# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/93368111-41d6-4686-8591-28160962ea70/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 Nb2O5 / I4/mmm (139) / materials id 556048](https://mdr.nims.go.jp/datasets/ede36436-b03a-4e06-be5a-b7c342754d9d) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "I4/mmm" number: 139 Hall_symbol: "-I 4 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -10.277289005000000, 10.277289005000000, 1.917984695000000 ] # a - [ 10.277289005000000, -10.277289005000000, 1.917984695000000 ] # b - [ 10.277289005000000, 10.277289005000000, -1.917984695000000 ] # c points: - symbol: Nb # 1 coordinates: [ 0.864719270000000, 0.266926480000000, 0.131645750000000 ] mass: 92.906380 - symbol: Nb # 2 coordinates: [ 0.868177660000000, 0.000000000000000, 0.868177660000000 ] mass: 92.906380 - symbol: Nb # 3 coordinates: [ 0.401464260000000, 0.000000000000000, 0.401464260000000 ] mass: 92.906380 - symbol: Nb # 4 coordinates: [ 0.000000000000000, 0.401464260000000, 0.401464260000000 ] mass: 92.906380 - symbol: Nb # 5 coordinates: [ 0.733073520000000, 0.864719270000000, 0.597792790000000 ] mass: 92.906380 - symbol: Nb # 6 coordinates: [ 0.000000000000000, 0.598535740000000, 0.598535740000000 ] mass: 92.906380 - symbol: Nb # 7 coordinates: [ 0.266926480000000, 0.135280730000000, 0.402207210000000 ] mass: 92.906380 - symbol: Nb # 8 coordinates: [ 0.000000000000000, 0.131822340000000, 0.131822340000000 ] mass: 92.906380 - symbol: Nb # 9 coordinates: [ 0.131822340000000, 0.000000000000000, 0.131822340000000 ] mass: 92.906380 - symbol: Nb # 10 coordinates: [ 0.000000000000000, 0.868177660000000, 0.868177660000000 ] mass: 92.906380 - symbol: Nb # 11 coordinates: [ 0.266926480000000, 0.864719270000000, 0.131645750000000 ] mass: 92.906380 - symbol: Nb # 12 coordinates: [ 0.598535740000000, 0.000000000000000, 0.598535740000000 ] mass: 92.906380 - symbol: Nb # 13 coordinates: [ 0.864719270000000, 0.733073520000000, 0.597792790000000 ] mass: 92.906380 - symbol: Nb # 14 coordinates: [ 0.135280730000000, 0.733073520000000, 0.868354250000000 ] mass: 92.906380 - symbol: Nb # 15 coordinates: [ 0.135280730000000, 0.266926480000000, 0.402207210000000 ] mass: 92.906380 - symbol: Nb # 16 coordinates: [ 0.733073520000000, 0.135280730000000, 0.868354250000000 ] mass: 92.906380 - symbol: O # 17 coordinates: [ 0.789956650000000, 0.068903110000000, 0.858859760000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.206390340000000, 0.206390340000000, 0.412780680000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.210043350000000, 0.931096890000000, 0.141140240000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.790318530000000, 0.351405060000000, 0.141723590000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.793609660000000, 0.793609660000000, 0.587219320000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.068903110000000, 0.789956650000000, 0.858859760000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.931096890000000, 0.210043350000000, 0.141140240000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.351405060000000, 0.790318530000000, 0.141723590000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.351405060000000, 0.209681470000000, 0.561086530000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.070131210000000, 0.929868790000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.645117960000000, 0.500000000000000, 0.145117960000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.070131210000000, 0.070131210000000, 0.140262420000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.347824300000000, 0.931013010000000, 0.278837310000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.065695620000000, 0.500000000000000, 0.565695620000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.793609660000000, 0.206390340000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.929868790000000, 0.929868790000000, 0.859737580000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.354882040000000, 0.500000000000000, 0.854882040000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.652175700000000, 0.931013010000000, 0.583188710000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.790318530000000, 0.648594940000000, 0.438913470000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.648594940000000, 0.790318530000000, 0.438913470000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.500000000000000, 0.645117960000000, 0.145117960000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.931013010000000, 0.347824300000000, 0.278837310000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.652175700000000, 0.068986990000000, 0.721162690000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.068986990000000, 0.652175700000000, 0.721162690000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.500000000000000, 0.934304380000000, 0.434304380000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.347824300000000, 0.068986990000000, 0.416811290000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.929868790000000, 0.070131210000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.789956650000000, 