [ 0.0000000000000000, -0.0012083600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000337400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000403300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001002100000000, 0.0000000000000000 ] - [ -0.0000125800000000, 0.0017969200000000, -0.0000339900000000 ] - [ 0.0000125800000000, 0.0017969200000000, 0.0000339900000000 ] - [ -0.0000306300000000, 0.0018457900000000, 0.0000068400000000 ] - [ 0.0000306300000000, 0.0018457900000000, -0.0000068400000000 ] - [ 0.0000000000000000, -0.0041878700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018655900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018627500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019522900000000, 0.0000000000000000 ] - [ 0.0005238200000000, -0.0023124100000000, -0.0023554000000000 ] - [ 0.0005815300000000, -0.0021049800000000, -0.0026485400000000 ] - [ 0.0007325800000000, -0.0023513000000000, -0.0023968600000000 ] - [ 0.0005004100000000, -0.0018906700000000, -0.0025356900000000 ] - [ 0.0007594200000000, -0.0035904500000000, 0.0051552600000000 ] - [ -0.0003375700000000, -0.0001632200000000, 0.0037557000000000 ] - [ -0.0002584200000000, -0.0001922000000000, 0.0037943200000000 ] - [ -0.0000902600000000, -0.0004314500000000, 0.0041973100000000 ] - [ -0.0035595000000000, -0.0044098400000000, -0.0007454400000000 ] - [ -0.0006827900000000, 0.0018757600000000, 0.0026050800000000 ] - [ -0.0003631800000000, 0.0017856900000000, 0.0025435600000000 ] - [ -0.0008304500000000, 0.0016874400000000, 0.0025634700000000 ] - [ -0.0005815300000000, -0.0021049800000000, 0.0026485400000000 ] - [ -0.0005238200000000, -0.0023124100000000, 0.0023554000000000 ] - [ -0.0005004100000000, -0.0018906700000000, 0.0025356900000000 ] - [ -0.0007325800000000, -0.0023513000000000, 0.0023968600000000 ] - [ 0.0006827900000000, 0.0018757600000000, -0.0026050800000000 ] - [ 0.0035595000000000, -0.0044098400000000, 0.0007454400000000 ] - [ 0.0008304500000000, 0.0016874400000000, -0.0025634700000000 ] - [ 0.0003631800000000, 0.0017856900000000, -0.0025435600000000 ] - [ 0.0003375700000000, -0.0001632200000000, -0.0037557000000000 ] - [ -0.0007594200000000, -0.0035904500000000, -0.0051552600000000 ] - [ 0.0000902600000000, -0.0004314500000000, -0.0041973100000000 ] - [ 0.0002584200000000, -0.0001922000000000, -0.0037943200000000 ] - [ 0.0006872300000000, -0.0018121700000000, -0.0026158900000000 ] - [ 0.0004662500000000, -0.0014064000000000, -0.0026261600000000 ] - [ 0.0003631400000000, -0.0015869700000000, -0.0028358400000000 ] - [ 0.0006207700000000, -0.0017128200000000, -0.0026777900000000 ] - [ -0.0002325200000000, 0.0001507500000000, 0.0038619000000000 ] - [ -0.0003922500000000, 0.0004382700000000, 0.0040112400000000 ] - [ -0.0002138800000000, 0.0001316900000000, 0.0037905000000000 ] - [ -0.0002656400000000, 0.0004472900000000, 0.0036315800000000 ] - [ -0.0009435400000000, 0.0020578400000000, 0.0026197100000000 ] - [ -0.0004146300000000, 0.0021747500000000, 0.0022696700000000 ] - [ -0.0005734900000000, 0.0018316500000000, 0.0025920200000000 ] - [ -0.0008984100000000, 0.0021053300000000, 0.0027924700000000 ] - [ -0.0004662500000000, -0.0014064000000000, 0.0026261600000000 ] - [ -0.0006872300000000, -0.0018121700000000, 0.0026158900000000 ] - [ -0.0006207700000000, -0.0017128200000000, 0.0026777900000000 ] - [ -0.0003631400000000, -0.0015869700000000, 0.0028358400000000 ] - [ 0.0004146300000000, 0.0021747500000000, -0.0022696700000000 ] - [ 0.0009435400000000, 0.0020578400000000, -0.0026197100000000 ] - [ 0.0008984100000000, 0.0021053300000000, -0.0027924700000000 ] - [ 0.0005734900000000, 0.0018316500000000, -0.0025920200000000 ] - [ 0.0003922500000000, 0.0004382700000000, -0.0040112400000000 ] - [ 0.0002325200000000, 0.0001507500000000, -0.0038619000000000 ] - [ 0.0002656400000000, 0.0004472900000000, -0.0036315800000000 ] - [ 0.0002138800000000, 0.0001316900000000, -0.0037905000000000 ] - [ -0.0003134600000000, -0.0036972300000000, 0.0000461400000000 ] - [ 0.0007123900000000, 0.0006289400000000, 0.0002289900000000 ] - [ -0.0007123900000000, 0.0006289400000000, -0.0002289900000000 ] - [ 0.0003134600000000, -0.0036972300000000, -0.0000461400000000 ] - [ -0.0019537800000000, 0.0034642000000000, 0.0016390900000000 ] - [ 0.0000745000000000, 0.0036047100000000, -0.0000653300000000 ] - [ 0.0019537800000000, 0.0034642000000000, -0.0016390900000000 ] - [ -0.0000745000000000, 0.0036047100000000, 0.0000653300000000 ] - [ 0.0001731100000000, -0.0045912900000000, -0.0000806800000000 ] - [ -0.0002395000000000, -0.0040798200000000, 0.0000548100000000 ] - [ -0.0001731100000000, -0.0045912900000000, 0.0000806800000000 ] - [ 0.0002395000000000, -0.0040798200000000, -0.0000548100000000 ] - [ 0.0001379300000000, 0.0039756800000000, -0.0002012700000000 ] - [ -0.0006528600000000, 0.0019173600000000, -0.0011073600000000 ] - [ 0.0006528600000000, 0.0019173600000000, 0.0011073600000000 ] - [ -0.0001379300000000, 0.0039756800000000, 0.0002012700000000 ]- atom: 9 displacement: [ -0.0032276650590697, 0.0000000000000000, 0.0094647862240233 ] forces: - [ -0.0002153200000000, 0.0006344600000000, 0.0008397100000000 ] - [ 0.0000199600000000, 0.0000303500000000, 0.0000192900000000 ] - [ -0.0002177100000000, -0.0006424300000000, 0.0008505400000000 ] - [ 0.0000194400000000, -0.0000299400000000, 0.0000196700000000 ] - [ -0.0003508500000000, 0.0004015200000000, -0.0008210300000000 ] - [ -0.0003489000000000, -0.0004007400000000, -0.0008236200000000 ] - [ -0.0000211200000000, -0.0000265400000000, 0.0004391600000000 ] - [ -0.0000216200000000, 0.0000268300000000, 0.0004393200000000 ] - [ -0.0001109000000000, 0.0018355000000000, -0.0189990100000000 ] - [ -0.0000282500000000, 0.0019056300000000, -0.0004552800000000 ] - [ -0.0000474000000000, 0.0019032900000000, 0.0005251700000000 ] - [ 0.0000011900000000, 0.0019062100000000, 0.0004940400000000 ] - [ -0.0001183100000000, -0.0021934700000000, -0.0008323100000000 ] - [ -0.0001171700000000, -0.0016196000000000, -0.0008341100000000 ] - [ -0.0000399900000000, -0.0018962400000000, 0.0004998300000000 ] - [ -0.0000400100000000, -0.0019129700000000, 0.0004998400000000 ] - [ -0.0000610900000000, -0.0000877200000000, 0.0000186600000000 ] - [ 0.0001073900000000, -0.0001850400000000, 0.0001121900000000 ] - [ 0.0001065500000000, 0.0001845400000000, 0.0001129200000000 ] - [ -0.0000612400000000, 0.0000882300000000, 0.0000187100000000 ] - [ -0.0000597500000000, -0.0000011800000000, -0.0007856700000000 ] - [ -0.0000196800000000, 0.0000001400000000, -0.0003850500000000 ] - [ -0.0000087600000000, 0.0000001600000000, 0.0004749000000000 ] - [ 0.0000363500000000, 0.0000002700000000, 0.0004103100000000 ] - [ -0.0000172600000000, 0.0018791600000000, -0.0004100000000000 ] - [ -0.0000171700000000, 0.0019348500000000, -0.0004104700000000 ] - [ 0.0000307200000000, 0.0019236400000000, 0.0003754800000000 ] - [ 0.0000306200000000, 0.0018874100000000, 0.0003754500000000 ] - [ -0.0000120800000000, -0.0019032600000000, -0.0008183300000000 ] - [ 0.0000048400000000, -0.0019064200000000, -0.0003944500000000 ] - [ 0.0000063300000000, -0.0019031500000000, 0.0003898100000000 ] - [ 0.0000666400000000, -0.0019067600000000, 0.0003914000000000 ] - [ -0.0017357300000000, -0.0013712300000000, -0.0014471700000000 ] - [ 0.0002848800000000, -0.0018362400000000, -0.0022910600000000 ] - [ 0.0005149000000000, -0.0017523000000000, -0.0031765700000000 ] - [ 0.0012177700000000, -0.0019212500000000, -0.0031251400000000 ] - [ 0.0006049700000000, -0.0019291800000000, 0.0055739500000000 ] - [ -0.0000074700000000, 0.0003871200000000, 0.0039665100000000 ] - [ -0.0002231700000000, -0.0003652300000000, 0.0033736000000000 ] - [ -0.0005518000000000, -0.0002062300000000, 0.0032442400000000 ] - [ 0.0013337200000000, 0.0058708800000000, 0.0055512400000000 ] - [ -0.0001942600000000, 0.0015569500000000, 0.0028230400000000 ] - [ -0.0002822300000000, 0.0021360000000000, 0.0017577300000000 ] - [ -0.0009472800000000, 0.0020813200000000, 0.0021858900000000 ] - [ -0.0009896700000000, -0.0018536100000000, 0.0029378500000000 ] - [ -0.0031534000000000, -0.0023034000000000, 0.0038779600000000 ] - [ -0.0000589800000000, -0.0017685200000000, 0.0021043400000000 ] - [ -0.0007582400000000, -0.0019391400000000, 0.0020523700000000 ] - [ 0.0010789000000000, 0.0021331100000000, -0.0024050100000000 ] - [ 0.0025684800000000, -0.0021163400000000, 0.0002780900000000 ] - [ 0.0003316100000000, 0.0016104200000000, -0.0030424900000000 ] - [ 0.0009939200000000, 0.0015545800000000, -0.0034721000000000 ] - [ 0.0005880200000000, -0.0003851900000000, -0.0036227700000000 ] - [ 0.0011663900000000, 0.0018914900000000, -0.0020398200000000 ] - [ 0.0000472900000000, 0.0002067600000000, -0.0043420800000000 ] - [ 0.0003748900000000, 0.0003665900000000, -0.0042174000000000 ] - [ 0.0006161100000000, -0.0019169300000000, -0.0024815400000000 ] - [ 0.0006983600000000, -0.0019808800000000, -0.0024883400000000 ] - [ 0.0003384800000000, -0.0015613800000000, -0.0028995400000000 ] - [ 0.0007674300000000, -0.0018458800000000, -0.0028380100000000 ] - [ -0.0003156900000000, -0.0001134000000000, 0.0039483800000000 ] - [ -0.0001781000000000, -0.0004866500000000, 0.0039960500000000 ] - [ -0.0004229000000000, 0.0000451500000000, 0.0035989900000000 ] - [ -0.0003269700000000, 0.0004960700000000, 0.0032861300000000 ] - [ -0.0009920000000000, 0.0020380500000000, 0.0027815000000000 ] - [ -0.0004891900000000, 0.0019541900000000, 0.0026543900000000 ] - [ -0.0005679100000000, 0.0018273800000000, 0.0024167500000000 ] - [ -0.0005631700000000, 0.0018435500000000, 0.0023389800000000 ] - [ -0.0005788300000000, -0.0017092400000000, 0.0027417900000000 ] - [ -0.0006595700000000, -0.0017736700000000, 0.0027473300000000 ] - [ -0.0005079000000000, -0.0018433200000000, 0.0023925200000000 ] - [ -0.0009394000000000, -0.0021308000000000, 0.0023281500000000 ] - [ 0.0007870900000000, 0.0017382800000000, -0.0025745500000000 ] - [ 0.0002841900000000, 0.0016531200000000, -0.0024474900000000 ] - [ 0.0007120200000000, 0.0018469500000000, -0.0028898800000000 ] - [ 0.0007089200000000, 0.0018638500000000, -0.0028129500000000 ] - [ 0.0004207800000000, 0.0004855100000000, -0.0035924400000000 ] - [ 0.0002813500000000, 0.0001134000000000, -0.0036404100000000 ] - [ 0.0002696200000000, -0.0004950600000000, -0.0043028100000000 ] - [ 0.0001745100000000, -0.0000447700000000, -0.0039907300000000 ] - [ -0.0023941900000000, -0.0034115600000000, 0.0014069900000000 ] - [ 0.0018342800000000, -0.0035260100000000, 0.0018810900000000 ] - [ 0.0018407600000000, -0.0039824500000000, 0.0018844800000000 ] - [ -0.0024025400000000, -0.0040938500000000, 0.0014129100000000 ] - [ -0.0000249800000000, 0.0014732900000000, 0.0025931600000000 ] - [ -0.0000863500000000, 0.0034232200000000, -0.0000789700000000 ] - [ -0.0000193600000000, 0.0060510100000000, 0.0026089200000000 ] - [ -0.0000895900000000, 0.0040837500000000, -0.0000762600000000 ] - [ -0.0001345000000000, -0.0040686100000000, 0.0001268900000000 ] - [ 0.0002869200000000, -0.0036822500000000, 0.0000390600000000 ] - [ -0.0001326200000000, -0.0034355800000000, 0.0001264800000000 ] - [ 0.0002859200000000, -0.0038255900000000, 0.0000399300000000 ] - [ -0.0001840100000000, 0.0040601000000000, 0.0001099400000000 ] - [ 0.0005959600000000, 0.0049383100000000, 0.0008301100000000 ] - [ 0.0005942000000000, 0.0025735000000000, 0.0008314200000000 ] - [ -0.0001860900000000, 0.0034450900000000, 0.0001093000000000 ]- atom: 33 displacement: [ 0.0099999981368522, 0.0000000000000000, 0.0000061043388591 ] forces: - [ 0.0024723500000000, 0.0022203900000000, 0.0019168200000000 ] - [ -0.0007869400000000, 0.0001622100000000, 0.0000607000000000 ] - [ 0.0000057600000000, -0.0000039700000000, 0.0000719500000000 ] - [ -0.0000554400000000, 0.0000129200000000, -0.0000544700000000 ] - [ 0.0015810800000000, -0.0018044900000000, 0.0012287100000000 ] - [ -0.0002485400000000, -0.0000038200000000, 0.0000619800000000 ] - [ -0.0000655900000000, 0.0002140100000000, 0.0005601300000000 ] - [ -0.0001328900000000, -0.0003030000000000, -0.0003919900000000 ] - [ 0.0028448300000000, 0.0020002400000000, -0.0015271800000000 ] - [ -0.0004361300000000, 0.0019606000000000, -0.0005242200000000 ] - [ 0.0005732700000000, 0.0018102300000000, 0.0000649300000000 ] - [ -0.0006531600000000, 0.0020414100000000, 0.0003897900000000 ] - [ 0.0023133000000000, 0.0010832900000000, 0.0028761700000000 ] - [ -0.0005461300000000, -0.0018597000000000, 0.0002812000000000 ] - [ 0.0001319600000000, -0.0021816200000000, 0.0004221200000000 ] - [ -0.0003679400000000, -0.0017110100000000, -0.0004491600000000 ] - [ 0.0004769000000000, -0.0003794600000000, 0.0000558900000000 ] - [ -0.0005924000000000, 0.0004487400000000, -0.0001759200000000 ] - [ 0.0000941900000000, 0.0000457400000000, 0.0000518500000000 ] - [ -0.0000539400000000, -0.0000102400000000, -0.0000445000000000 ] - [ -0.0000057800000000, 0.0003541600000000, 0.0004041500000000 ] - [ -0.0001794800000000, -0.0003492600000000, -0.0004638100000000 ] - [ 0.0004829800000000, -0.0002059700000000, -0.0000154100000000 ] - [ -0.0001672800000000, -0.0000074100000000, 0.0000346100000000 ] - [ 0.0002556300000000, 0.0020772400000000, 0.0001491100000000 ] - [ -0.0001667500000000, 0.0018532900000000, -0.0000823900000000 ] - [ 0.0001300800000000, 0.0019223800000000, 0.0001801900000000 ] - [ -0.0003132400000000, 0.0021798600000000, -0.0004260900000000 ] - [ 0.0000598000000000, -0.0021233300000000, 0.0001799800000000 ] - [ -0.0002542500000000, -0.0015966400000000, -0.0004602400000000 ] - [ 0.0003275200000000, -0.0016433300000000, 0.0001919200000000 ] - [ -0.0001909800000000, -0.0019703400000000, 0.0000115100000000 ] - [ -0.0599660800000000, 0.0079801400000000, 0.0041823800000000 ] - [ 0.0026110900000000, -0.0023731000000000, -0.0025764000000000 ] - [ 0.0006022500000000, -0.0015983500000000, -0.0030987200000000 ] - [ 0.0008394300000000, -0.0019581200000000, -0.0021743500000000 ] - [ -0.0006734600000000, 0.0002230600000000, 0.0030264600000000 ] - [ -0.0001243500000000, 0.0000184400000000, 0.0040177800000000 ] - [ -0.0007614300000000, -0.0029896500000000, 0.0012463800000000 ] - [ 0.0005013700000000, 0.0003466000000000, 0.0042585900000000 ] - [ -0.0006739400000000, 0.0018413800000000, 0.0015156900000000 ] - [ -0.0004970600000000, 0.0017151200000000, 0.0028941800000000 ] - [ -0.0039530900000000, 0.0046107000000000, -0.0004574400000000 ] - [ 0.0034165900000000, 0.0014353400000000, 0.0027780000000000 ] - [ -0.0004562800000000, -0.0017051600000000, 0.0034476900000000 ] - [ -0.0004701500000000, -0.0018963900000000, 0.0023522500000000 ] - [ 0.0072294000000000, -0.0000878100000000, -0.0009033100000000 ] - [ 0.0037802800000000, -0.0012627500000000, 0.0062908900000000 ] - [ 0.0081247200000000, 0.0059701900000000, -0.0026901600000000 ] - [ 0.0080454400000000, -0.0000357200000000, -0.0014869000000000 ] - [ 0.0006088800000000, 0.0019108300000000, -0.0028782900000000 ] - [ 0.0006106000000000, 0.0019257000000000, -0.0025224700000000 ] - [ 0.0044037100000000, -0.0056641100000000, -0.0040625600000000 ] - [ 0.0018233900000000, 0.0007059500000000, -0.0031556300000000 ] - [ 0.0001681000000000, -0.0000998800000000, -0.0042320000000000 ] - [ 0.0002652100000000, 0.0000473600000000, -0.0036774900000000 ] - [ 0.0007831700000000, -0.0023107800000000, -0.0025593600000000 ] - [ 0.0007879900000000, -0.0020770200000000, -0.0026924000000000 ] - [ 0.0005940400000000, -0.0017566900000000, -0.0027243300000000 ] - [ 0.0005948400000000, -0.0019808800000000, -0.0024604700000000 ] - [ -0.0002939200000000, 0.0001351000000000, 0.0040637200000000 ] - [ -0.0002991700000000, -0.0000850500000000, 0.0035776700000000 ] - [ 0.0000815700000000, 0.0004574400000000, 0.0036095600000000 ] - [ 0.0016254300000000, -0.0048464100000000, 0.0065103900000000 ] - [ -0.0007199200000000, 0.0017232100000000, 0.0027826600000000 ] - [ -0.0005863500000000, 0.0018815200000000, 0.0025514300000000 ] - [ -0.0000740000000000, 0.0010357900000000, 0.0024028500000000 ] - [ -0.0004298600000000, 0.0012082200000000, 0.0026087200000000 ] - [ -0.0006874900000000, -0.0019645800000000, 0.0024120300000000 ] - [ -0.0005612200000000, -0.0017690400000000, 0.0027539900000000 ] - [ -0.0017118700000000, -0.0027161900000000, 0.0026476400000000 ] - [ 0.0002156200000000, -0.0014861400000000, 0.0025200500000000 ] - [ -0.0006868700000000, 0.0013008500000000, -0.0023965900000000 ] - [ 0.0016018400000000, 0.0021907600000000, -0.0027767300000000 ] - [ 0.0006140700000000, 0.0017102100000000, -0.0029385600000000 ] - [ 0.0007211600000000, 0.0019293200000000, -0.0024692800000000 ] - [ -0.0007489400000000, -0.0026118100000000, -0.0039793800000000 ] - [ 0.0015200000000000, 0.0007855500000000, -0.0035151700000000 ] - [ 0.0002594400000000, -0.0001148600000000, -0.0040726400000000 ] - [ 0.0004886000000000, 0.0000408100000000, -0.0034886000000000 ] - [ 0.0178539000000000, -0.0059618100000000, -0.0112865400000000 ] - [ -0.0053167800000000, -0.0047911200000000, -0.0011145500000000 ] - [ 0.0008607600000000, -0.0038092000000000, 0.0005782800000000 ] - [ -0.0003481300000000, -0.0038391800000000, -0.0002621000000000 ] - [ 0.0079811400000000, 0.0005340500000000, 0.0020196800000000 ] - [ -0.0061021700000000, 0.0016184200000000, 0.0000710700000000 ] - [ -0.0000527900000000, 0.0037452000000000, 0.0006243500000000 ] - [ -0.0005359200000000, 0.0035689300000000, -0.0005910300000000 ] - [ 0.0013540400000000, -0.0011733500000000, 0.0005071000000000 ] - [ -0.0012381600000000, -0.0041056200000000, -0.0000811900000000 ] - [ 0.0002643800000000, -0.0036078200000000, 0.0001832500000000 ] - [ -0.0002526300000000, -0.0037462700000000, -0.0002808300000000 ] - [ 0.0019719200000000, 0.0076088600000000, 0.0006001200000000 ] - [ -0.0016416600000000, 0.0026169300000000, -0.0002582300000000 ] - [ 0.0004024100000000, 0.0035263000000000, 0.0004574500000000 ] - [ -0.0002758800000000, 0.0038434400000000, -0.0002068900000000 ]- atom: 33 displacement: [ -0.0099999981368522, 0.0000000000000000, -0.0000061043388591 ] forces: - [ -0.0024758600000000, -0.0022855300000000, -0.0019671200000000 ] - [ 0.0007846100000000, -0.0001611300000000, -0.0000608500000000 ] - [ -0.0000066200000000, 0.0000038500000000, -0.0000714300000000 ] - [ 0.0000560800000000, -0.0000139700000000, 0.0000546700000000 ] - [ -0.0015798600000000, 0.0017713500000000, -0.0012043400000000 ] - [ 0.0002470300000000, 0.0000041400000000, -0.0000629600000000 ] - [ 0.0000666000000000, -0.0002126900000000, -0.0005573500000000 ] - [ 0.0001324700000000, 0.0003040100000000, 0.0003921200000000 ] - [ -0.0029758000000000, 0.0017864400000000, 0.0016517500000000 ] - [ 0.0004395900000000, 0.0018465700000000, 0.0005186700000000 ] - [ -0.0005717700000000, 0.0019961900000000, -0.0000675900000000 ] - [ 0.0006539000000000, 0.0017674600000000, -0.0003885500000000 ] - [ -0.0023243700000000, -0.0048460500000000, -0.0028314000000000 ] - [ 0.0005441300000000, -0.0019480600000000, -0.0002820100000000 ] - [ -0.0001303600000000, -0.0016270300000000, -0.0004180000000000 ] - [ 0.0003642800000000, -0.0020969400000000, 0.0004520600000000 ] - [ -0.0004714800000000, 0.0003801200000000, -0.0000554600000000 ] - [ 0.0005890200000000, -0.0004516200000000, 0.0001773600000000 ] - [ -0.0000936400000000, -0.0000453500000000, -0.0000509000000000 ] - [ 0.0000536100000000, 0.0000100200000000, 0.0000441700000000 ] - [ 0.0000022300000000, -0.0003542800000000, -0.0004038800000000 ] - [ 0.0001792400000000, 0.0003472200000000, 0.0004604300000000 ] - [ -0.0004823000000000, 0.0002062600000000, 0.0000136900000000 ] - [ 0.0001668800000000, 0.0000065100000000, -0.0000325000000000 ] - [ -0.0002515800000000, 0.0017304000000000, -0.0001500300000000 ] - [ 0.0001674700000000, 0.0019530100000000, 0.0000783100000000 ] - [ -0.0001271500000000, 0.0018842600000000, -0.0001812000000000 ] - [ 0.0003123400000000, 0.0016280700000000, 0.0004223300000000 ] - [ -0.0000632200000000, -0.0016812200000000, -0.0001769400000000 ] - [ 0.0002519500000000, -0.0022084800000000, 0.0004599600000000 ] - [ -0.0003289200000000, -0.0021631800000000, -0.0001887200000000 ] - [ 0.0001885800000000, -0.0018393600000000, -0.0000074000000000 ] - [ 0.0604498700000000, -0.0117942200000000, -0.0084262600000000 ] - [ -0.0013314200000000, -0.0013227000000000, -0.0026496900000000 ] - [ 0.0006762300000000, -0.0020924300000000, -0.0021328000000000 ] - [ 0.0004349900000000, -0.0017312000000000, -0.0030579300000000 ] - [ 0.0000758100000000, -0.0002182900000000, 0.0045569300000000 ] - [ -0.0004727400000000, -0.0000195400000000, 0.0035744400000000 ] - [ 0.0001446200000000, 0.0029810100000000, 0.0063354900000000 ] - [ -0.0010957900000000, -0.0003496600000000, 0.0033318400000000 ] - [ -0.0005943000000000, 0.0018485000000000, 0.0037091900000000 ] - [ -0.0007801100000000, 0.0019755400000000, 0.0023369000000000 ] - [ 0.0026492900000000, -0.0009195700000000, 0.0056930900000000 ] - [ -0.0046818900000000, 0.0022547100000000, 0.0024476800000000 ] - [ -0.0008216600000000, -0.0019886500000000, 0.0017730000000000 ] - [ -0.0008045400000000, -0.0017945000000000, 0.0028792800000000 ] - [ -0.0084418500000000, -0.0035943700000000, 0.0061213500000000 ] - [ -0.0050613000000000, -0.0024331100000000, -0.0010832200000000 ] - [ -0.0067732400000000, -0.0022260500000000, -0.0025294900000000 ] - [ -0.0068513100000000, 0.0037584200000000, -0.0037468300000000 ] - [ 0.0006665900000000, 0.0017790700000000, -0.0023545900000000 ] - [ 0.0006684600000000, 0.0017669600000000, -0.0027079500000000 ] - [ -0.0037576100000000, 0.0055940300000000, -0.0035238500000000 ] - [ -0.0012194800000000, -0.0007080200000000, -0.0044340900000000 ] - [ 0.0004277700000000, 0.0001008100000000, -0.0033613500000000 ] - [ 0.0003326200000000, -0.0000487600000000, -0.0039135300000000 ] - [ 0.0004903300000000, -0.0013808400000000, -0.0026693900000000 ] - [ 0.0004948700000000, -0.0016152500000000, -0.0025387500000000 ] - [ 0.0006805700000000, -0.0019341900000000, -0.0025054200000000 ] - [ 0.0006817400000000, -0.0017108200000000, -0.0027680600000000 ] - [ -0.0003054400000000, -0.0001360900000000, 0.0035266800000000 ] - [ -0.0002974400000000, 0.0000848500000000, 0.0040144800000000 ] - [ -0.0006806100000000, -0.0004550700000000, 0.0039774200000000 ] - [ -0.0022407700000000, 0.0048277800000000, 0.0010960600000000 ] - [ -0.0005579100000000, 0.0019680100000000, 0.0024478900000000 ] - [ -0.0006900900000000, 0.0018080300000000, 0.0026798500000000 ] - [ -0.0012024300000000, 0.0026522900000000, 0.0028227300000000 ] - [ -0.0008385700000000, 0.0024738600000000, 0.0026222800000000 ] - [ -0.0005887800000000, -0.0017266200000000, 0.0028184500000000 ] - [ -0.0007147600000000, -0.0019219000000000, 0.0024758800000000 ] - [ 0.0004295500000000, -0.0009801600000000, 0.0025810700000000 ] - [ -0.0014898000000000, -0.0022038200000000, 0.0027086400000000 ] - [ 0.0019544900000000, 0.0023950200000000, -0.0028272100000000 ] - [ -0.0003220400000000, 0.0015012300000000, -0.0024525100000000 ] - [ 0.0006622100000000, 0.0019810700000000, -0.0022920100000000 ] - [ 0.0005554400000000, 0.0017611000000000, -0.0027613000000000 ] - [ 0.0013603300000000, 0.0025775700000000, -0.0036034800000000 ] - [ -0.0009193900000000, -0.0007773200000000, -0.0040750500000000 ] - [ 0.0003389400000000, 0.0001133000000000, -0.0035167000000000 ] - [ 0.0001085500000000, -0.0000417100000000, -0.0041028900000000 ] - [ -0.0169265300000000, -0.0016206300000000, 0.0104234000000000 ] - [ 0.0052947300000000, -0.0026894700000000, 0.0011145200000000 ] - [ -0.0008635100000000, -0.0036997600000000, -0.0005647900000000 ] - [ 0.0003445400000000, -0.0036662200000000, 0.0002609600000000 ] - [ -0.0080023400000000, 0.0072606100000000, -0.0022753100000000 ] - [ 0.0060829500000000, 0.0058746500000000, -0.0000780200000000 ] - [ 0.0000440500000000, 0.0037612400000000, -0.0006268600000000 ] - [ 0.0005426000000000, 0.0039434000000000, 0.0005966200000000 ] - [ -0.0013626800000000, -0.0063118700000000, -0.0005141200000000 ] - [ 0.0012376900000000, -0.0034061100000000, 0.0000833500000000 ] - [ -0.0002653600000000, -0.0038945500000000, -0.0001852200000000 ] - [ 0.0002534300000000, -0.0037612200000000, 0.0002830200000000 ] - [ -0.0019456400000000, -0.0000857400000000, -0.0005907100000000 ] - [ 0.0016274700000000, 0.0048910300000000, 0.0002547400000000 ] - [ -0.0004013200000000, 0.0039735300000000, -0.0004490500000000 ] - [ 0.0002748300000000, 0.0036618100000000, 0.0002043100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020148100000000, 0.0046718200000000, 0.0031919000000000 ] - [ 0.0004940200000000, 0.0001267600000000, -0.0001533200000000 ] - [ -0.0001475700000000, 0.0000332600000000, 0.0000025000000000 ] - [ 0.0000746100000000, -0.0000119000000000, 0.0000374400000000 ] - [ -0.0009778300000000, 0.0020013400000000, -0.0014977400000000 ] - [ 0.0000222300000000, 0.0000543100000000, 0.0000338600000000 ] - [ 0.0002375700000000, 0.0000972700000000, -0.0003013100000000 ] - [ 0.0000857000000000, 0.0000408400000000, 0.0002530200000000 ] - [ -0.0008433200000000, 0.0023683000000000, 0.0001972900000000 ] - [ 0.0002616200000000, 0.0021601200000000, 0.0000978800000000 ] - [ -0.0001322200000000, 0.0024107500000000, 0.0000522900000000 ] - [ 0.0002335700000000, 0.0019502300000000, -0.0000052400000000 ] - [ 0.0029828000000000, 0.0044611000000000, 0.0053075800000000 ] - [ 0.0002232900000000, -0.0019347900000000, -0.0002267300000000 ] - [ -0.0004368800000000, -0.0018434700000000, 0.0001583900000000 ] - [ 0.0002003700000000, -0.0017412600000000, 0.0003182500000000 ] - [ -0.0004728900000000, -0.0002374600000000, 0.0000924100000000 ] - [ 0.0003862500000000, -0.0001999400000000, -0.0000261700000000 ] - [ -0.0000278700000000, -0.0000017300000000, -0.0000312700000000 ] - [ 0.0000308500000000, -0.0000226700000000, 0.0000344600000000 ] - [ 0.0002262600000000, -0.0001018400000000, -0.0004464500000000 ] - [ -0.0000084500000000, -0.0000688600000000, 0.0000123800000000 ] - [ -0.0001690700000000, -0.0002697200000000, 0.0003600000000000 ] - [ 0.0000900000000000, -0.0000368700000000, 0.0000815500000000 ] - [ -0.0002421100000000, 0.0014670400000000, -0.0002284800000000 ] - [ 0.0000940200000000, 0.0018722200000000, -0.0000455300000000 ] - [ -0.0000832800000000, 0.0017737600000000, -0.0000314900000000 ] - [ 0.0003097700000000, 0.0016427900000000, 0.0004051200000000 ] - [ -0.0002724800000000, -0.0022286900000000, 0.0000220900000000 ] - [ 0.0001623700000000, -0.0021125400000000, 0.0002600000000000 ] - [ -0.0003303200000000, -0.0021636700000000, -0.0001122900000000 ] - [ 0.0001529000000000, -0.0018914200000000, 0.0000345600000000 ] - [ 0.0107925200000000, -0.0520387900000000, 0.0111540300000000 ] - [ 0.0001088900000000, -0.0021149200000000, -0.0025358400000000 ] - [ 0.0008859800000000, -0.0022625800000000, -0.0026273000000000 ] - [ 0.0005240900000000, -0.0018287800000000, -0.0027316400000000 ] - [ -0.0002414600000000, 0.0003507000000000, 0.0024411600000000 ] - [ -0.0004115300000000, -0.0000438600000000, 0.0036513400000000 ] - [ -0.0018986100000000, 0.0026619200000000, 