0.931096890000000, 0.721053540000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.209681470000000, 0.351405060000000, 0.561086530000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.931096890000000, 0.789956650000000, 0.721053540000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.934304380000000, 0.500000000000000, 0.434304380000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.210043350000000, 0.068903110000000, 0.278946460000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.931013010000000, 0.652175700000000, 0.583188710000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.206390340000000, 0.793609660000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.648594940000000, 0.209681470000000, 0.858276410000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.500000000000000, 0.065695620000000, 0.565695620000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.068903110000000, 0.210043350000000, 0.278946460000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.068986990000000, 0.347824300000000, 0.416811290000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.209681470000000, 0.648594940000000, 0.858276410000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.500000000000000, 0.354882040000000, 0.854882040000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.048650962306961, 0.260690297114180 ] # a* - [ 0.048650962306961, 0.000000000000000, 0.260690297114180 ] # b* - [ 0.048650962306961, 0.048650962306961, 0.000000000000000 ] # c*unit_cell: lattice: - [ 20.554578010000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 20.554578010000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.835969390000000 ] # c points: - symbol: Nb # 1 coordinates: [ 0.766926480000000, 0.364719270000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 2 coordinates: [ 0.000000000000000, 0.868177660000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 3 coordinates: [ 0.000000000000000, 0.401464260000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 4 coordinates: [ 0.901464260000000, 0.500000000000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 5 coordinates: [ 0.864719270000000, 0.733073520000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 6 coordinates: [ 0.098535740000000, 0.500000000000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 7 coordinates: [ 0.135280730000000, 0.266926480000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 8 coordinates: [ 0.631822340000000, 0.500000000000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 9 coordinates: [ 0.000000000000000, 0.131822340000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 9 - symbol: Nb # 10 coordinates: [ 0.368177660000000, 0.500000000000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 10 - symbol: Nb # 11 coordinates: [ 0.864719270000000, 0.266926480000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 12 coordinates: [ 0.000000000000000, 0.598535740000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 12 - symbol: Nb # 13 coordinates: [ 0.233073520000000, 0.364719270000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 14 coordinates: [ 0.233073520000000, 0.635280730000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 14 - symbol: Nb # 15 coordinates: [ 0.766926480000000, 0.635280730000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 15 - symbol: Nb # 16 coordinates: [ 0.135280730000000, 0.733073520000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 16 - symbol: Nb # 17 coordinates: [ 0.266926480000000, 0.864719270000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 18 coordinates: [ 0.500000000000000, 0.368177660000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 19 coordinates: [ 0.500000000000000, 0.901464260000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 20 coordinates: [ 0.401464260000000, 0.000000000000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 21 coordinates: [ 0.364719270000000, 0.233073520000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 22 coordinates: [ 0.598535740000000, 0.000000000000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 23 coordinates: [ 0.635280730000000, 0.766926480000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 24 coordinates: [ 0.131822340000000, 0.000000000000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 25 coordinates: [ 0.500000000000000, 0.631822340000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 9 - symbol: Nb # 26 coordinates: [ 0.868177660000000, 0.000000000000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 10 - symbol: Nb # 27 coordinates: [ 0.364719270000000, 0.766926480000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 28 coordinates: [ 0.500000000000000, 0.098535740000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 12 - symbol: Nb # 29 coordinates: [ 0.733073520000000, 0.864719270000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 30 coordinates: [ 0.733073520000000, 0.135280730000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 14 - symbol: Nb # 31 coordinates: [ 0.266926480000000, 0.135280730000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 15 - symbol: Nb # 32 coordinates: [ 0.635280730000000, 0.233073520000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 16 - symbol: O # 33 coordinates: [ 0.068903110000000, 0.789956650000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.206390340000000, 0.206390340000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.931096890000000, 0.210043350000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.851405060000000, 0.290318530000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.293609660000000, 0.293609660000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.289956650000000, 0.568903110000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.710043350000000, 0.431096890000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.790318530000000, 0.351405060000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.209681470000000, 0.351405060000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.429868790000000, 0.570131210000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.000000000000000, 0.145117960000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.070131210000000, 0.070131210000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.931013010000000, 0.347824300000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.000000000000000, 0.565695620000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.206390340000000, 0.793609660000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.429868790000000, 0.429868790000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.000000000000000, 0.854882040000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.931013010000000, 0.652175700000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.148594940000000, 0.290318530000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.790318530000000, 0.648594940000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.645117960000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.847824300000000, 0.431013010000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.068986990000000, 0.652175700000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.152175700000000, 0.568986990000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.934304380000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.068986990000000, 0.347824300000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.070131210000000, 0.929868790000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.931096890000000, 0.789956650000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.851405060000000, 0.709681470000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.289956650000000, 0.431096890000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.000000000000000, 0.434304380000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.068903110000000, 0.210043350000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.152175700000000, 0.431013010000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.293609660000000, 0.706390340000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.209681470000000, 0.648594940000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.065695620000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.710043350000000, 0.568903110000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.847824300000000, 0.568986990000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.148594940000000, 0.709681470000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.354882040000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.568903110000000, 0.289956650000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 74 coordinates: [ 0.706390340000000, 0.706390340000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 75 coordinates: [ 0.431096890000000, 0.710043350000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 76 coordinates: [ 0.351405060000000, 0.790318530000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 77 coordinates: [ 0.793609660000000, 0.793609660000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 78 coordinates: [ 0.789956650000000, 0.068903110000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 79 coordinates: [ 0.210043350000000, 0.931096890000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 80 coordinates: [ 0.290318530000000, 0.851405060000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 81 coordinates: [ 0.709681470000000, 0.851405060000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 82 coordinates: [ 0.929868790000000, 0.070131210000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 83 coordinates: [ 0.500000000000000, 0.645117960000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 84 coordinates: [ 0.570131210000000, 0.570131210000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 85 coordinates: [ 0.431013010000000, 0.847824300000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 86 coordinates: [ 0.500000000000000, 0.065695620000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 87 coordinates: [ 0.706390340000000, 