0.0067272300000000 ] - [ -0.0007932300000000, -0.0001738700000000, 0.0037910300000000 ] - [ -0.0006402700000000, 0.0014633900000000, 0.0029224900000000 ] - [ -0.0007685700000000, 0.0018536600000000, 0.0026050600000000 ] - [ 0.0021370600000000, 0.0018645500000000, -0.0027646000000000 ] - [ -0.0010547500000000, 0.0017495600000000, 0.0024521300000000 ] - [ -0.0007800100000000, -0.0023816000000000, 0.0021134900000000 ] - [ -0.0005865700000000, -0.0018812800000000, 0.0026271000000000 ] - [ -0.0024156600000000, -0.0013875500000000, 0.0034391000000000 ] - [ -0.0012211900000000, -0.0036531800000000, 0.0018949000000000 ] - [ 0.0025277400000000, 0.0016842000000000, -0.0027945800000000 ] - [ -0.0034712500000000, 0.0016871200000000, -0.0023771500000000 ] - [ 0.0005578200000000, 0.0016513500000000, -0.0027609100000000 ] - [ 0.0005721700000000, 0.0016513300000000, -0.0029627400000000 ] - [ -0.0031916500000000, 0.0027976300000000, -0.0027798800000000 ] - [ 0.0014565800000000, 0.0000593700000000, -0.0030116600000000 ] - [ 0.0001268400000000, 0.0000209100000000, -0.0037871800000000 ] - [ 0.0003447400000000, -0.0000508900000000, -0.0038519800000000 ] - [ 0.0004080700000000, -0.0013228300000000, -0.0028193800000000 ] - [ 0.0001709500000000, -0.0013226400000000, -0.0024306500000000 ] - [ 0.0005027300000000, -0.0016817200000000, -0.0027191300000000 ] - [ 0.0007269800000000, -0.0016807200000000, -0.0028158600000000 ] - [ -0.0001973200000000, 0.0000189400000000, 0.0039674400000000 ] - [ -0.0002625500000000, 0.0000525100000000, 0.0039342200000000 ] - [ -0.0003150200000000, 0.0002545400000000, 0.0038299500000000 ] - [ -0.0013769200000000, 0.0058111400000000, 0.0014296600000000 ] - [ -0.0007601500000000, 0.0021242600000000, 0.0024403400000000 ] - [ -0.0006015900000000, 0.0019129100000000, 0.0025666900000000 ] - [ -0.0014447900000000, 0.0028012100000000, 0.0027351400000000 ] - [ -0.0012745000000000, 0.0033949000000000, 0.0025716800000000 ] - [ -0.0005191900000000, -0.0015178900000000, 0.0028230400000000 ] - [ -0.0007142400000000, -0.0018473700000000, 0.0025691100000000 ] - [ 0.0002322800000000, -0.0009493400000000, 0.0028303500000000 ] - [ -0.0009985000000000, -0.0017653300000000, 0.0027219900000000 ] - [ 0.0011883700000000, 0.0047086900000000, -0.0016903800000000 ] - [ 0.0002916000000000, 0.0020414400000000, -0.0024751900000000 ] - [ 0.0007734400000000, 0.0022374000000000, -0.0024475900000000 ] - [ 0.0005539000000000, 0.0018169500000000, -0.0026963200000000 ] - [ -0.0002671900000000, 0.0081350700000000, -0.0040543400000000 ] - [ 0.0000459200000000, 0.0002964500000000, -0.0039523800000000 ] - [ 0.0003513700000000, 0.0002478800000000, -0.0040367600000000 ] - [ 0.0001343700000000, -0.0000313800000000, -0.0039976400000000 ] - [ 0.0033786500000000, 0.0005431500000000, -0.0049488600000000 ] - [ 0.0012215200000000, -0.0017091600000000, 0.0003002200000000 ] - [ -0.0002525400000000, -0.0027853700000000, 0.0003861300000000 ] - [ 0.0002080900000000, -0.0035048000000000, 0.0002013700000000 ] - [ -0.0092756000000000, 0.0193287700000000, -0.0131026400000000 ] - [ 0.0002967900000000, 0.0040078000000000, 0.0006494800000000 ] - [ -0.0002901200000000, 0.0039537200000000, 0.0000923100000000 ] - [ 0.0004133100000000, 0.0042112100000000, 0.0001555100000000 ] - [ -0.0008155700000000, -0.0089305300000000, -0.0004126100000000 ] - [ 0.0007206200000000, -0.0045509400000000, 0.0002805000000000 ] - [ -0.0003141900000000, -0.0042203100000000, -0.0000504100000000 ] - [ 0.0002986300000000, -0.0040889500000000, 0.0000972500000000 ] - [ -0.0002578000000000, 0.0005380300000000, -0.0002737300000000 ] - [ 0.0009928500000000, 0.0030448300000000, -0.0007780700000000 ] - [ 0.0001850800000000, 0.0028219300000000, 0.0002775800000000 ] - [ 0.0001438500000000, 0.0036620800000000, 0.0001614600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021353800000000, -0.0048233200000000, -0.0033402900000000 ] - [ -0.0004923500000000, -0.0001301400000000, 0.0001547300000000 ] - [ 0.0001476800000000, -0.0000338500000000, -0.0000022100000000 ] - [ -0.0000745800000000, 0.0000114500000000, -0.0000374900000000 ] - [ 0.0010353100000000, -0.0020854100000000, 0.0015990900000000 ] - [ -0.0000218900000000, -0.0000553700000000, -0.0000339800000000 ] - [ -0.0002387200000000, -0.0001001600000000, 0.0002992200000000 ] - [ -0.0000848600000000, -0.0000413100000000, -0.0002516500000000 ] - [ 0.0008533900000000, 0.0014352100000000, -0.0002086800000000 ] - [ -0.0002586900000000, 0.0016398300000000, -0.0000987700000000 ] - [ 0.0001333900000000, 0.0013958200000000, -0.0000555700000000 ] - [ -0.0002277600000000, 0.0018547900000000, -0.0000006900000000 ] - [ -0.0028946700000000, -0.0081591100000000, -0.0051368400000000 ] - [ -0.0002242200000000, -0.0018736100000000, 0.0002294100000000 ] - [ 0.0004336900000000, -0.0019628400000000, -0.0001589600000000 ] - [ -0.0002005800000000, -0.0020593500000000, -0.0003156900000000 ] - [ 0.0004711600000000, 0.0002415900000000, -0.0000924500000000 ] - [ -0.0003842100000000, 0.0002009600000000, 0.0000254500000000 ] - [ 0.0000279900000000, 0.0000024600000000, 0.0000315600000000 ] - [ -0.0000307600000000, 0.0000226100000000, -0.0000343500000000 ] - [ -0.0002262000000000, 0.0001039400000000, 0.0004452100000000 ] - [ 0.0000089800000000, 0.0000711900000000, -0.0000104000000000 ] - [ 0.0001675600000000, 0.0002707500000000, -0.0003602400000000 ] - [ -0.0000896100000000, 0.0000376800000000, -0.0000820300000000 ] - [ 0.0002427000000000, 0.0023375700000000, 0.0002239800000000 ] - [ -0.0000914500000000, 0.0019357700000000, 0.0000430400000000 ] - [ 0.0000841700000000, 0.0020343800000000, 0.0000288300000000 ] - [ -0.0003071900000000, 0.0021601100000000, -0.0004066500000000 ] - [ 0.0002715700000000, -0.0015750100000000, -0.0000207800000000 ] - [ -0.0001635600000000, -0.0016896600000000, -0.0002575300000000 ] - [ 0.0003278900000000, -0.0016437900000000, 0.0001150900000000 ] - [ -0.0001547700000000, -0.0019181600000000, -0.0000315600000000 ] - [ -0.0089667100000000, 0.0480048900000000, -0.0159582300000000 ] - [ 0.0011596400000000, -0.0015730800000000, -0.0026949100000000 ] - [ 0.0003919500000000, -0.0014290100000000, -0.0026007500000000 ] - [ 0.0007511100000000, -0.0018603200000000, -0.0024987500000000 ] - [ -0.0003580500000000, -0.0003483200000000, 0.0051533900000000 ] - [ -0.0001865000000000, 0.0000436100000000, 0.0039375100000000 ] - [ 0.0013094500000000, -0.0026613500000000, 0.0008449500000000 ] - [ 0.0001908000000000, 0.0001760400000000, 0.0037962700000000 ] - [ -0.0006328900000000, 0.0022253600000000, 0.0023019900000000 ] - [ -0.0005084500000000, 0.0018376600000000, 0.0026221100000000 ] - [ -0.0033999600000000, 0.0018041400000000, 0.0079702700000000 ] - [ -0.0002361300000000, 0.0019399100000000, 0.0027757900000000 ] - [ -0.0004973300000000, -0.0013076000000000, 0.0031149000000000 ] - [ -0.0006884100000000, -0.0018094600000000, 0.0026023300000000 ] - [ 0.0010913600000000, -0.0023208400000000, 0.0018169500000000 ] - [ -0.0000519900000000, -0.0000464500000000, 0.0033368200000000 ] - [ -0.0012662500000000, 0.0019936700000000, -0.0024331400000000 ] - [ 0.0047256800000000, 0.0019964200000000, -0.0028493100000000 ] - [ 0.0007165000000000, 0.0020386400000000, -0.0024652400000000 ] - [ 0.0007040800000000, 0.0020385500000000, -0.0022685900000000 ] - [ 0.0038156500000000, -0.0028020300000000, -0.0048117700000000 ] - [ -0.0008662300000000, -0.0000586900000000, -0.0045787100000000 ] - [ 0.0004723500000000, -0.0000192700000000, -0.0037995900000000 ] - [ 0.0002533200000000, 0.0000503700000000, -0.0037383300000000 ] - [ 0.0008698200000000, -0.0023684900000000, -0.0024088300000000 ] - [ 0.0011016400000000, -0.0023682300000000, -0.0027971300000000 ] - [ 0.0007727900000000, -0.0020107300000000, -0.0025080500000000 ] - [ 0.0005495000000000, -0.0020095800000000, -0.0024140500000000 ] - [ -0.0004002900000000, -0.0000211500000000, 0.0036209100000000 ] - [ -0.0003353700000000, -0.0000535500000000, 0.0036554300000000 ] - [ -0.0002841300000000, -0.0002604000000000, 0.0037587400000000 ] - [ 0.0007824200000000, -0.0057862400000000, 0.0061615500000000 ] - [ -0.0005159200000000, 0.0015654500000000, 0.0027902400000000 ] - [ -0.0006755500000000, 0.0017765800000000, 0.0026637900000000 ] - [ 0.0001717600000000, 0.0008889400000000, 0.0024915000000000 ] - [ -0.0000093000000000, 0.0003037700000000, 0.0026551500000000 ] - [ -0.0007570400000000, -0.0021725000000000, 0.0024085000000000 ] - [ -0.0005616200000000, -0.0018441000000000, 0.0026590500000000 ] - [ -0.0015038500000000, -0.0027401200000000, 0.0023959600000000 ] - [ -0.0002809500000000, -0.0019282600000000, 0.0025065600000000 ] - [ 0.0000955100000000, -0.0010241200000000, -0.0035449500000000 ] - [ 0.0009811800000000, 0.0016464400000000, -0.0027537000000000 ] - [ 0.0005028600000000, 0.0014513300000000, -0.0027808000000000 ] - [ 0.0007225400000000, 0.0018728400000000, -0.0025343400000000 ] - [ 0.0008587800000000, -0.0080389600000000, -0.0035321700000000 ] - [ 0.0005476000000000, -0.0003031500000000, -0.0036375900000000 ] - [ 0.0002475900000000, -0.0002491200000000, -0.0035514300000000 ] - [ 0.0004634200000000, 0.0000305100000000, -0.0035905200000000 ] - [ -0.0034599900000000, -0.0080404500000000, 0.0050063600000000 ] - [ -0.0012103000000000, -0.0058009600000000, -0.0002941400000000 ] - [ 0.0002520000000000, -0.0047273400000000, -0.0003821800000000 ] - [ -0.0002089300000000, -0.0040003500000000, -0.0001993000000000 ] - [ 0.0087915000000000, -0.0113884800000000, 0.0125097800000000 ] - [ -0.0002680000000000, 0.0035130500000000, -0.0006451600000000 ] - [ 0.0002846300000000, 0.0035533700000000, -0.0000917700000000 ] - [ -0.0004098200000000, 0.0032960100000000, -0.0001548400000000 ] - [ 0.0008190200000000, 0.0014219600000000, 0.0004173300000000 ] - [ -0.0007204200000000, -0.0029443400000000, -0.0002795400000000 ] - [ 0.0003147000000000, -0.0032794900000000, 0.0000489800000000 ] - [ -0.0002984600000000, -0.0034152400000000, -0.0000947000000000 ] - [ 0.0002590700000000, 0.0069541400000000, 0.0002738100000000 ] - [ -0.0009826900000000, 0.0044608300000000, 0.0007755200000000 ] - [ -0.0001897500000000, 0.0046821100000000, -0.0002768000000000 ] - [ -0.0001429900000000, 0.0038401200000000, -0.0001619500000000 ]- atom: 33 displacement: [ -0.0032276650590697, 0.0000000000000000, 0.0094647862240233 ] forces: - [ 0.0018423900000000, 0.0037960000000000, 0.0036306800000000 ] - [ 0.0002678400000000, -0.0002476600000000, 0.0001232600000000 ] - [ 0.0001979700000000, 0.0000083700000000, -0.0001005100000000 ] - [ -0.0001170800000000, 0.0001624900000000, -0.0000294700000000 ] - [ -0.0002863600000000, -0.0002845100000000, 0.0008538600000000 ] - [ 0.0001390900000000, -0.0000057600000000, 0.0000758600000000 ] - [ 0.0001877300000000, -0.0001504300000000, -0.0006748000000000 ] - [ -0.0000841000000000, -0.0000829600000000, -0.0001856800000000 ] - [ -0.0015439700000000, 0.0016154400000000, 0.0015967200000000 ] - [ -0.0001814400000000, 0.0019132800000000, 0.0003804700000000 ] - [ -0.0002543400000000, 0.0017260700000000, -0.0006142000000000 ] - [ 0.0004411000000000, 0.0017839100000000, -0.0005608000000000 ] - [ 0.0009960900000000, 0.0004346600000000, 0.0026045300000000 ] - [ 0.0001536200000000, -0.0019088600000000, 0.0001126800000000 ] - [ 0.0004688800000000, -0.0017458200000000, -0.0008174300000000 ] - [ -0.0000566000000000, -0.0019115200000000, -0.0003454300000000 ] - [ -0.0000328300000000, 0.0003695400000000, 0.0003713200000000 ] - [ 0.0000247200000000, -0.0001778300000000, 0.0002184400000000 ] - [ -0.0000639000000000, -0.0001707300000000, -0.0000816400000000 ] - [ -0.0000099700000000, -0.0000074000000000, -0.0000150600000000 ] - [ 0.0001765400000000, -0.0003479700000000, 0.0000615200000000 ] - [ 0.0000266200000000, 0.0000961900000000, 0.0003221800000000 ] - [ -0.0002888000000000, 0.0005075100000000, -0.0006263000000000 ] - [ 0.0000389000000000, 0.0000093100000000, -0.0002543900000000 ] - [ -0.0000938400000000, 0.0018572400000000, 0.0000742900000000 ] - [ 0.0000598600000000, 0.0019191400000000, 0.0001601100000000 ] - [ -0.0000045000000000, 0.0019546100000000, -0.0002719400000000 ] - [ -0.0001255400000000, 0.0020203700000000, -0.0002320900000000 ] - [ 0.0001960000000000, -0.0015018300000000, 0.0000570200000000 ] - [ 0.0000608800000000, -0.0020039700000000, 0.0003099700000000 ] - [ -0.0002066900000000, -0.0021534400000000, -0.0003726000000000 ] - [ 0.0000324900000000, -0.0018614300000000, -0.0002114600000000 ] - [ 0.0256222300000000, 0.0077237800000000, -0.0621993200000000 ] - [ 0.0000381900000000, -0.0016015200000000, -0.0028335600000000 ] - [ 0.0001909400000000, -0.0019385300000000, -0.0015591600000000 ] - [ 0.0009918600000000, -0.0019193000000000, -0.0023180200000000 ] - [ -0.0000842000000000, -0.0008891800000000, 0.0058471100000000 ] - [ -0.0003082900000000, -0.0000406800000000, 0.0037253200000000 ] - [ -0.0012323100000000, 0.0041215800000000, 0.0066743000000000 ] - [ -0.0005987500000000, 0.0001262800000000, 0.0034235600000000 ] - [ -0.0016669300000000, 0.0021415800000000, 0.0050121400000000 ] - [ -0.0004194200000000, 0.0018793700000000, 0.0024533600000000 ] - [ -0.0024743800000000, -0.0040793500000000, 0.0109784900000000 ] - [ -0.0017866100000000, 0.0018234800000000, 0.0021244600000000 ] - [ 0.0000957000000000, -0.0014166300000000, 0.0045968100000000 ] - [ -0.0009427700000000, -0.0018414600000000, 0.0028012400000000 ] - [ -0.0064811300000000, -0.0031730100000000, 0.0064420500000000 ] - [ 0.0014350800000000, -0.0013531800000000, 0.0035565700000000 ] - [ -0.0007047000000000, 0.0003000700000000, -0.0044781700000000 ] - [ -0.0018429900000000, 0.0026287000000000, -0.0048846300000000 ] - [ 0.0007361500000000, 0.0021532600000000, -0.0019126600000000 ] - [ 0.0003975000000000, 0.0019592800000000, -0.0020257500000000 ] - [ -0.0007805800000000, 0.0017516700000000, -0.0056384700000000 ] - [ -0.0011249600000000, -0.0004611700000000, -0.0049410800000000 ] - [ 0.0004586600000000, -0.0002587200000000, -0.0030609300000000 ] - [ 0.0003971200000000, -0.0000242900000000, -0.0036205200000000 ] - [ 0.0005178000000000, -0.0015229700000000, -0.0028101800000000 ] - [ 0.0006456500000000, -0.0019662400000000, -0.0027690500000000 ] - [ 0.0007978000000000, -0.0020653500000000, -0.0023389500000000 ] - [ 0.0005475400000000, -0.0019011100000000, -0.0024245900000000 ] - [ -0.0001111700000000, 0.0002204700000000, 0.0037967200000000 ] - [ -0.0004120000000000, 0.0001408900000000, 0.0038523900000000 ] - [ -0.0006306300000000, -0.0004400700000000, 0.0037284800000000 ] - [ 0.0000106800000000, -0.0020076300000000, 0.0055706500000000 ] - [ -0.0004527800000000, 0.0017185000000000, 0.0025857200000000 ] - [ -0.0007164500000000, 0.0017876900000000, 0.0026959100000000 ] - [ -0.0010181400000000, 0.0022202800000000, 0.0024645100000000 ] - [ -0.0007069000000000, 0.0020054000000000, 0.0022414500000000 ] - [ -0.0008146300000000, -0.0020038400000000, 0.0027154500000000 ] - [ -0.0005306100000000, -0.0018274400000000, 0.0025099100000000 ] - [ -0.0002637600000000, -0.0017714200000000, 0.0021449200000000 ] - [ -0.0010011200000000, -0.0020633100000000, 0.0026166100000000 ] - [ 0.0012654900000000, 0.0011430800000000, -0.0036863400000000 ] - [ 0.0001757200000000, 0.0016022800000000, -0.0026790600000000 ] - [ 0.0003387000000000, 0.0017303500000000, -0.0021850600000000 ] - [ 0.0007500200000000, 0.0018949500000000, -0.0025796000000000 ] - [ -0.0000807700000000, 0.0015039900000000, -0.0057389100000000 ] - [ -0.0001399600000000, -0.0002972300000000, -0.0040892500000000 ] - [ 0.0001760800000000, 0.0001283700000000, -0.0030301900000000 ] - [ 0.0005257800000000, 0.0001812400000000, -0.0034413600000000 ] - [ -0.0202011000000000, -0.0040108600000000, 0.0188577000000000 ] - [ 0.0007693500000000, -0.0037862900000000, 0.0022982500000000 ] - [ 0.0000345700000000, -0.0036824900000000, -0.0022064000000000 ] - [ -0.0000749500000000, -0.0036326300000000, -0.0000917400000000 ] - [ 0.0050281400000000, -0.0088899600000000, 0.0158471800000000 ] - [ 0.0019715000000000, 0.0055294300000000, 0.0012933400000000 ] - [ 0.0014915100000000, 0.0034033400000000, -0.0012455100000000 ] - [ -0.0009839500000000, 0.0027605900000000, -0.0007839600000000 ] - [ 0.0007203100000000, -0.0034366800000000, 0.0017109900000000 ] - [ 0.0006458200000000, -0.0034689600000000, 0.0001838000000000 ] - [ 0.0001727800000000, -0.0036424100000000, -0.0002271700000000 ] - [ -0.0002683900000000, -0.0038487500000000, -0.0000168600000000 ] - [ -0.0002650300000000, 0.0017217300000000, 0.0018108200000000 ] - [ 0.0006731100000000, 0.0045775400000000, 0.0005796800000000 ] - [ -0.0003864400000000, 0.0050742800000000, -0.0008230300000000 ] - [ -0.0000757600000000, 0.0036971900000000, -0.0000595300000000 ]- atom: 33 displacement: [ 0.0032276650590697, 0.0000000000000000, -0.0094647862240233 ] forces: - [ -0.0018732300000000, -0.0038391000000000, -0.0036191300000000 ] - [ -0.0002691500000000, 0.0002483600000000, -0.0001240400000000 ] - [ -0.0001964200000000, -0.0000081000000000, 0.0001007500000000 ] - [ 0.0001161500000000, -0.0001621000000000, 0.0000293700000000 ] - [ 0.0003147200000000, 0.0002395800000000, -0.0008314400000000 ] - [ -0.0001392000000000, 0.0000055200000000, -0.0000741200000000 ] - [ -0.0001866600000000, 0.0001516600000000, 0.0006738400000000 ] - [ 0.0000827600000000, 0.0000808600000000, 0.0001811400000000 ] - [ 0.0013897300000000, 0.0021705700000000, -0.0014999200000000 ] - [ 0.0001818500000000, 0.0018903300000000, -0.0003814400000000 ] - [ 0.0002604200000000, 0.0020815700000000, 0.0006075200000000 ] - [ -0.0004424000000000, 0.0020201800000000, 0.0005564900000000 ] - [ -0.0009383900000000, -0.0041610200000000, -0.0025515600000000 ] - [ -0.0001561200000000, -0.0018974000000000, -0.0001081100000000 ] - [ -0.0004734800000000, -0.0020598600000000, 0.0008204400000000 ] - [ 0.0000530600000000, -0.0018852200000000, 0.0003417500000000 ] - [ 0.0000354700000000, -0.0003694800000000, -0.0003758600000000 ] - [ -0.0000279900000000, 0.0001779600000000, -0.0002179400000000 ] - [ 0.0000628400000000, 0.0001697400000000, 0.0000823200000000 ] - [ 0.0000101000000000, 0.0000070800000000, 0.0000147600000000 ] - [ -0.0001773900000000, 0.0003461300000000, -0.0000569500000000 ] - [ -0.0000267000000000, -0.0000960400000000, -0.0003208000000000 ] - [ 0.0002955200000000, -0.0005110100000000, 0.0006245600000000 ] - [ -0.0000402100000000, -0.0000094100000000, 0.0002525700000000 ] - [ 0.0000974500000000, 0.0019495700000000, -0.0000725100000000 ] - [ -0.0000586100000000, 0.0018852300000000, -0.0001606100000000 ] - [ 0.0000059400000000, 0.0018503600000000, 0.0002678300000000 ] - [ 0.0001249200000000, 0.0017809100000000, 0.0002242300000000 ] - [ -0.0001967100000000, -0.0022973000000000, -0.0000518200000000 ] - [ -0.0000630800000000, -0.0018000800000000, -0.0003066700000000 ] - [ 0.0002060000000000, -0.0016524400000000, 0.0003735900000000 ] - [ -0.0000353000000000, -0.0019441000000000, 0.0002121500000000 ] - [ -0.0252491800000000, -0.0115598200000000, 0.0575169500000000 ] - [ 0.0012412300000000, -0.0020906600000000, -0.0023971400000000 ] - [ 0.0010832300000000, -0.0017541000000000, -0.0036696100000000 ] - [ 0.0002865300000000, -0.0017715800000000, -0.0029077400000000 ] - [ -0.0005117200000000, 0.0008843100000000, 0.0017539300000000 ] - [ -0.0002895700000000, 0.0000395300000000, 0.0038639000000000 ] - [ 0.0006351200000000, -0.0041611500000000, 0.0008857200000000 ] - [ 0.0000041700000000, -0.0001259500000000, 0.0041646100000000 ] - [ 0.0003864000000000, 0.0015519900000000, 0.0002348300000000 ] - [ -0.0008561900000000, 0.0018115300000000, 0.0027746600000000 ] - [ 0.0012259800000000, 0.0078688700000000, -0.0058649700000000 ] - [ 0.0005142700000000, 0.0018654800000000, 0.0031040100000000 ] - [ -0.0013690400000000, -0.0022728300000000, 0.0006403400000000 ] - [ -0.0003360400000000, -0.0018508900000000, 0.0024276000000000 ] - [ 0.0052303800000000, -0.0005050400000000, -0.0012502800000000 ] - [ -0.0026888100000000, -0.0023394700000000, 0.0016892000000000 ] - [ 0.0019624000000000, 0.0033922900000000, -0.0007378200000000 ] - [ 0.0031148800000000, 0.0010626400000000, -0.0003629300000000 ] - [ 0.0005429600000000, 0.0015387900000000, -0.0033164600000000 ] - [ 0.0008754700000000, 0.0017308800000000, -0.0032004100000000 ] - [ 0.0013796500000000, -0.0017618400000000, -0.0019463400000000 ] - [ 0.0017215700000000, 0.0004603400000000, -0.0026551100000000 ] - [ 0.0001406500000000, 0.0002565100000000, -0.0045264700000000 ] - [ 0.0002009600000000, 0.0000231800000000, -0.0039668500000000 ] - [ 0.0007581800000000, -0.0021697300000000, -0.0024186800000000 ] - [ 0.0006361600000000, -0.0017267500000000, -0.0024627300000000 ] - [ 0.0004792800000000, -0.0016276600000000, -0.0028870800000000 ] - [ 0.0007270800000000, -0.0017886900000000, -0.0028029500000000 ] - [ -0.0004861100000000, -0.0002194500000000, 0.0037916800000000 ] - [ -0.0001878800000000, -0.0001393800000000, 0.0037344300000000 ] - [ 0.0000357100000000, 0.0004414200000000, 0.0038634200000000 ] - [ -0.0005904600000000, 0.0019653300000000, 0.0020315800000000 ] - [ -0.0008219700000000, 0.0019705200000000, 0.0026433900000000 ] - [ -0.0005616500000000, 0.0019031000000000, 0.0025329600000000 ] - [ -0.0002566300000000, 0.0014680400000000, 0.0027650600000000 ] - [ -0.0005625300000000, 0.0016755400000000, 0.0029877100000000 ] - [ -0.0004620600000000, -0.0016878800000000, 0.0025125200000000 ] - [ -0.0007447800000000, -0.0018631800000000, 0.0027181800000000 ] - [ -0.0010185900000000, -0.0019203600000000, 0.0030867600000000 ] - [ -0.0002726400000000, -0.0016277900000000, 0.0026119700000000 ] - [ 0.0000042400000000, 0.0025454300000000, -0.0015425400000000 ] - [ 0.0011036300000000, 0.0020886800000000, -0.0025507100000000 ] - [ 0.0009358300000000, 0.0019586100000000, -0.0030427400000000 ] - [ 0.0005273400000000, 0.0017958600000000, -0.0026492000000000 ] - [ 0.0006861100000000, -0.0015496000000000, -0.0018513900000000 ] - [ 0.0007374200000000, 0.0002969500000000, -0.0034990500000000 ] - [ 0.0004201200000000, -0.0001236700000000, -0.0045614800000000 ] - [ 0.0000740100000000, -0.0001802200000000, -0.0041441500000000 ] - [ 0.0213672100000000, -0.0035767800000000, -0.0194203200000000 ] - [ -0.0007885400000000, -0.0037191200000000, -0.0022784100000000 ] - [ -0.0000398000000000, -0.0038230300000000, 0.0022109600000000 ] - [ 0.0000738900000000, -0.0038691900000000, 0.0000906400000000 ] - [ -0.0052552800000000, 0.0166628300000000, -0.0158868200000000 ] - [ -0.0019716000000000, 0.0019672200000000, -0.0013065200000000 ] - [ -0.0014796400000000, 0.0041023900000000, 0.0012399500000000 ] - [ 0.0009781600000000, 0.0047419400000000, 0.0007808800000000 ] - [ -0.0007205400000000, -0.0040377900000000, -0.0017125800000000 ] - [ -0.0006514700000000, -0.0040356400000000, -0.0001844100000000 ] - [ -0.0001685000000000, -0.0038633400000000, 0.0002303700000000 ] - [ 0.0002655500000000, -0.0036566000000000, 0.0000182500000000 ] - [ 0.0002762800000000, 0.0057921200000000, -0.0018164300000000 ] - [ -0.0006846400000000, 0.0029308100000000, -0.0005769100000000 ] - [ 0.0003817300000000, 0.0024379800000000, 0.0008241900000000 ] - [ 0.0000761800000000, 0.0038051200000000, 0.0000562000000000 ]- atom: 37 displacement: [ 0.0099999981368522, 0.0000000000000000, 0.0000061043388591 ] forces: - [ 0.0001044700000000, 0.0000000000000000, -0.0001129700000000 ] - [ -0.0000626000000000, 0.0000000000000000, -0.0000322200000000 ] - [ 0.0065986200000000, 0.0000000000000000, -0.0039771200000000 ] - [ -0.0003951600000000, 0.0000000000000000, -0.0001008700000000 ] - [ 0.0092281400000000, 0.0000000000000000, -0.0075876300000000 ] - [ -0.0004423300000000, 0.0000000000000000, -0.0001556600000000 ] - [ 0.0004780500000000, 0.0000000000000000, -0.0000164000000000 ] - [ -0.0001037500000000, 0.0000000000000000, -0.0001265100000000 ] - [ 0.0011000700000000, 0.0008922400000000, 0.0012932700000000 ] - [ -0.0002657500000000, 0.0019369400000000, 0.0002158700000000 ] - [ -0.0000658500000000, 0.0018607000000000, 0.0000571100000000 ] - [ -0.0002305100000000, 0.0016905300000000, -0.0003451200000000 ] - [ 0.0002921800000000, -0.0019921900000000, 0.0002271900000000 ] - [ -0.0001565200000000, -0.0018331300000000, -0.0000709600000000 ] - [ 0.0003155000000000, -0.0018728100000000, 0.0000770000000000 ] - [ -0.0001678600000000, -0.0018170800000000, -0.0001886400000000 ] - [ 0.0000539000000000, 0.0000000000000000, 0.0000291100000000 ] - [ -0.0000554100000000, 0.0000000000000000, -0.0000372500000000 ] - [ 0.0004567000000000, 0.0000000000000000, 0.0001967900000000 ] - [ -0.0002763600000000, 0.0000000000000000, 0.0000326100000000 ] - [ 0.0000033500000000, 0.0000000000000000, -0.0000467300000000 ] - [ -0.0000936300000000, 0.0000000000000000, 0.0001243600000000 ] - [ -0.0000663100000000, 0.0000000000000000, 0.0000664000000000 ] - [ 0.0000575200000000, 0.0000000000000000, -0.0003667100000000 ] - [ 0.0002921800000000, 0.0019921900000000, 0.0002271900000000 ] - [ -0.0001565200000000, 0.0018331300000000, -0.0000709600000000 ] - [ 0.0003155000000000, 0.0018728100000000, 0.0000770000000000 ] - [ -0.0001678600000000, 0.0018170800000000, -0.0001886400000000 ] - [ 0.0011000700000000, -0.0008922400000000, 0.0012932700000000 ] - [ -0.0002657500000000, -0.0019369400000000, 0.0002158700000000 ] - [ -0.0000658500000000, -0.0018607000000000, 0.0000571100000000 ] - [ -0.0002305100000000, -0.0016905300000000, -0.0003451200000000 ] - [ 0.0002630800000000, -0.0017872500000000, -0.0025144400000000 ] - [ 0.0008118900000000, -0.0019576600000000, -0.0025649600000000 ] - [ 0.0001876700000000, -0.0034476600000000, -0.0037522500000000 ] - [ 0.0014350000000000, -0.0023367800000000, -0.0026607300000000 ] - [ -0.0455157700000000, 0.0000000000000000, -0.0081060200000000 ] - [ 0.0002128000000000, 0.0000000000000000, 0.0038520800000000 ] - [ -0.0004285500000000, 0.0000000000000000, 0.0037073900000000 ] - [ 0.0001287700000000, 0.0000000000000000, 0.0044553600000000 ] - [ -0.0016873900000000, 0.0012764700000000, 0.0018475400000000 ] - [ 0.0005807100000000, 0.0015956600000000, 0.0025662400000000 ] - [ -0.0006771400000000, 0.0018970500000000, 0.0024716500000000 ] - [ -0.0004482000000000, 0.0016814400000000, 0.0029164700000000 ] - [ 0.0034623200000000, 0.0016769100000000, 0.0028631400000000 ] - [ 0.0008791700000000, -0.0030006300000000, 0.0016325500000000 ] - [ -0.0007674600000000, -0.0016719800000000, 0.0027377000000000 ] - [ -0.0006710700000000, -0.0018904500000000, 0.0027065800000000 ] - [ 0.0006371500000000, 0.0018091300000000, -0.0027324500000000 ] - [ 0.0006441800000000, 0.0017439200000000, -0.0024147700000000 ] - [ 0.0025654600000000, 0.0029145000000000, -0.0016440200000000 ] - [ 0.0010195900000000, 0.0018610500000000, -0.0028358700000000 ] - [ 0.0002818100000000, 0.0000000000000000, -0.0041424500000000 ] - [ 0.0011854100000000, 0.0000000000000000, -0.0022630900000000 ] - [ 0.0017630000000000, 0.0000000000000000, 0.0023116000000000 ] - [ 0.0007400500000000, 0.0000000000000000, -0.0038510200000000 ] - [ 0.0006371500000000, -0.0018091300000000, -0.0027324500000000 ] - [ 0.0006441800000000, -0.0017439200000000, -0.0024147700000000 ] - [ 0.0025654600000000, -0.0029145000000000, -0.0016440200000000 ] - [ 0.0010195900000000, -0.0018610500000000, -0.0028358700000000 ] - [ -0.0004142700000000, 0.0000000000000000, 0.0034773900000000 ] - [ -0.0004118500000000, 0.0000000000000000, 0.0039579900000000 ] - [ -0.0002852600000000, 0.0000000000000000, 0.0038482400000000 ] - [ -0.0002853300000000, 0.0000000000000000, 0.0038497700000000 ] - [ 0.0034623200000000, -0.0016769100000000, 0.0028631400000000 ] - [ 0.0008791700000000, 0.0030006300000000, 0.0016325500000000 ] - [ -0.0007674600000000, 0.0016719800000000, 0.0027377000000000 ] - [ -0.0006710700000000, 0.0018904500000000, 0.0027065800000000 ] - [ -0.0016873900000000, -0.0012764700000000, 0.0018475400000000 ] - [ 0.0005807100000000, -0.0015956600000000, 0.0025662400000000 ] - [ -0.0006771400000000, -0.0018970500000000, 0.0024716500000000 ] - [ -0.0004482000000000, -0.0016814400000000, 0.0029164700000000 ] - [ 0.0002630800000000, 0.0017872500000000, -0.0025144400000000 ] - [ 0.0008118900000000, 0.0019576600000000, -0.0025649600000000 ] - [ 0.0001876700000000, 0.0034476600000000, -0.0037522500000000 ] - [ 0.0014350000000000, 0.0023367800000000, -0.0026607300000000 ] - [ 0.0002303900000000, 0.0000000000000000, -0.0038361900000000 ] - [ 0.0003609900000000, 0.0000000000000000, -0.0037836700000000 ] - [ 0.0003675300000000, 0.0000000000000000, -0.0040130900000000 ] - [ 0.0013660300000000, 0.0000000000000000, -0.0034672600000000 ] - [ 0.0005004700000000, -0.0039882600000000, 0.0001773200000000 ] - [ -0.0005750600000000, -0.0030621400000000, -0.0007370900000000 ] - [ 0.0079011700000000, 0.0048079300000000, 0.0086275400000000 ] - [ -0.0021723000000000, -0.0035290100000000, 0.0005493700000000 ] - [ 0.0000858300000000, 0.0038412700000000, -0.0000803900000000 ] - [ -0.0002380500000000, 0.0037689400000000, -0.0000883400000000 ] - [ -0.0000374600000000, 0.0044707600000000, 0.0000199600000000 ] - [ -0.0019113000000000, 0.0029462800000000, -0.0002995400000000 ] - [ 0.0000858300000000, -0.0038412700000000, -0.0000803900000000 ] - [ -0.0002380500000000, -0.0037689400000000, -0.0000883400000000 ] - [ -0.0000374600000000, -0.0044707600000000, 0.0000199600000000 ] - [ -0.0019113000000000, -0.0029462800000000, -0.0002995400000000 ] - [ 0.0005004700000000, 0.0039882600000000, 0.0001773200000000 ] - [ -0.0005750600000000, 0.0030621400000000, -0.0007370900000000 ] - [ 0.0079011700000000, -0.0048079300000000, 0.0086275400000000 ] - [ -0.0021723000000000, 0.0035290100000000, 0.0005493700000000 ]- atom: 37 displacement: [ -0.0099999981368522, 0.0000000000000000, -0.0000061043388591 ] forces: - [ -0.0001048800000000, 0.0000000000000000, 0.0001131300000000 ] - [ 0.0000631700000000, 0.0000000000000000, 0.0000319400000000 ] - [ -0.0068686300000000, 0.0000000000000000, 0.0041853900000000 ] - [ 0.0003982100000000, 0.0000000000000000, 0.0001012400000000 ] - [ -0.0090346200000000, 0.0000000000000000, 0.0073320900000000 ] - [ 0.0004452800000000, 0.0000000000000000, 0.0001570300000000 ] - [ -0.0004768600000000, 0.0000000000000000, 0.0000169100000000 ] - [ 0.0001045300000000, 0.0000000000000000, 0.0001262800000000 ] - [ -0.0011012300000000, 0.0029426500000000, -0.0013311300000000 ] - [ 0.0002669100000000, 0.0018601000000000, -0.0002160500000000 ] - [ 0.0000658100000000, 0.0019406700000000, -0.0000573900000000 ] - [ 0.0002316200000000, 0.0021089200000000, 0.0003473500000000 ] - [ -0.0002910400000000, -0.0018072300000000, -0.0002277600000000 ] - [ 0.0001567000000000, -0.0019670400000000, 0.0000719400000000 ] - [ -0.0003167000000000, -0.0019360500000000, -0.0000761800000000 ] - [ 0.0001685300000000, -0.0019877800000000, 0.0001887600000000 ] - [ -0.0000537000000000, 0.0000000000000000, -0.0000290500000000 ] - [ 0.0000558800000000, 0.0000000000000000, 0.0000371300000000 ] - [ -0.0004567000000000, 0.0000000000000000, -0.0001972400000000 ] - [ 0.0002773400000000, 0.0000000000000000, -0.0000330700000000 ] - [ -0.0000040000000000, 0.0000000000000000, 0.0000456700000000 ] - [ 0.0000941800000000, 0.0000000000000000, -0.0001240900000000 ] - [ 0.0000664300000000, 0.0000000000000000, -0.0000667700000000 ] - [ -0.0000550500000000, 0.0000000000000000, 0.0003710900000000 ] - [ -0.0002910400000000, 0.0018072300000000, -0.0002277600000000 ] - [ 0.0001567000000000, 0.0019670400000000, 0.0000719400000000 ] - [ -0.0003167000000000, 0.0019360500000000, -0.0000761800000000 ] - [ 0.0001685300000000, 0.0019877800000000, 0.0001887600000000 ] - [ -0.0011012300000000, -0.0029426500000000, -0.0013311300000000 ] - [ 0.0002669100000000, -0.0018601000000000, -0.0002160500000000 ] - [ 0.0000658100000000, -0.0019406700000000, -0.0000573900000000 ] - [ 0.0002316200000000, -0.0021089200000000, 0.0003473500000000 ] - [ 0.0010134200000000, -0.0019025100000000, -0.0027129200000000 ] - [ 0.0004635100000000, -0.0017324200000000, -0.0026638800000000 ] - [ 0.0010956800000000, -0.0002431700000000, -0.0014734600000000 ] - [ -0.0001625800000000, -0.0013526800000000, -0.0025679000000000 ] - [ 0.0450601600000000, 0.0000000000000000, 0.0156079600000000 ] - [ -0.0008112600000000, 0.0000000000000000, 0.0037346600000000 ] - [ -0.0001695300000000, 0.0000000000000000, 0.0038797400000000 ] - [ -0.0007278100000000, 0.0000000000000000, 0.0031300500000000 ] - [ 0.0004206300000000, 0.0024019600000000, 0.0033797200000000 ] - [ -0.0018594400000000, 0.0020974200000000, 0.0026620800000000 ] - [ -0.0005979600000000, 0.0017934500000000, 0.0027562000000000 ] - [ -0.0008286400000000, 0.0020104700000000, 0.0023095700000000 ] - [ -0.0046987600000000, -0.0053298400000000, 0.0023651000000000 ] - [ -0.0021660200000000, -0.0006767400000000, 0.0036035700000000 ] - [ -0.0005075400000000, -0.0020173500000000, 0.0024898800000000 ] - [ -0.0006041500000000, -0.0017992400000000, 0.0025223700000000 ] - [ 0.0006390200000000, 0.0018822200000000, -0.0024951400000000 ] - [ 0.0006327200000000, 0.0019466800000000, -0.0028147300000000 ] - [ -0.0013026400000000, 0.0007522800000000, -0.0036005100000000 ] - [ 0.0002573700000000, 0.0018303000000000, -0.0023915500000000 ] - [ 0.0003164900000000, 0.0000000000000000, -0.0034446700000000 ] - [ -0.0005903000000000, 0.0000000000000000, -0.0053309700000000 ] - [ -0.0011734100000000, 0.0000000000000000, -0.0098634200000000 ] - [ -0.0001419400000000, 0.0000000000000000, -0.0037351300000000 ] - [ 0.0006390200000000, -0.0018822200000000, -0.0024951400000000 ] - [ 0.0006327200000000, -0.0019466800000000, -0.0028147300000000 ] - [ -0.0013026400000000, -0.0007522800000000, -0.0036005100000000 ] - [ 0.0002573700000000, -0.0018303000000000, -0.0023915500000000 ] - [ -0.0001867600000000, 0.0000000000000000, 0.0041102800000000 ] - [ -0.0001840200000000, 0.0000000000000000, 0.0036292200000000 ] - [ -0.0003122400000000, 0.0000000000000000, 0.0037368900000000 ] - [ -0.0003122700000000, 0.0000000000000000, 0.0037373900000000 ] - [ -0.0046987600000000, 0.0053298400000000, 0.0023651000000000 ] - [ -0.0021660200000000, 0.0006767400000000, 0.0036035700000000 ] - [ -0.0005075400000000, 0.0020173500000000, 0.0024898800000000 ] - [ -0.0006041500000000, 0.0017992400000000, 0.0025223700000000 ] - [ 0.0004206300000000, -0.0024019600000000, 0.0033797200000000 ] - [ -0.0018594400000000, -0.0020974200000000, 0.0026620800000000 ] - [ -0.0005979600000000, -0.0017934500000000, 0.0027562000000000 ] - [ -0.0008286400000000, -0.0020104700000000, 0.0023095700000000 ] - [ 0.0010134200000000, 0.0019025100000000, -0.0027129200000000 ] - [ 0.0004635100000000, 0.0017324200000000, -0.0026638800000000 ] - [ 0.0010956800000000, 0.0002431700000000, -0.0014734600000000 ] - [ -0.0001625800000000, 0.0013526800000000, -0.0025679000000000 ] - [ 0.0003687300000000, 0.0000000000000000, -0.0037502200000000 ] - [ 0.0002364600000000, 0.0000000000000000, -0.0038043000000000 ] - [ 0.0002333200000000, 0.0000000000000000, -0.0035749300000000 ] - [ -0.0007704100000000, 0.0000000000000000, -0.0041167400000000 ] - [ -0.0004985700000000, -0.0035182700000000, -0.0001780500000000 ] - [ 0.0005768600000000, -0.0044471500000000, 0.0007380300000000 ] - [ -0.0079799800000000, -0.0121744700000000, -0.0085225400000000 ] - [ 0.0021810700000000, -0.0039754300000000, -0.0005546300000000 ] - [ -0.0000880300000000, 0.0036620500000000, 0.0000795300000000 ] - [ 0.0002395300000000, 0.0037336900000000, 0.0000900800000000 ] - [ 0.0000242800000000, 0.0030349300000000, -0.0000213000000000 ] - [ 0.0019267500000000, 0.0045590200000000, 0.0002942200000000 ] - [ -0.0000880300000000, -0.0036620500000000, 0.0000795300000000 ] - [ 0.0002395300000000, -0.0037336900000000, 0.0000900800000000 ] - [ 0.0000242800000000, -0.0030349300000000, -0.0000213000000000 ] - [ 0.0019267500000000, -0.0045590200000000, 0.0002942200000000 ] - [ -0.0004985700000000, 0.0035182700000000, -0.0001780500000000 ] - [ 0.0005768600000000, 0.0044471500000000, 0.0007380300000000 ] - [ -0.0079799800000000, 0.0121744700000000, -0.0085225400000000 ] - [ 0.0021810700000000, 0.0039754300000000, -0.0005546300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000500000000, 0.0001809600000000, -0.0000015200000000 ] - [ 0.0000000700000000, 0.0001257500000000, -0.0000001200000000 ] - [ 0.0000037300000000, 0.0011393700000000, 0.0000015700000000 ] - [ 0.0000013100000000, 0.0007244100000000, -0.0000003200000000 ] - [ -0.0000058700000000, 0.0006600500000000, 0.0000089400000000 ] - [ -0.0000019300000000, 0.0002608500000000, 0.0000002300000000 ] - [ -0.0000008000000000, 0.0006160800000000, -0.0000004300000000 ] - [ 0.0000001800000000, 0.0001838900000000, -0.0000008900000000 ] - [ -0.0019498000000000, 0.0054991000000000, -0.0027292700000000 ] - [ -0.0003146600000000, 0.0020646500000000, 0.0003005200000000 ] - [ 0.0003469500000000, 0.0020957000000000, -0.0002716500000000 ] - [ -0.0000857400000000, 0.0023382000000000, -0.0002494900000000 ] - [ -0.0002436400000000, -0.0023389900000000, 0.0004338800000000 ] - [ -0.0000097300000000, -0.0020539800000000, 0.0001185100000000 ] - [ 0.0000820900000000, -0.0023452700000000, -0.0004957100000000 ] - [ 0.0000246200000000, -0.0020323800000000, -0.0000387400000000 ] - [ 0.0000002300000000, -0.0001404900000000, -0.0000000700000000 ] - [ -0.0000001000000000, -0.0001460700000000, -0.0000001600000000 ] - [ -0.0000024200000000, -0.0015177500000000, -0.0000009600000000 ] - [ 0.0000002500000000, -0.0002841200000000, -0.0000001500000000 ] - [ 0.0000014500000000, -0.0008329000000000, 0.0000041400000000 ] - [ 0.0000000700000000, -0.0002120700000000, 0.0000010900000000 ] - [ 0.0000006900000000, -0.0002145400000000, -0.0000015900000000 ] - [ -0.0000007700000000, -0.0010832100000000, -0.0000022700000000 ] - [ 0.0002428100000000, 0.0014638800000000, -0.0004302300000000 ] - [ 0.0000095900000000, 0.0017546700000000, -0.0001171100000000 ] - [ -0.0000818400000000, 0.0014563400000000, 0.0004924800000000 ] - [ -0.0000242700000000, 0.0017722700000000, 0.0000365700000000 ] - [ 0.0018673500000000, 0.0016083800000000, 0.0026137400000000 ] - [ 0.0003144700000000, -0.0017383600000000, -0.0002984900000000 ] - [ -0.0003458400000000, -0.0017125900000000, 0.0002690400000000 ] - [ 0.0000854100000000, -0.0014721300000000, 0.0002479600000000 ] - [ 0.0008573200000000, -0.0015001300000000, -0.0034708300000000 ] - [ 0.0006575200000000, -0.0018900500000000, -0.0026509600000000 ] - [ -0.0023588900000000, 0.0008140000000000, 0.0007529700000000 ] - [ 0.0009860000000000, -0.0020210500000000, -0.0023623900000000 ] - [ -0.0006381000000000, -0.0661626700000000, 0.0032189300000000 ] - [ -0.0002990700000000, -0.0006307400000000, 0.0037951000000000 ] - [ -0.0002992800000000, -0.0004172300000000, 0.0037966100000000 ] - [ -0.0002989100000000, -0.0002537100000000, 0.0037968800000000 ] - [ -0.0032510500000000, 0.0099915400000000, 0.0033429000000000 ] - [ 0.0001464900000000, 0.0021447400000000, 0.0025662600000000 ] - [ -0.0007528200000000, 0.0020937700000000, 0.0027113300000000 ] - [ -0.0005964700000000, 0.0018136900000000, 0.0028200100000000 ] - [ 0.0050042200000000, 0.0009519400000000, 0.0026738400000000 ] - [ -0.0013406300000000, -0.0017943900000000, 0.0028564600000000 ] - [ -0.0005375600000000, -0.0018261400000000, 0.0029221200000000 ] - [ -0.0006860200000000, -0.0018961800000000, 0.0026244400000000 ] - [ 0.0007224400000000, 0.0018983200000000, -0.0027341100000000 ] - [ 0.0005025700000000, 0.0018640100000000, -0.0028945400000000 ] - [ 0.0054812800000000, 0.0076683600000000, 0.0011351500000000 ] - [ 0.0001793500000000, 0.0021018900000000, -0.0023048700000000 ] - [ 0.0002978600000000, -0.0004498300000000, -0.0037951800000000 ] - [ 0.0003038200000000, -0.0004923400000000, -0.0037892200000000 ] - [ 0.0002956300000000, -0.0042431100000000, -0.0038022200000000 ] - [ 0.0002997700000000, -0.0007668600000000, -0.0037960800000000 ] - [ 0.0005528500000000, -0.0017917800000000, -0.0024961100000000 ] - [ 0.0007735100000000, -0.0018241300000000, -0.0023373700000000 ] - [ -0.0041888600000000, 0.0039287100000000, -0.0063599600000000 ] - [ 0.0010924000000000, -0.0015865400000000, -0.0029246600000000 ] - [ -0.0002975700000000, 0.0016424100000000, 0.0037951900000000 ] - [ -0.0003021400000000, 0.0016427200000000, 0.0037942100000000 ] - [ -0.0002987300000000, 0.0003917600000000, 0.0037966600000000 ] - [ -0.0002991000000000, 0.0003917600000000, 0.0037966400000000 ] - [ -0.0062530300000000, 0.0046480600000000, 0.0025467100000000 ] - [ 0.0000727900000000, 0.0019122300000000, 0.0023648600000000 ] - [ -0.0007379700000000, 0.0018666800000000, 