0.293609660000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 88 coordinates: [ 0.929868790000000, 0.929868790000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 89 coordinates: [ 0.500000000000000, 0.354882040000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 90 coordinates: [ 0.431013010000000, 0.152175700000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 91 coordinates: [ 0.648594940000000, 0.790318530000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 92 coordinates: [ 0.290318530000000, 0.148594940000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 93 coordinates: [ 0.145117960000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 94 coordinates: [ 0.347824300000000, 0.931013010000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 95 coordinates: [ 0.568986990000000, 0.152175700000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 96 coordinates: [ 0.652175700000000, 0.068986990000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 97 coordinates: [ 0.434304380000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 98 coordinates: [ 0.568986990000000, 0.847824300000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 99 coordinates: [ 0.570131210000000, 0.429868790000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 100 coordinates: [ 0.431096890000000, 0.289956650000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 101 coordinates: [ 0.351405060000000, 0.209681470000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 102 coordinates: [ 0.789956650000000, 0.931096890000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 103 coordinates: [ 0.500000000000000, 0.934304380000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 104 coordinates: [ 0.568903110000000, 0.710043350000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 105 coordinates: [ 0.652175700000000, 0.931013010000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 106 coordinates: [ 0.793609660000000, 0.206390340000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 107 coordinates: [ 0.709681470000000, 0.148594940000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 108 coordinates: [ 0.565695620000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 109 coordinates: [ 0.210043350000000, 0.068903110000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 110 coordinates: [ 0.347824300000000, 0.068986990000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 111 coordinates: [ 0.648594940000000, 0.209681470000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 112 coordinates: [ 0.854882040000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 72supercell: lattice: - [ 20.554578010000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 20.554578010000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.835969390000000 ] # c points: - symbol: Nb # 1 coordinates: [ 0.766926480000000, 0.364719270000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 2 coordinates: [ 0.000000000000000, 0.868177660000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 3 coordinates: [ 0.000000000000000, 0.401464260000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 4 coordinates: [ 0.901464260000000, 0.500000000000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 5 coordinates: [ 0.864719270000000, 0.733073520000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 6 coordinates: [ 0.098535740000000, 0.500000000000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 7 coordinates: [ 0.135280730000000, 0.266926480000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 8 coordinates: [ 0.631822340000000, 0.500000000000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 9 coordinates: [ 0.000000000000000, 0.131822340000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 9 - symbol: Nb # 10 coordinates: [ 0.368177660000000, 0.500000000000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 10 - symbol: Nb # 11 coordinates: [ 0.864719270000000, 0.266926480000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 12 coordinates: [ 0.000000000000000, 0.598535740000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 12 - symbol: Nb # 13 coordinates: [ 0.233073520000000, 0.364719270000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 14 coordinates: [ 0.233073520000000, 0.635280730000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 14 - symbol: Nb # 15 coordinates: [ 0.766926480000000, 0.635280730000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 15 - symbol: Nb # 16 coordinates: [ 0.135280730000000, 0.733073520000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 16 - symbol: Nb # 17 coordinates: [ 0.266926480000000, 0.864719270000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 18 coordinates: [ 0.500000000000000, 0.368177660000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 19 coordinates: [ 0.500000000000000, 0.901464260000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 20 coordinates: [ 0.401464260000000, 0.000000000000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 21 coordinates: [ 0.364719270000000, 0.233073520000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 