0.0023091600000000 ] - [ -0.0005894800000000, 0.0017951500000000, 0.0026069800000000 ] - [ 0.0019390900000000, 0.0061824500000000, 0.0018870100000000 ] - [ -0.0014162200000000, -0.0015448500000000, 0.0026609800000000 ] - [ -0.0005245600000000, -0.0015963000000000, 0.0025225800000000 ] - [ -0.0006786200000000, -0.0018759400000000, 0.0024104900000000 ] - [ 0.0004149400000000, 0.0022001300000000, -0.0017482700000000 ] - [ 0.0006196300000000, 0.0018025000000000, -0.0025787100000000 ] - [ 0.0036153400000000, 0.0045093000000000, -0.0059603800000000 ] - [ 0.0002908000000000, 0.0016717900000000, -0.0028667200000000 ] - [ 0.0002992200000000, 0.0004320600000000, -0.0037968000000000 ] - [ 0.0002992300000000, 0.0002747500000000, -0.0037959900000000 ] - [ 0.0002961300000000, 0.0029488600000000, -0.0037916000000000 ] - [ 0.0003011700000000, 0.0031395600000000, -0.0037952100000000 ] - [ -0.0003369800000000, -0.0032276900000000, 0.0000791200000000 ] - [ 0.0000433900000000, -0.0032145100000000, 0.0000648100000000 ] - [ 0.0029296700000000, 0.0099811800000000, 0.0067338400000000 ] - [ 0.0002914200000000, -0.0025890100000000, -0.0003428100000000 ] - [ 0.0003715300000000, 0.0029652100000000, 0.0003182600000000 ] - [ -0.0001078100000000, 0.0032566300000000, -0.0001370600000000 ] - [ 0.0037679600000000, 0.0008308200000000, -0.0008870800000000 ] - [ -0.0039318400000000, 0.0003299000000000, 0.0001089600000000 ] - [ -0.0003762600000000, -0.0045429000000000, -0.0003220300000000 ] - [ 0.0001070800000000, -0.0042479400000000, 0.0001368200000000 ] - [ -0.0037377700000000, -0.0066958500000000, 0.0008797600000000 ] - [ 0.0039227300000000, -0.0071795600000000, -0.0001000900000000 ] - [ 0.0003474600000000, 0.0042753700000000, -0.0000856400000000 ] - [ -0.0000467400000000, 0.0042812100000000, -0.0000700200000000 ] - [ -0.0025149500000000, 0.0168882500000000, -0.0060666300000000 ] - [ -0.0002990900000000, 0.0049099900000000, 0.0003480200000000 ]- atom: 37 displacement: [ -0.0032276650590697, 0.0000000000000000, 0.0094647862240233 ] forces: - [ -0.0000217700000000, 0.0000000000000000, -0.0003606800000000 ] - [ 0.0000269800000000, 0.0000000000000000, -0.0000689600000000 ] - [ -0.0077635900000000, 0.0000000000000000, 0.0056475900000000 ] - [ -0.0001874000000000, 0.0000000000000000, 0.0004216600000000 ] - [ -0.0076324700000000, 0.0000000000000000, 0.0071952700000000 ] - [ -0.0001846700000000, 0.0000000000000000, 0.0001786600000000 ] - [ 0.0001935200000000, 0.0000000000000000, -0.0005854900000000 ] - [ -0.0000437200000000, 0.0000000000000000, -0.0001861600000000 ] - [ 0.0006801300000000, 0.0010037300000000, 0.0016932400000000 ] - [ 0.0000816700000000, 0.0019231400000000, 0.0000990900000000 ] - [ 0.0002430400000000, 0.0019125100000000, -0.0003653200000000 ] - [ -0.0002634500000000, 0.0015865800000000, -0.0005535700000000 ] - [ 0.0000593800000000, -0.0016631300000000, 0.0001785300000000 ] - [ 0.0000007300000000, -0.0018541100000000, 0.0001594600000000 ] - [ -0.0000054300000000, -0.0020663700000000, -0.0005006200000000 ] - [ -0.0000253700000000, -0.0019325500000000, -0.0001627700000000 ] - [ 0.0000751900000000, 0.0000000000000000, -0.0000088800000000 ] - [ -0.0000784300000000, 0.0000000000000000, -0.0000196300000000 ] - [ 0.0001636600000000, 0.0000000000000000, 0.0002458000000000 ] - [ 0.0000609100000000, 0.0000000000000000, 0.0000109000000000 ] - [ -0.0000007800000000, 0.0000000000000000, 0.0002695100000000 ] - [ 0.0000124300000000, 0.0000000000000000, 0.0001163000000000 ] - [ 0.0000598700000000, 0.0000000000000000, -0.0002698200000000 ] - [ -0.0002513000000000, 0.0000000000000000, -0.0004476700000000 ] - [ 0.0000593800000000, 0.0016631300000000, 0.0001785300000000 ] - [ 0.0000007300000000, 0.0018541100000000, 0.0001594600000000 ] - [ -0.0000054300000000, 0.0020663700000000, -0.0005006200000000 ] - [ -0.0000253700000000, 0.0019325500000000, -0.0001627700000000 ] - [ 0.0006801300000000, -0.0010037300000000, 0.0016932400000000 ] - [ 0.0000816700000000, -0.0019231400000000, 0.0000990900000000 ] - [ 0.0002430400000000, -0.0019125100000000, -0.0003653200000000 ] - [ -0.0002634500000000, -0.0015865800000000, -0.0005535700000000 ] - [ 0.0000356200000000, -0.0031433500000000, -0.0008515600000000 ] - [ 0.0007913200000000, -0.0019448400000000, -0.0026266400000000 ] - [ -0.0016348000000000, 0.0014692800000000, -0.0001589800000000 ] - [ 0.0008188300000000, -0.0016878400000000, -0.0028204300000000 ] - [ 0.0029437400000000, 0.0000000000000000, -0.0493069200000000 ] - [ -0.0004092400000000, 0.0000000000000000, 0.0036580100000000 ] - [ -0.0003392300000000, 0.0000000000000000, 0.0041832700000000 ] - [ 0.0001890200000000, 0.0000000000000000, 0.0045360300000000 ] - [ -0.0004729200000000, 0.0017747500000000, 0.0008581700000000 ] - [ -0.0007693400000000, 0.0017782100000000, 0.0024243900000000 ] - [ -0.0008886100000000, 0.0016004500000000, 0.0033332800000000 ] - [ -0.0004098700000000, 0.0017071800000000, 0.0029649700000000 ] - [ -0.0022146800000000, -0.0039404700000000, 0.0006053100000000 ] - [ -0.0005248900000000, -0.0022130100000000, 0.0019953900000000 ] - [ -0.0010079300000000, -0.0019076700000000, 0.0031641600000000 ] - [ -0.0005162300000000, -0.0017774400000000, 0.0027946100000000 ] - [ 0.0004324800000000, 0.0017264600000000, -0.0025858100000000 ] - [ 0.0008902400000000, 0.0017149800000000, -0.0025886100000000 ] - [ 0.0025646900000000, 0.0037257700000000, -0.0002837900000000 ] - [ 0.0003411200000000, 0.0018069400000000, -0.0026687200000000 ] - [ -0.0000242900000000, 0.0000000000000000, -0.0034760000000000 ] - [ 0.0014618300000000, 0.0000000000000000, -0.0023863700000000 ] - [ 0.0056144600000000, 0.0000000000000000, 0.0019708600000000 ] - [ 0.0001025300000000, 0.0000000000000000, -0.0038448700000000 ] - [ 0.0004324800000000, -0.0017264600000000, -0.0025858100000000 ] - [ 0.0008902400000000, -0.0017149800000000, -0.0025886100000000 ] - [ 0.0025646900000000, -0.0037257700000000, -0.0002837900000000 ] - [ 0.0003411200000000, -0.0018069400000000, -0.0026687200000000 ] - [ -0.0001074900000000, 0.0000000000000000, 0.0036414300000000 ] - [ -0.0005621000000000, 0.0000000000000000, 0.0034854600000000 ] - [ -0.0002504800000000, 0.0000000000000000, 0.0041226600000000 ] - [ -0.0002513700000000, 0.0000000000000000, 0.0041218000000000 ] - [ -0.0022146800000000, 0.0039404700000000, 0.0006053100000000 ] - [ -0.0005248900000000, 0.0022130100000000, 0.0019953900000000 ] - [ -0.0010079300000000, 0.0019076700000000, 0.0031641600000000 ] - [ -0.0005162300000000, 0.0017774400000000, 0.0027946100000000 ] - [ -0.0004729200000000, -0.0017747500000000, 0.0008581700000000 ] - [ -0.0007693400000000, -0.0017782100000000, 0.0024243900000000 ] - [ -0.0008886100000000, -0.0016004500000000, 0.0033332800000000 ] - [ -0.0004098700000000, -0.0017071800000000, 0.0029649700000000 ] - [ 0.0000356200000000, 0.0031433500000000, -0.0008515600000000 ] - [ 0.0007913200000000, 0.0019448400000000, -0.0026266400000000 ] - [ -0.0016348000000000, -0.0014692800000000, -0.0001589800000000 ] - [ 0.0008188300000000, 0.0016878400000000, -0.0028204300000000 ] - [ 0.0002816000000000, 0.0000000000000000, -0.0039377700000000 ] - [ 0.0002889800000000, 0.0000000000000000, -0.0037618300000000 ] - [ 0.0000715200000000, 0.0000000000000000, -0.0042476500000000 ] - [ 0.0002579700000000, 0.0000000000000000, -0.0042523300000000 ] - [ 0.0013487600000000, -0.0036280500000000, -0.0009903400000000 ] - [ -0.0006959900000000, -0.0031496600000000, -0.0006798300000000 ] - [ 0.0046660900000000, 0.0057752800000000, 0.0112746000000000 ] - [ 0.0000493000000000, -0.0038058000000000, 0.0003396500000000 ] - [ -0.0006347000000000, 0.0044906000000000, -0.0006445300000000 ] - [ -0.0000263000000000, 0.0039184200000000, -0.0002413600000000 ] - [ 0.0008942400000000, 0.0028724000000000, 0.0020450600000000 ] - [ -0.0006551100000000, 0.0045319200000000, 0.0014708500000000 ] - [ -0.0006347000000000, -0.0044906000000000, -0.0006445300000000 ] - [ -0.0000263000000000, -0.0039184200000000, -0.0002413600000000 ] - [ 0.0008942400000000, -0.0028724000000000, 0.0020450600000000 ] - [ -0.0006551100000000, -0.0045319200000000, 0.0014708500000000 ] - [ 0.0013487600000000, 0.0036280500000000, -0.0009903400000000 ] - [ -0.0006959900000000, 0.0031496600000000, -0.0006798300000000 ] - [ 0.0046660900000000, -0.0057752800000000, 0.0112746000000000 ] - [ 0.0000493000000000, 0.0038058000000000, 0.0003396500000000 ]- atom: 37 displacement: [ 0.0032276650590697, 0.0000000000000000, -0.0094647862240233 ] forces: - [ 0.0000219600000000, 0.0000000000000000, 0.0003630700000000 ] - [ -0.0000269000000000, 0.0000000000000000, 0.0000688400000000 ] - [ 0.0075064600000000, 0.0000000000000000, -0.0055464000000000 ] - [ 0.0001878300000000, 0.0000000000000000, -0.0004192300000000 ] - [ 0.0080007500000000, 0.0000000000000000, -0.0074622700000000 ] - [ 0.0001859900000000, 0.0000000000000000, -0.0001798700000000 ] - [ -0.0001928800000000, 0.0000000000000000, 0.0005887100000000 ] - [ 0.0000436000000000, 0.0000000000000000, 0.0001878200000000 ] - [ -0.0007194300000000, 0.0028365600000000, -0.0017110600000000 ] - [ -0.0000806600000000, 0.0018771400000000, -0.0001011200000000 ] - [ -0.0002432700000000, 0.0018912600000000, 0.0003668300000000 ] - [ 0.0002645500000000, 0.0022161400000000, 0.0005551900000000 ] - [ -0.0000601300000000, -0.0021438900000000, -0.0001809900000000 ] - [ -0.0000000800000000, -0.0019463200000000, -0.0001608500000000 ] - [ 0.0000041400000000, -0.0017420100000000, 0.0005026700000000 ] - [ 0.0000264200000000, -0.0018766900000000, 0.0001649000000000 ] - [ -0.0000753800000000, 0.0000000000000000, 0.0000086900000000 ] - [ 0.0000789500000000, 0.0000000000000000, 0.0000195900000000 ] - [ -0.0001646800000000, 0.0000000000000000, -0.0002452800000000 ] - [ -0.0000595300000000, 0.0000000000000000, -0.0000113300000000 ] - [ 0.0000002100000000, 0.0000000000000000, -0.0002716000000000 ] - [ -0.0000118800000000, 0.0000000000000000, -0.0001178400000000 ] - [ -0.0000590400000000, 0.0000000000000000, 0.0002712400000000 ] - [ 0.0002516400000000, 0.0000000000000000, 0.0004529700000000 ] - [ -0.0000601300000000, 0.0021438900000000, -0.0001809900000000 ] - [ -0.0000000800000000, 0.0019463200000000, -0.0001608500000000 ] - [ 0.0000041400000000, 0.0017420100000000, 0.0005026700000000 ] - [ 0.0000264200000000, 0.0018766900000000, 0.0001649000000000 ] - [ -0.0007194300000000, -0.0028365600000000, -0.0017110600000000 ] - [ -0.0000806600000000, -0.0018771400000000, -0.0001011200000000 ] - [ -0.0002432700000000, -0.0018912600000000, 0.0003668300000000 ] - [ 0.0002645500000000, -0.0022161400000000, 0.0005551900000000 ] - [ 0.0012424500000000, -0.0005408600000000, -0.0043870000000000 ] - [ 0.0004821200000000, -0.0017486500000000, -0.0025992600000000 ] - [ 0.0028903100000000, -0.0051354900000000, -0.0050402500000000 ] - [ 0.0004552200000000, -0.0020028100000000, -0.0024082300000000 ] - [ -0.0039093200000000, 0.0000000000000000, 0.0569856000000000 ] - [ -0.0001922000000000, 0.0000000000000000, 0.0039311400000000 ] - [ -0.0002612000000000, 0.0000000000000000, 0.0034031200000000 ] - [ -0.0007898100000000, 0.0000000000000000, 0.0030520800000000 ] - [ -0.0007976300000000, 0.0019073100000000, 0.0043720500000000 ] - [ -0.0005090600000000, 0.0019162800000000, 0.0028023100000000 ] - [ -0.0003842300000000, 0.0020951000000000, 0.0018890100000000 ] - [ -0.0008654600000000, 0.0019881900000000, 0.0022597200000000 ] - [ 0.0009292200000000, 0.0002422200000000, 0.0046314300000000 ] - [ -0.0007504500000000, -0.0014814400000000, 0.0032320900000000 ] - [ -0.0002644700000000, -0.0017858500000000, 0.0020592900000000 ] - [ -0.0007585100000000, -0.0019167300000000, 0.0024312500000000 ] - [ 0.0008432700000000, 0.0019687000000000, -0.0026391300000000 ] - [ 0.0003833300000000, 0.0019789800000000, -0.0026378100000000 ] - [ -0.0013113000000000, -0.0000535100000000, -0.0049386500000000 ] - [ 0.0009330800000000, 0.0018864500000000, -0.0025580800000000 ] - [ 0.0006272000000000, 0.0000000000000000, -0.0041132300000000 ] - [ -0.0008653800000000, 0.0000000000000000, -0.0052077300000000 ] - [ -0.0049523000000000, 0.0000000000000000, -0.0095255600000000 ] - [ 0.0004988000000000, 0.0000000000000000, -0.0037440700000000 ] - [ 0.0008432700000000, -0.0019687000000000, -0.0026391300000000 ] - [ 0.0003833300000000, -0.0019789800000000, -0.0026378100000000 ] - [ -0.0013113000000000, 0.0000535100000000, -0.0049386500000000 ] - [ 0.0009330800000000, -0.0018864500000000, -0.0025580800000000 ] - [ -0.0004941900000000, 0.0000000000000000, 0.0039484900000000 ] - [ -0.0000388400000000, 0.0000000000000000, 0.0041030800000000 ] - [ -0.0003500100000000, 0.0000000000000000, 0.0034641300000000 ] - [ -0.0003493300000000, 0.0000000000000000, 0.0034640800000000 ] - [ 0.0009292200000000, -0.0002422200000000, 0.0046314300000000 ] - [ -0.0007504500000000, 0.0014814400000000, 0.0032320900000000 ] - [ -0.0002644700000000, 0.0017858500000000, 0.0020592900000000 ] - [ -0.0007585100000000, 0.0019167300000000, 0.0024312500000000 ] - [ -0.0007976300000000, -0.0019073100000000, 0.0043720500000000 ] - [ -0.0005090600000000, -0.0019162800000000, 0.0028023100000000 ] - [ -0.0003842300000000, -0.0020951000000000, 0.0018890100000000 ] - [ -0.0008654600000000, -0.0019881900000000, 0.0022597200000000 ] - [ 0.0012424500000000, 0.0005408600000000, -0.0043870000000000 ] - [ 0.0004821200000000, 0.0017486500000000, -0.0025992600000000 ] - [ 0.0028903100000000, 0.0051354900000000, -0.0050402500000000 ] - [ 0.0004552200000000, 0.0020028100000000, -0.0024082300000000 ] - [ 0.0003201300000000, 0.0000000000000000, -0.0036485700000000 ] - [ 0.0003113900000000, 0.0000000000000000, -0.0038264200000000 ] - [ 0.0005308300000000, 0.0000000000000000, -0.0033429700000000 ] - [ 0.0003340200000000, 0.0000000000000000, -0.0033338400000000 ] - [ -0.0013552900000000, -0.0038767900000000, 0.0009955900000000 ] - [ 0.0006977400000000, -0.0043594000000000, 0.0006803700000000 ] - [ -0.0044993700000000, -0.0130391100000000, -0.0112731500000000 ] - [ -0.0000468400000000, -0.0036982800000000, -0.0003404500000000 ] - [ 0.0006382100000000, 0.0030065000000000, 0.0006474500000000 ] - [ 0.0000271700000000, 0.0035832400000000, 0.0002421900000000 ] - [ -0.0008956700000000, 0.0046328600000000, -0.0020405800000000 ] - [ 0.0006711900000000, 0.0029755400000000, -0.0014739500000000 ] - [ 0.0006382100000000, -0.0030065000000000, 0.0006474500000000 ] - [ 0.0000271700000000, -0.0035832400000000, 0.0002421900000000 ] - [ -0.0008956700000000, -0.0046328600000000, -0.0020405800000000 ] - [ 0.0006711900000000, -0.0029755400000000, -0.0014739500000000 ] - [ -0.0013552900000000, 0.0038767900000000, 0.0009955900000000 ] - [ 0.0006977400000000, 0.0043594000000000, 0.0006803700000000 ] - [ -0.0044993700000000, 0.0130391100000000, -0.0112731500000000 ] - [ -0.0000468400000000, 0.0036982800000000, -0.0003404500000000 ]- atom: 81 displacement: [ 0.0099999981368522, 0.0000000000000000, 0.0000061043388591 ] forces: - [ 0.0028366000000000, 0.0029715200000000, 0.0009115800000000 ] - [ 0.0028607700000000, -0.0030048200000000, 0.0009244000000000 ] - [ 0.0000776100000000, -0.0000564700000000, 0.0000534500000000 ] - [ 0.0000780000000000, 0.0000557100000000, 0.0000526600000000 ] - [ -0.0026049700000000, 0.0022865900000000, -0.0012074800000000 ] - [ 0.0004336700000000, -0.0002408400000000, 0.0003498900000000 ] - [ -0.0026183100000000, -0.0023024100000000, -0.0012153900000000 ] - [ 0.0004346000000000, 0.0002408000000000, 0.0003487000000000 ] - [ 0.0023135300000000, 0.0022120300000000, -0.0017419200000000 ] - [ 0.0009806700000000, 0.0011866600000000, 0.0022777200000000 ] - [ 0.0009814400000000, 0.0026084100000000, 0.0022727000000000 ] - [ 0.0023165700000000, 0.0015942000000000, -0.0017472400000000 ] - [ -0.0035002700000000, -0.0038517900000000, -0.0012065600000000 ] - [ 0.0008866700000000, -0.0018324000000000, 0.0002116300000000 ] - [ -0.0035055000000000, 0.0000559000000000, -0.0012219200000000 ] - [ 0.0008863200000000, -0.0019817700000000, 0.0002074900000000 ] - [ -0.0030009500000000, -0.0000000700000000, -0.0019927100000000 ] - [ 0.0010705300000000, 0.0000013600000000, 0.0000538900000000 ] - [ -0.0003840600000000, 0.0000003900000000, -0.0001184300000000 ] - [ 0.0002227300000000, 0.0000002300000000, 0.0001201900000000 ] - [ 0.0003708100000000, -0.0003055500000000, -0.0004360200000000 ] - [ 0.0005983500000000, 0.0011988200000000, 0.0012037000000000 ] - [ 0.0006051000000000, -0.0011956800000000, 0.0012004900000000 ] - [ 0.0003697500000000, 0.0003069300000000, -0.0004382900000000 ] - [ -0.0006973500000000, 0.0017313900000000, -0.0003796800000000 ] - [ 0.0004693000000000, 0.0021473300000000, 0.0004636000000000 ] - [ -0.0006976000000000, 0.0020828800000000, -0.0003791300000000 ] - [ 0.0004686400000000, 0.0016680600000000, 0.0004585600000000 ] - [ 0.0001647900000000, -0.0017683800000000, -0.0001386200000000 ] - [ 0.0006189100000000, -0.0025554900000000, 0.0008410300000000 ] - [ 0.0006211100000000, -0.0012441600000000, 0.0008442700000000 ] - [ 0.0001626000000000, -0.0020441200000000, -0.0001390900000000 ] - [ 0.0175592400000000, 0.0015904900000000, -0.0182544500000000 ] - [ -0.0046542000000000, -0.0006259600000000, -0.0036035800000000 ] - [ 0.0015039300000000, -0.0020978900000000, -0.0022793400000000 ] - [ 0.0002910800000000, -0.0016356600000000, -0.0028123200000000 ] - [ 0.0002002900000000, -0.0003390600000000, 0.0053901500000000 ] - [ -0.0008743200000000, 0.0000447400000000, 0.0028617900000000 ] - [ 0.0076349600000000, 0.0026978700000000, 0.0113380800000000 ] - [ -0.0024772900000000, 0.0002965900000000, 0.0031028500000000 ] - [ -0.0006855500000000, 0.0015556800000000, 0.0041662200000000 ] - [ -0.0011769400000000, 0.0022575000000000, 0.0013927500000000 ] - [ 0.0073642800000000, -0.0071098500000000, 0.0107170800000000 ] - [ -0.0067416300000000, 0.0021225500000000, 0.0026188400000000 ] - [ 0.0002215300000000, -0.0015934200000000, 0.0029431000000000 ] - [ -0.0009843900000000, -0.0020535800000000, 0.0024181900000000 ] - [ 0.0172310400000000, -0.0052414900000000, -0.0137782800000000 ] - [ -0.0059573800000000, -0.0030571600000000, 0.0016338200000000 ] - [ 0.0086132100000000, 0.0109695900000000, 0.0056157700000000 ] - [ -0.0054414400000000, 0.0015564300000000, -0.0026073800000000 ] - [ 0.0005878500000000, 0.0021313800000000, -0.0010622400000000 ] - [ 0.0000997100000000, 0.0014329100000000, -0.0038351700000000 ] - [ 0.0082479400000000, -0.0027511900000000, 0.0037744600000000 ] - [ -0.0018730600000000, -0.0002939200000000, -0.0044846200000000 ] - [ 0.0007966000000000, 0.0003434300000000, -0.0021937300000000 ] - [ -0.0002780400000000, -0.0000449800000000, -0.0047284500000000 ] - [ 0.0020019900000000, -0.0026662100000000, -0.0013893700000000 ] - [ -0.0006017100000000, -0.0011282300000000, -0.0023522100000000 ] - [ 0.0009018700000000, -0.0021596900000000, -0.0023435700000000 ] - [ 0.0003852200000000, -0.0015460100000000, -0.0029835500000000 ] - [ -0.0002117700000000, -0.0003738800000000, 0.0031527900000000 ] - [ -0.0005380800000000, 0.0001073100000000, 0.0036831600000000 ] - [ -0.0003284000000000, -0.0037581500000000, 0.0047279600000000 ] - [ -0.0022004700000000, 0.0039039300000000, 0.0024371100000000 ] - [ -0.0002365200000000, 0.0020315800000000, 0.0023479900000000 ] - [ -0.0009136700000000, 0.0019878200000000, 0.0024399400000000 ] - [ 0.0013305400000000, 0.0015770600000000, 0.0029943900000000 ] - [ -0.0022760800000000, 0.0028272500000000, 0.0027755900000000 ] - [ -0.0003747900000000, -0.0015309800000000, 0.0028861200000000 ] - [ -0.0008901100000000, -0.0021442600000000, 0.0022458800000000 ] - [ 0.0007133400000000, -0.0010315500000000, 0.0038392600000000 ] - [ -0.0018738600000000, -0.0025695100000000, 0.0028781800000000 ] - [ 0.0025876400000000, 0.0020938400000000, -0.0022286100000000 ] - [ -0.0009936000000000, 0.0008533900000000, -0.0024561500000000 ] - [ 0.0010399000000000, 0.0016568500000000, -0.0028852700000000 ] - [ 0.0003635100000000, 0.0017010800000000, -0.0027895200000000 ] - [ 0.0002669300000000, 0.0037454400000000, -0.0028550500000000 ] - [ -0.0016366200000000, -0.0039500900000000, -0.0051452300000000 ] - [ 0.0003854100000000, 0.0003729200000000, -0.0044385800000000 ] - [ 0.0000610200000000, -0.0001088700000000, -0.0039019800000000 ] - [ -0.0795924000000000, -0.0039609900000000, -0.0006930300000000 ] - [ 0.0094081000000000, -0.0037596800000000, 0.0004908100000000 ] - [ -0.0021018900000000, -0.0037523900000000, -0.0018945200000000 ] - [ 0.0015942200000000, -0.0037539100000000, 0.0015707100000000 ] - [ 0.0174171700000000, -0.0095982600000000, 0.0059364800000000 ] - [ 0.0176046700000000, 0.0172345000000000, 0.0059570400000000 ] - [ 0.0004510500000000, 0.0042380500000000, 0.0000461000000000 ] - [ 0.0004533400000000, 0.0032727100000000, 0.0000487300000000 ] - [ 0.0008118600000000, -0.0072494100000000, -0.0001826500000000 ] - [ 0.0007840400000000, -0.0002136000000000, -0.0001962400000000 ] - [ 0.0003761600000000, -0.0041427600000000, 0.0004755500000000 ] - [ 0.0003720500000000, -0.0033583800000000, 0.0004738300000000 ] - [ -0.0106259100000000, 0.0037792200000000, -0.0113101100000000 ] - [ 0.0039596600000000, 0.0037523700000000, 0.0001467700000000 ] - [ -0.0019185200000000, 0.0037489900000000, -0.0009973300000000 ] - [ 0.0010172200000000, 0.0037522400000000, 0.0007215700000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0032270500000000, -0.0008453700000000, -0.0015783500000000 ] - [ -0.0032270500000000, -0.0008453700000000, 0.0015783500000000 ] - [ -0.0000261100000000, -0.0002085000000000, 0.0002166100000000 ] - [ 0.0000261100000000, -0.0002085000000000, -0.0002166100000000 ] - [ 0.0026302800000000, -0.0008553900000000, -0.0019688000000000 ] - [ -0.0002518400000000, -0.0003787500000000, 0.0001642600000000 ] - [ -0.0026302800000000, -0.0008553900000000, 0.0019688000000000 ] - [ 0.0002518400000000, -0.0003787500000000, -0.0001642600000000 ] - [ -0.0001271000000000, 0.0018479300000000, 0.0003162900000000 ] - [ -0.0006095600000000, -0.0024745200000000, 0.0000393600000000 ] - [ 0.0006095600000000, -0.0024745200000000, -0.0000393600000000 ] - [ 0.0001271000000000, 0.0018479300000000, -0.0003162900000000 ] - [ -0.0018733300000000, -0.0016155100000000, 0.0017810500000000 ] - [ 0.0000647300000000, -0.0017555600000000, 0.0003718500000000 ] - [ 0.0018733300000000, -0.0016155100000000, -0.0017810500000000 ] - [ -0.0000647300000000, -0.0017555600000000, -0.0003718500000000 ] - [ 0.0000000000000000, 0.0055026700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003332000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001412000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002857600000000, 0.0000000000000000 ] - [ -0.0000342700000000, 0.0002542200000000, 0.0002785900000000 ] - [ 0.0005745400000000, 0.0021599800000000, 0.0010208000000000 ] - [ -0.0005745400000000, 0.0021599800000000, -0.0010208000000000 ] - [ 0.0000342700000000, 0.0002542200000000, -0.0002785900000000 ] - [ 0.0001294700000000, 0.0027391800000000, -0.0002881300000000 ] - [ 0.0000245300000000, 0.0022314900000000, 0.0000838300000000 ] - [ -0.0001294700000000, 0.0027391800000000, 0.0002881300000000 ] - [ -0.0000245300000000, 0.0022314900000000, -0.0000838300000000 ] - [ 0.0004326200000000, -0.0021274400000000, -0.0001760800000000 ] - [ -0.0012500800000000, -0.0000665800000000, -0.0016708600000000 ] - [ 0.0012500800000000, -0.0000665800000000, 0.0016708600000000 ] - [ -0.0004326200000000, -0.0021274400000000, 0.0001760800000000 ] - [ -0.0014294200000000, 0.0024135300000000, -0.0036632300000000 ] - [ -0.0004105800000000, 0.0001969800000000, -0.0030024600000000 ] - [ 0.0005822000000000, -0.0008767700000000, -0.0025553900000000 ] - [ 0.0005506800000000, -0.0015983800000000, -0.0025196600000000 ] - [ -0.0005338900000000, 0.0005232700000000, 0.0038478600000000 ] - [ 0.0003915500000000, 0.0005323400000000, 0.0046689500000000 ] - [ 0.0080006900000000, 0.0131677900000000, 0.0163564900000000 ] - [ -0.0000748800000000, 0.0011620700000000, 0.0038152500000000 ] - [ -0.0006447100000000, 0.0020450200000000, 0.0022434000000000 ] - [ -0.0008253900000000, 0.0023035800000000, 0.0015050200000000 ] - [ -0.0042030200000000, 0.0174899300000000, -0.0122894900000000 ] - [ -0.0027769800000000, 0.0020912400000000, 0.0037691300000000 ] - [ -0.0005822000000000, -0.0008767700000000, 0.0025553900000000 ] - [ -0.0005506800000000, -0.0015983800000000, 0.0025196600000000 ] - [ 0.0014294200000000, 0.0024135300000000, 0.0036632300000000 ] - [ 0.0004105800000000, 0.0001969800000000, 0.0030024600000000 ] - [ 0.0042030200000000, 0.0174899300000000, 0.0122894900000000 ] - [ 0.0027769800000000, 0.0020912400000000, -0.0037691300000000 ] - [ 0.0006447100000000, 0.0020450200000000, -0.0022434000000000 ] - [ 0.0008253900000000, 0.0023035800000000, -0.0015050200000000 ] - [ -0.0080006900000000, 0.0131677900000000, -0.0163564900000000 ] - [ 0.0000748800000000, 0.0011620700000000, -0.0038152500000000 ] - [ 0.0005338900000000, 0.0005232700000000, -0.0038478600000000 ] - [ -0.0003915500000000, 0.0005323400000000, -0.0046689500000000 ] - [ 0.0031953800000000, -0.0069958500000000, -0.0014197600000000 ] - [ 0.0002880400000000, -0.0026488300000000, -0.0024343700000000 ] - [ 0.0007816700000000, -0.0023170600000000, -0.0024493500000000 ] - [ 0.0006459600000000, -0.0021832200000000, -0.0027126100000000 ] - [ -0.0003880400000000, -0.0007888900000000, 0.0029796900000000 ] - [ -0.0003170000000000, -0.0004953000000000, 0.0036122000000000 ] - [ -0.0010116400000000, -0.0029117500000000, 0.0044813900000000 ] - [ 0.0005109300000000, -0.0034174400000000, 0.0032458700000000 ] - [ -0.0008619600000000, 0.0009165500000000, 0.0039276500000000 ] - [ -0.0005474100000000, 0.0017563700000000, 0.0025896900000000 ] - [ 0.0032025700000000, -0.0013621000000000, 0.0017788100000000 ] - [ -0.0017720500000000, 0.0011407000000000, 0.0030958300000000 ] - [ -0.0007816700000000, -0.0023170600000000, 0.0024493500000000 ] - [ -0.0006459600000000, -0.0021832200000000, 0.0027126100000000 ] - [ -0.0031953800000000, -0.0069958500000000, 0.0014197600000000 ] - [ -0.0002880400000000, -0.0026488300000000, 0.0024343700000000 ] - [ -0.0032025700000000, -0.0013621000000000, -0.0017788100000000 ] - [ 0.0017720500000000, 0.0011407000000000, -0.0030958300000000 ] - [ 0.0008619600000000, 0.0009165500000000, -0.0039276500000000 ] - [ 0.0005474100000000, 0.0017563700000000, -0.0025896900000000 ] - [ 0.0010116400000000, -0.0029117500000000, -0.0044813900000000 ] - [ -0.0005109300000000, -0.0034174400000000, -0.0032458700000000 ] - [ 0.0003880400000000, -0.0007888900000000, -0.0029796900000000 ] - [ 0.0003170000000000, -0.0004953000000000, -0.0036122000000000 ] - [ 0.0000000000000000, -0.0812999700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0060437600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0045168500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0065955500000000, 0.0000000000000000 ] - [ -0.0134368700000000, 0.0048832500000000, 0.0099526300000000 ] - [ 0.0134368700000000, 0.0048832500000000, -0.0099526300000000 ] - [ 0.0004799300000000, 0.0037174800000000, -0.0003775900000000 ] - [ -0.0004799300000000, 0.0037174800000000, 0.0003775900000000 ] - [ 0.0035053900000000, 0.0020903900000000, -0.0000028100000000 ] - [ -0.0035053900000000, 0.0020903900000000, 0.0000028100000000 ] - [ 0.0003937100000000, -0.0019759200000000, 0.0003579500000000 ] - [ -0.0003937100000000, -0.0019759200000000, -0.0003579500000000 ] - [ 0.0000000000000000, 0.0262746900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0025180100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0033631200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0045091800000000, 0.0000000000000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0032507300000000, 0.0008532000000000, 0.0015937600000000 ] - [ 0.0032507300000000, 0.0008532000000000, -0.0015937600000000 ] - [ 0.0000263500000000, 0.0002087100000000, -0.0002170800000000 ] - [ -0.0000263500000000, 0.0002087100000000, 0.0002170800000000 ] - [ -0.0026517200000000, 0.0008626700000000, 0.0019828600000000 ] - [ 0.0002521100000000, 0.0003791400000000, -0.0001647500000000 ] - [ 0.0026517200000000, 0.0008626700000000, -0.0019828600000000 ] - [ -0.0002521100000000, 0.0003791400000000, 0.0001647500000000 ] - [ 0.0001315500000000, 0.0019532600000000, -0.0003172500000000 ] - [ 0.0006207000000000, 0.0062871000000000, -0.0000237500000000 ] - [ -0.0006207000000000, 0.0062871000000000, 0.0000237500000000 ] - [ -0.0001315500000000, 0.0019532600000000, 0.0003172500000000 ] - [ 0.0018646900000000, -0.0021875000000000, -0.0017792700000000 ] - [ -0.0000672400000000, -0.0020531200000000, -0.0003694900000000 ] - [ -0.0018646900000000, -0.0021875000000000, 0.0017792700000000 ] - [ 0.0000672400000000, -0.0020531200000000, 0.0003694900000000 ] - [ 0.0000000000000000, -0.0054574800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003295400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001415000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002865400000000, 0.0000000000000000 ] - [ 0.0000356000000000, -0.0002528300000000, -0.0002787300000000 ] - [ -0.0005715700000000, -0.0021667000000000, -0.0010179700000000 ] - [ 0.0005715700000000, -0.0021667000000000, 0.0010179700000000 ] - [ -0.0000356000000000, -0.0002528300000000, 0.0002787300000000 ] - [ -0.0001327100000000, 0.0010594600000000, 0.0002903800000000 ] - [ -0.0000247100000000, 0.0015761200000000, -0.0000832900000000 ] - [ 0.0001327100000000, 0.0010594600000000, -0.0002903800000000 ] - [ 0.0000247100000000, 0.0015761200000000, 0.0000832900000000 ] - [ -0.0004337000000000, -0.0016810300000000, 0.0001771900000000 ] - [ 0.0012583000000000, -0.0037376300000000, 0.0016817400000000 ] - [ -0.0012583000000000, -0.0037376300000000, -0.0016817400000000 ] - [ 0.0004337000000000, -0.0016810300000000, -0.0001771900000000 ] - [ 0.0029099900000000, -0.0061688900000000, -0.0017236800000000 ] - [ 0.0016895200000000, -0.0038926000000000, -0.0022143900000000 ] - [ 0.0006918000000000, -0.0028173600000000, -0.0026665000000000 ] - [ 0.0007241900000000, -0.0020927400000000, -0.0027100100000000 ] - [ -0.0000641500000000, -0.0005232600000000, 0.0037437400000000 ] - [ -0.0009917800000000, -0.0005330900000000, 0.0029168600000000 ] - [ -0.0089714700000000, -0.0137047000000000, -0.0093172500000000 ] - [ -0.0005202200000000, -0.0011598600000000, 0.0037751000000000 ] - [ -0.0006291700000000, 0.0016417800000000, 0.0029869700000000 ] - [ -0.0004527600000000, 0.0013864000000000, 0.0037248900000000 ] - [ 0.0025114800000000, -0.0132330700000000, 0.0170012900000000 ] - [ 0.0014793700000000, 0.0015943800000000, 0.0014566800000000 ] - [ -0.0006918000000000, -0.0028173600000000, 0.0026665000000000 ] - [ -0.0007241900000000, -0.0020927400000000, 0.0027100100000000 ] - [ -0.0029099900000000, -0.0061688900000000, 0.0017236800000000 ] - [ -0.0016895200000000, -0.0038926000000000, 0.0022143900000000 ] - [ -0.0025114800000000, -0.0132330700000000, -0.0170012900000000 ] - [ -0.0014793700000000, 0.0015943800000000, -0.0014566800000000 ] - [ 0.0006291700000000, 0.0016417800000000, -0.0029869700000000 ] - [ 0.0004527600000000, 0.0013864000000000, -0.0037248900000000 ] - [ 0.0089714700000000, -0.0137047000000000, 0.0093172500000000 ] - [ 0.0005202200000000, -0.0011598600000000, -0.0037751000000000 ] - [ 0.0000641500000000, -0.0005232600000000, -0.0037437400000000 ] - [ 0.0009917800000000, -0.0005330900000000, -0.0029168600000000 ] - [ -0.0019417300000000, 0.0033582400000000, -0.0038060700000000 ] - [ 0.0009877900000000, -0.0010400500000000, -0.0027946500000000 ] - [ 0.0004947700000000, -0.0013743000000000, -0.0027795500000000 ] - [ 0.0006298700000000, -0.0015069400000000, -0.0025151000000000 ] - [ -0.0002102100000000, 0.0007891300000000, 0.0046077700000000 ] - [ -0.0002819300000000, 0.0004956500000000, 0.0039758400000000 ] - [ 0.0004253000000000, 0.0029522400000000, 0.0031095700000000 ] - [ -0.0011026600000000, 0.0034315400000000, 0.0043386600000000 ] - [ -0.0004127500000000, 0.0027754100000000, 0.0012955100000000 ] - [ -0.0007294400000000, 0.0019334400000000, 0.0026404200000000 ] - [ -0.0044923100000000, 0.0050512000000000, 0.0034553000000000 ] - [ 0.0005029200000000, 0.0025550900000000, 0.0021310200000000 ] - [ -0.0004947700000000, -0.0013743000000000, 0.0027795500000000 ] - [ -0.0006298700000000, -0.0015069400000000, 0.0025151000000000 ] - [ 0.0019417300000000, 0.0033582400000000, 0.0038060700000000 ] - [ -0.0009877900000000, -0.0010400500000000, 0.0027946500000000 ] - [ 0.0044923100000000, 0.0050512000000000, -0.0034553000000000 ] - [ -0.0005029200000000, 0.0025550900000000, -0.0021310200000000 ] - [ 0.0004127500000000, 0.0027754100000000, -0.0012955100000000 ] - [ 0.0007294400000000, 0.0019334400000000, -0.0026404200000000 ] - [ -0.0004253000000000, 0.0029522400000000, -0.0031095700000000 ] - [ 0.0011026600000000, 0.0034315400000000, -0.0043386600000000 ] - [ 0.0002102100000000, 0.0007891300000000, -0.0046077700000000 ] - [ 0.0002819300000000, 0.0004956500000000, -0.0039758400000000 ] - [ 0.0000000000000000, 0.0739276400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014855300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029914700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009018800000000, 0.0000000000000000 ] - [ 0.0134058700000000, 0.0026204900000000, -0.0099455100000000 ] - [ -0.0134058700000000, 0.0026204900000000, 0.0099455100000000 ] - [ -0.0004859600000000, 0.0037873100000000, 0.0003738800000000 ] - [ 0.0004859600000000, 0.0037873100000000, -0.0003738800000000 ] - [ -0.0035324300000000, -0.0096139700000000, 0.0000274100000000 ] - [ 0.0035324300000000, -0.0096139700000000, -0.0000274100000000 ] - [ -0.0003933600000000, -0.0055281100000000, -0.0003607900000000 ] - [ 0.0003933600000000, -0.0055281100000000, 0.0003607900000000 ] - [ 0.0000000000000000, -0.0190281800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0049897200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0041444600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0029918800000000, 0.0000000000000000 ]- atom: 81 displacement: [ -0.0032276650590697, 0.0000000000000000, 0.0094647862240233 ] forces: - [ -0.0000171100000000, -0.0024922600000000, -0.0025457700000000 ] - [ -0.0000109600000000, 0.0024779700000000, -0.0025334200000000 ] - [ -0.0000360800000000, 0.0001138200000000, 0.0001521400000000 ] - [ -0.0000356600000000, -0.0001134400000000, 0.0001518300000000 ] - [ -0.0002075400000000, -0.0021774700000000, 0.0028122700000000 ] - [ -0.0000135400000000, 0.0001173800000000, -0.0000137600000000 ] - [ -0.0002092100000000, 0.0021537100000000, 0.0027877200000000 ] - [ -0.0000131600000000, -0.0001179900000000, -0.0000137700000000 ] - [ -0.0019666700000000, 0.0017580600000000, 0.0015567800000000 ] - [ 0.0015101800000000, 0.0019147800000000, 0.0017699900000000 ] - [ 0.0015031700000000, 0.0018861200000000, 0.0017639600000000 ] - [ -0.0019565800000000, 0.0020435800000000, 0.0015560200000000 ] - [ 0.0002791200000000, 0.0002974500000000, 0.0027154700000000 ] - [ -0.0000873400000000, -0.0019885800000000, -0.0000763200000000 ] - [ 0.0002733600000000, -0.0040715300000000, 0.0026928200000000 ] - [ -0.0000886500000000, -0.0018147200000000, -0.0000759400000000 ] - [ -0.0009958000000000, -0.0000025400000000, -0.0017755600000000 ] - [ -0.0002440100000000, -0.0000008900000000, -0.0001424100000000 ] - [ -0.0000391000000000, 0.0000004000000000, 0.0000960300000000 ] - [ 0.0000905000000000, 0.0000001400000000, 0.0000026000000000 ] - [ -0.0001454400000000, 0.0002213300000000, 0.0001861100000000 ] - [ 0.0004546800000000, 0.0007414300000000, 0.0005771600000000 ] - [ 0.0004552700000000, -0.0007389800000000, 0.0005774500000000 ] - [ -0.0001443700000000, -0.0002217000000000, 0.0001873900000000 ] - [ -0.0000518200000000, 0.0020311600000000, 0.0001511500000000 ] - [ -0.0001124800000000, 0.0017726300000000, -0.0000997700000000 ] - [ -0.0000525000000000, 0.0017699300000000, 0.0001522100000000 ] - [ -0.0001135900000000, 0.0020321800000000, -0.0001003200000000 ] - [ -0.0001113500000000, -0.0021338700000000, 0.0001357600000000 ] - [ 0.0005458900000000, -0.0027377900000000, 0.0008133900000000 ] - [ 0.0005427800000000, -0.0010684100000000, 0.0008145400000000 ] - [ -0.0001113300000000, -0.0016705500000000, 0.0001368900000000 ] - [ -0.0157747000000000, -0.0076363300000000, 0.0185048600000000 ] - [ 0.0012872100000000, -0.0019577000000000, -0.0003736100000000 ] - [ 0.0009065600000000, -0.0013999900000000, -0.0047501600000000 ] - [ 0.0005030100000000, -0.0017217400000000, -0.0027278000000000 ] - [ -0.0002895900000000, 0.0001906800000000, 0.0023386200000000 ] - [ -0.0008105500000000, 0.0000488800000000, 0.0031762200000000 ] - [ 0.0052030600000000, 0.0051269900000000, 0.0153933300000000 ] - [ 0.0009224100000000, -0.0004218300000000, 0.0045337700000000 ] - [ -0.0000254400000000, 0.0020223800000000, 0.0010690600000000 ] - [ -0.0010263700000000, 0.0018588700000000, 0.0020336200000000 ] - [ -0.0012350400000000, -0.0073098900000000, 0.0165400700000000 ] - [ 0.0014046700000000, 0.0023674000000000, 0.0039380800000000 ] - [ -0.0003796100000000, -0.0022895100000000, 0.0004883600000000 ] - [ -0.0007737500000000, -0.0019667800000000, 0.0025022500000000 ] - [ -0.0160255300000000, 0.0039911500000000, 0.0231075700000000 ] - [ 0.0000253500000000, -0.0017354000000000, 0.0048676700000000 ] - [ 0.0001247800000000, 0.0110971800000000, 0.0113113500000000 ] - [ 0.0026668700000000, 0.0013238000000000, -0.0012931900000000 ] - [ 0.0012422800000000, 0.0016626600000000, -0.0041512500000000 ] - [ 0.0002513500000000, 0.0018308000000000, -0.0031949600000000 ] - [ 0.0058887200000000, -0.0052287400000000, 0.0078134900000000 ] - [ 0.0015257700000000, 0.0004241200000000, -0.0030503600000000 ] - [ 0.0003056800000000, -0.0001861800000000, -0.0052398700000000 ] - [ -0.0002131100000000, -0.0000496000000000, -0.0044112500000000 ] - [ 0.0006823800000000, -0.0019739600000000, -0.0011320400000000 ] - [ 0.0009595300000000, -0.0018110700000000, -0.0025413900000000 ] - [ 0.0007267100000000, -0.0017899000000000, -0.0028724600000000 ] - [ 0.0004532700000000, -0.0018497500000000, -0.0026044500000000 ] - [ -0.0004017200000000, -0.0001837400000000, 0.0033287900000000 ] - [ -0.0003060900000000, 0.0000942600000000, 0.0035571500000000 ] - [ -0.0002705200000000, 0.0020406700000000, 0.0055377800000000 ] - [ 0.0000412800000000, -0.0013751800000000, 0.0056100000000000 ] - [ -0.0003385600000000, 0.0020472300000000, 0.0020238500000000 ] - [ -0.0007439900000000, 0.0019504400000000, 0.0025472600000000 ] - [ -0.0007038300000000, 0.0016657400000000, 0.0044953300000000 ] - [ -0.0003534500000000, 0.0007878200000000, 0.0030588900000000 ] - [ -0.0005487300000000, -0.0018977800000000, 0.0023593800000000 ] - [ -0.0008238600000000, -0.0018392200000000, 0.0026241600000000 ] - [ -0.0005940700000000, -0.0017152200000000, 0.0040947700000000 ] - [ -0.0003168100000000, -0.0018770500000000, 0.0026872500000000 ] - [ 0.0005645100000000, 0.0020183100000000, -0.0007306800000000 ] - [ 0.0009226800000000, 0.0028955400000000, -0.0021709100000000 ] - [ 0.0009384900000000, 0.0016443000000000, -0.0032051100000000 ] - [ 0.0005330400000000, 0.0017378900000000, -0.0026835900000000 ] - [ 0.0003280600000000, -0.0020535700000000, -0.0020426800000000 ] - [ 0.0006336900000000, 0.0013587200000000, -0.0019828200000000 ] - [ 0.0001963300000000, 0.0001830900000000, -0.0042582000000000 ] - [ 0.0002916000000000, -0.0000938400000000, -0.0040284200000000 ] - [ 0.0250755300000000, -0.0038048100000000, -0.0691409900000000 ] - [ -0.0025723200000000, -0.0037451900000000, -0.0008247800000000 ] - [ -0.0011194200000000, -0.0037507400000000, 0.0027765500000000 ] - [ 0.0009699700000000, -0.0037523200000000, 0.0006295900000000 ] - [ -0.0000251000000000, 0.0175272600000000, -0.0185235300000000 ] - [ 0.0000039700000000, -0.0099700900000000, -0.0184782100000000 ] - [ -0.0001029000000000, 0.0032402800000000, 0.0012308700000000 ] - [ -0.0000989700000000, 0.0042637900000000, 0.0012289300000000 ] - [ -0.0004376000000000, -0.0025964500000000, -0.0007010300000000 ] - [ -0.0004371600000000, -0.0048967600000000, -0.0007018200000000 ] - [ 0.0003275800000000, -0.0039653400000000, 0.0002084700000000 ] - [ 0.0003292700000000, -0.0035392200000000, 0.0002118000000000 ] - [ -0.0072651900000000, 0.0037541400000000, -0.0129822300000000 ] - [ -0.0011385400000000, 0.0037508800000000, -0.0008982900000000 ] - [ -0.0003292000000000, 0.0037470400000000, 0.0011491900000000 ] - [ 0.0003554400000000, 0.0037512200000000, 0.0003051800000000 ]