22 coordinates: [ 0.598535740000000, 0.000000000000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 23 coordinates: [ 0.635280730000000, 0.766926480000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 24 coordinates: [ 0.131822340000000, 0.000000000000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 25 coordinates: [ 0.500000000000000, 0.631822340000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 9 - symbol: Nb # 26 coordinates: [ 0.868177660000000, 0.000000000000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 10 - symbol: Nb # 27 coordinates: [ 0.364719270000000, 0.766926480000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 28 coordinates: [ 0.500000000000000, 0.098535740000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 12 - symbol: Nb # 29 coordinates: [ 0.733073520000000, 0.864719270000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 30 coordinates: [ 0.733073520000000, 0.135280730000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 14 - symbol: Nb # 31 coordinates: [ 0.266926480000000, 0.135280730000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 15 - symbol: Nb # 32 coordinates: [ 0.635280730000000, 0.233073520000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 16 - symbol: O # 33 coordinates: [ 0.068903110000000, 0.789956650000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.206390340000000, 0.206390340000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.931096890000000, 0.210043350000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.851405060000000, 0.290318530000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.293609660000000, 0.293609660000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.289956650000000, 0.568903110000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.710043350000000, 0.431096890000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.790318530000000, 0.351405060000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.209681470000000, 0.351405060000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.429868790000000, 0.570131210000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.000000000000000, 0.145117960000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.070131210000000, 0.070131210000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.931013010000000, 0.347824300000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.000000000000000, 0.565695620000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.206390340000000, 0.793609660000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.429868790000000, 0.429868790000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.000000000000000, 0.854882040000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.931013010000000, 0.652175700000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.148594940000000, 0.290318530000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.790318530000000, 0.648594940000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.645117960000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.847824300000000, 0.431013010000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.068986990000000, 0.652175700000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.152175700000000, 0.568986990000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.934304380000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.068986990000000, 0.347824300000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.070131210000000, 0.929868790000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.931096890000000, 0.789956650000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.851405060000000, 0.709681470000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.289956650000000, 0.431096890000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.000000000000000, 0.434304380000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.068903110000000, 0.210043350000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.152175700000000, 0.431013010000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.293609660000000, 0.706390340000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.209681470000000, 0.648594940000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.065695620000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.710043350000000, 0.568903110000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.847824300000000, 0.568986990000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.148594940000000, 0.709681470000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.354882040000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.568903110000000, 0.289956650000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 74 coordinates: [ 0.706390340000000, 0.706390340000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 75 coordinates: [ 0.431096890000000, 0.710043350000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 76 coordinates: [ 0.351405060000000, 0.790318530000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 77 coordinates: [ 0.793609660000000, 0.793609660000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 78 coordinates: [ 0.789956650000000, 0.068903110000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 79 coordinates: [ 0.210043350000000, 0.931096890000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 80 coordinates: [ 0.290318530000000, 0.851405060000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 81 coordinates: [ 0.709681470000000, 0.851405060000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 82 coordinates: [ 0.929868790000000, 0.070131210000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 83 coordinates: [ 0.500000000000000, 0.645117960000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 84 coordinates: [ 0.570131210000000, 0.570131210000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 85 coordinates: [ 0.431013010000000, 0.847824300000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 86 coordinates: [ 0.500000000000000, 0.065695620000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 87 coordinates: [ 0.706390340000000, 0.293609660000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 88 coordinates: [ 0.929868790000000, 0.929868790000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 89 coordinates: [ 0.500000000000000, 0.354882040000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 90 coordinates: [ 0.431013010000000, 0.152175700000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 91 coordinates: [ 0.648594940000000, 0.790318530000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 92 coordinates: [ 0.290318530000000, 0.148594940000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 93 coordinates: [ 0.145117960000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 94 coordinates: [ 0.347824300000000, 0.931013010000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 95 coordinates: [ 0.568986990000000, 0.152175700000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 96 coordinates: [ 0.652175700000000, 0.068986990000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 97 coordinates: [ 0.434304380000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 98 coordinates: [ 0.568986990000000, 0.847824300000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 99 coordinates: [ 0.570131210000000, 0.429868790000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 100 coordinates: [ 0.431096890000000, 0.289956650000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 101 coordinates: [ 0.351405060000000, 0.209681470000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 102 coordinates: [ 0.789956650000000, 0.931096890000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 103 coordinates: [ 0.500000000000000, 0.934304380000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 104 coordinates: [ 0.568903110000000, 0.710043350000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 105 coordinates: [ 0.652175700000000, 0.931013010000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 106 coordinates: [ 0.793609660000000, 0.206390340000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 107 coordinates: [ 0.709681470000000, 0.148594940000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 108 coordinates: [ 0.565695620000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 109 coordinates: [ 0.210043350000000, 0.068903110000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 110 coordinates: [ 0.347824300000000, 0.068986990000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 111 coordinates: [ 0.648594940000000, 0.209681470000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 112 coordinates: [ 0.854882040000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 72displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.3648711800000000, 0.0941886800000000, 0.0000000000000000 ] - [ 0.0000351900000000, 0.0016512900000000, 0.0000000000000000 ] - [ 0.0210078600000000, 0.0005668600000000, 0.0000000000000000 ] - [ 0.0228855800000000, 0.0480093100000000, 0.0000000000000000 ] - [ -0.0071356300000000, 0.0061625100000000, 0.0000000000000000 ] - [ 0.0110585000000000, 0.0022952400000000, 0.0000000000000000 ] - [ 0.0141642800000000, -0.0061626000000000, 0.0000000000000000 ] - [ 0.0226817600000000, -0.0459401800000000, 0.0000000000000000 ] - [ 0.0077901300000000, -0.0128333500000000, 0.0000000000000000 ] - [ 0.0154587000000000, -0.0050915900000000, 0.0000000000000000 ] - [ -0.0027491900000000, -0.0437593800000000, 0.0000000000000000 ] - [ 0.0074985500000000, 0.0104971200000000, 0.0000000000000000 ] - [ 0.0133695500000000, -0.0024131800000000, 0.0000000000000000 ] - [ 0.0100177700000000, 0.0013696800000000, 0.0000000000000000 ] - [ -0.0262731900000000, 0.0044012400000000, 0.0000000000000000 ] - [ 0.0072285500000000, 0.0047603100000000, 0.0000000000000000 ] - [ 0.0056285200000000, 0.0015292400000000, 0.0000000000000000 ] - [ 0.0254504200000000, -0.0028154200000000, 0.0000000000000000 ] - [ 0.0003769600000000, 0.0014202700000000, 0.0000000000000000 ] - [ 0.0037006800000000, 0.0024809500000000, 0.0000000000000000 ] - [ 0.0143049600000000, 0.0013385200000000, 0.0000000000000000 ] - [ -0.0018541600000000, 0.0049482100000000, 0.0000000000000000 ] - [ -0.0065737000000000, -0.0013437100000000, 0.0000000000000000 ] - [ 0.0047023300000000, -0.0024476700000000, 0.0000000000000000 ] - [ 0.0080745700000000, -0.0130157600000000, 0.0000000000000000 ] - [ -0.0061075900000000, -0.0022370000000000, 0.0000000000000000 ] - [ 0.0063895300000000, -0.0012221200000000, 0.0000000000000000 ] - [ 0.0083023800000000, 0.0075623700000000, 0.0000000000000000 ] - [ -0.0062821000000000, 0.0026583700000000, 0.0000000000000000 ] - [ -0.0296834800000000, -0.0000564700000000, 0.0000000000000000 ] - [ 0.0086986900000000, -0.0014501600000000, 0.0000000000000000 ] - [ 0.0398447100000000, 0.0496784200000000, 0.0000000000000000 ] - [ -0.0010510100000000, -0.0006956000000000, 0.0000000000000000 ] - [ -0.0072026400000000, 0.0052921300000000, 0.0000000000000000 ] - [ -0.0081311700000000, 0.0108273300000000, 0.0000000000000000 ] - [ 0.0081455200000000, 0.0067606700000000, 0.0000000000000000 ] - [ -0.0071382400000000, 0.0059966400000000, 0.0000000000000000 ] - [ -0.0061264600000000, 0.0040195500000000, 0.0000000000000000 ] - [ 0.1495496200000000, -0.1462498800000000, 0.0000000000000000 ] - [ 0.0504965700000000, -0.0183943200000000, 0.0000000000000000 ] - [ -0.0037433900000000, -0.0004557600000000, 0.0000000000000000 ] - [ -0.0030191000000000, -0.0004787700000000, 0.0000000000000000 ] - [ -0.0019990600000000, 0.0017848700000000, 0.0000000000000000 ] - [ -0.0049157200000000, 0.0048133100000000, 0.0000000000000000 ] - [ -0.0091165800000000, -0.0026164700000000, 0.0000000000000000 ] - [ -0.0070533400000000, -0.0047701400000000, 0.0000000000000000 ] - [ -0.0040431400000000, -0.0028986900000000, 0.0000000000000000 ] - [ -0.0116948700000000, 0.0090420600000000, 0.0000000000000000 ] - [ -0.0000305400000000, 0.0003156200000000, 0.0000000000000000 ] - [ 0.0029664000000000, -0.0049798100000000, 0.0000000000000000 ] - [ -0.0036313500000000, -0.0000880200000000, 0.0000000000000000 ] - [ 0.0043208300000000, -0.0018494700000000, 0.0000000000000000 ] - [ -0.0035112700000000, 0.0090711000000000, 0.0000000000000000 ] - [ 0.0151719700000000, -0.0055274400000000, 0.0000000000000000 ] - [ -0.0063600400000000, -0.0055277800000000, 0.0000000000000000 ] - [ -0.0056378500000000, -0.0049213600000000, 0.0000000000000000 ] - [ -0.0079254000000000, -0.0027261900000000, 0.0000000000000000 ] - [ -0.0102959900000000, 0.0076501300000000, 0.0000000000000000 ] - [ -0.0002975800000000, -0.0001835200000000, 0.0000000000000000 ] - [ 0.0008146700000000, -0.0009677600000000, 0.0000000000000000 ] - [ 0.0026319900000000, -0.0009036700000000, 0.0000000000000000 ] - [ -0.0061157100000000, -0.0035048900000000, 0.0000000000000000 ] - [ -0.0059323700000000, -0.0011519700000000, 0.0000000000000000 ] - [ -0.0037555300000000, 0.0000979800000000, 0.0000000000000000 ] - [ -0.0058698200000000, 0.0040665500000000, 0.0000000000000000 ] - [ -0.0034300000000000, -0.0031036300000000, 0.0000000000000000 ] - [ -0.0023711700000000, -0.0001041500000000, 0.0000000000000000 ] - [ -0.0046478900000000, -0.0020532200000000, 0.0000000000000000 ] - [ 0.0146501100000000, 0.0152673200000000, 0.0000000000000000 ] - [ 0.0190903300000000, -0.0228128400000000, 0.0000000000000000 ] - [ -0.0021467900000000, -0.0002192000000000, 0.0000000000000000 ] - [ -0.0019867400000000, 0.0004545600000000, 0.0000000000000000 ] - [ -0.0129715900000000, 0.0050087400000000, 0.0000000000000000 ] - [ 0.0045748300000000, -0.0040130800000000, 0.0000000000000000 ] - [ -0.0042898300000000, 0.0048192300000000, 0.0000000000000000 ] - [ -0.0013386900000000, 0.0005377000000000, 0.0000000000000000 ] - [ 0.0046761600000000, -0.0037037100000000, 0.0000000000000000 ] - [ 0.0050440300000000, -0.0037989100000000, 0.0000000000000000 ] - [ -0.0019900000000000, 0.0016978100000000, 0.0000000000000000 ] - [ -0.0017122500000000, 0.0004478300000000, 0.0000000000000000 ] - [ 0.0017787600000000, 0.0002727700000000, 0.0000000000000000 ] - [ 0.0038891400000000, 0.0053705400000000, 0.0000000000000000 ] - [ -0.0006822500000000, 0.0015417800000000, 0.0000000000000000 ] - [ -0.0120732100000000, 0.0153402500000000, 0.0000000000000000 ] - [ -0.0009235300000000, -0.0005082600000000, 0.0000000000000000 ] - [ -0.0004894400000000, -0.0028843500000000, 0.0000000000000000 ] - [ 0.0646487100000000, 0.0517121700000000, 0.0000000000000000 ] - [ 0.0006431300000000, -0.0005823400000000, 0.0000000000000000 ] - [ -0.0040645700000000, 0.0009616800000000, 0.0000000000000000 ] - [ -0.0038675700000000, 0.0019142800000000, 0.0000000000000000 ] - [ 0.0013186800000000, 0.0004413700000000, 0.0000000000000000 ] - [ -0.0031720700000000, -0.0013022600000000, 0.0000000000000000 ] - [ -0.0014630500000000, 0.0001921900000000, 0.0000000000000000 ] - [ -0.0022844300000000, -0.0022789700000000, 0.0000000000000000 ] - [ -0.0104366300000000, -0.0125215100000000, 0.0000000000000000 ] - [ 0.0018613100000000, -0.0014609600000000, 0.0000000000000000 ] - [ -0.0014165400000000, -0.0019521900000000, 0.0000000000000000 ] - [ 0.0007308400000000, -0.0004780000000000, 0.0000000000000000 ] - [ -0.0087697800000000, -0.0003192800000000, 0.0000000000000000 ] - [ -0.0089700600000000, -0.0064406300000000, 0.0000000000000000 ] - [ -0.0028853600000000, -0.0011871400000000, 0.0000000000000000 ] - [ 0.0019425000000000, 0.0014225600000000, 0.0000000000000000 ] - [ -0.0003411000000000, -0.0007505500000000, 0.0000000000000000 ] - [ 0.0037803600000000, 0.0046065500000000, 0.0000000000000000 ] - [ 0.0027170200000000, -0.0030393200000000, 0.0000000000000000 ] - [ 0.0286415700000000, 0.0238249800000000, 0.0000000000000000 ] - [ 0.0098986900000000, -0.0086365000000000, 0.0000000000000000 ] - [ 0.0004469000000000, -0.0016907100000000, 0.0000000000000000 ] - [ -0.0023514400000000, -0.0018819900000000, 0.0000000000000000 ] - [ -0.0021679700000000, 0.0010041800000000, 0.0000000000000000 ] - [ 0.0045280600000000, -0.0147512000000000, 0.0000000000000000 ] - [ 0.0017434700000000, 0.0000600000000000, 0.0000000000000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.3712818300000000, -0.0980833000000000, 0.0000000000000000 ] - [ -0.0000388900000000, 0.0000967300000000, 0.0000000000000000 ] - [ -0.0208351400000000, -0.0007682700000000, 0.0000000000000000 ] - [ -0.0227245700000000, -0.0474794600000000, 0.0000000000000000 ] - [ 0.0073545000000000, -0.0060927700000000, 0.0000000000000000 ] - [ -0.0107663900000000, -0.0022753300000000, 0.0000000000000000 ] - [ -0.0143377700000000, 0.0060914900000000, 0.0000000000000000 ] - [ -0.0242459700000000, 0.0458113900000000, 0.0000000000000000 ] - [ -0.0077699800000000, 0.0110358900000000, 0.0000000000000000 ] - [ -0.0136469600000000, 0.0050629200000000, 0.0000000000000000 ] - [ 0.0027019200000000, 0.0435142300000000, 0.0000000000000000 ] - [ -0.0074539900000000, -0.0102098100000000, 0.0000000000000000 ] - [ -0.0132680100000000, 0.0026627600000000, 0.0000000000000000 ] - [ -0.0099322500000000, -0.0016211200000000, 0.0000000000000000 ] - [ 0.0261239100000000, -0.0046260300000000, 0.0000000000000000 ] - [ -0.0074521900000000, -0.0046992400000000, 0.0000000000000000 ] - [ -0.0056139000000000, -0.0012474100000000, 0.0000000000000000 ] - [ -0.0253264300000000, 0.0044658900000000, 0.0000000000000000 ] - [ -0.0003728900000000, -0.0016346700000000, 0.0000000000000000 ] - [ -0.0038964800000000, -0.0024620900000000, 0.0000000000000000 ] - [ -0.0139498400000000, -0.0013237000000000, 0.0000000000000000 ] - [ 0.0020663700000000, -0.0049114600000000, 0.0000000000000000 ] - [ 0.0062720100000000, 0.0013174300000000, 0.0000000000000000 ] - [ -0.0064090700000000, 0.0024385900000000, 0.0000000000000000 ] - [ -0.0080272300000000, 0.0112250300000000, 0.0000000000000000 ] - [ 0.0077947600000000, 0.0022371400000000, 0.0000000000000000 ] - [ -0.0060816700000000, 0.0011980600000000, 0.0000000000000000 ] - [ -0.0082562500000000, -0.0073029300000000, 0.0000000000000000 ] - [ 0.0062585500000000, -0.0023685700000000, 0.0000000000000000 ] - [ 0.0294878400000000, -0.0002094700000000, 0.0000000000000000 ] - [ -0.0086644100000000, 0.0011689900000000, 0.0000000000000000 ] - [ -0.0399544800000000, -0.0496421900000000, 0.0000000000000000 ] - [ 0.0006868900000000, 0.0000824000000000, 0.0000000000000000 ] - [ 0.0066978000000000, -0.0057117400000000, 0.0000000000000000 ] - [ 0.0085182800000000, -0.0102167700000000, 0.0000000000000000 ] - [ -0.0076400700000000, -0.0073035100000000, 0.0000000000000000 ] - [ 0.0075472400000000, -0.0055002600000000, 0.0000000000000000 ] - [ 0.0054904600000000, -0.0043592000000000, 0.0000000000000000 ] - [ -0.1535525700000000, 0.1540613300000000, 0.0000000000000000 ] - [ -0.0514424400000000, 0.0182315600000000, 0.0000000000000000 ] - [ 0.0037998300000000, 0.0003969200000000, 0.0000000000000000 ] - [ 0.0027559400000000, 0.0007171100000000, 0.0000000000000000 ] - [ 0.0019889800000000, -0.0027350300000000, 0.0000000000000000 ] - [ 0.0051420300000000, -0.0045459000000000, 0.0000000000000000 ] - [ 0.0090915600000000, 0.0028786900000000, 0.0000000000000000 ] - [ 0.0070253100000000, 0.0046146400000000, 0.0000000000000000 ] - [ 0.0035593700000000, 0.0033330300000000, 0.0000000000000000 ] - [ 0.0113794100000000, -0.0092267300000000, 0.0000000000000000 ] - [ 0.0000305200000000, 0.0006468000000000, 0.0000000000000000 ] - [ -0.0029075000000000, 0.0046676900000000, 0.0000000000000000 ] - [ 0.0036649200000000, 0.0000073600000000, 0.0000000000000000 ] - [ -0.0043750000000000, 0.0018907800000000, 0.0000000000000000 ] - [ 0.0025479800000000, -0.0090543200000000, 0.0000000000000000 ] - [ -0.0137792600000000, 0.0066026200000000, 0.0000000000000000 ] - [ 0.0062789700000000, 0.0052171500000000, 0.0000000000000000 ] - [ 0.0053252200000000, 0.0048474800000000, 0.0000000000000000 ] - [ 0.0079949100000000, 0.0027010800000000, 0.0000000000000000 ] - [ 0.0101905000000000, -0.0073215900000000, 0.0000000000000000 ] - [ 0.0005390000000000, -0.0000642200000000, 0.0000000000000000 ] - [ -0.0004517900000000, 0.0003524500000000, 0.0000000000000000 ] - [ -0.0026724700000000, 0.0009759100000000, 0.0000000000000000 ] - [ 0.0054802100000000, 0.0038478600000000, 0.0000000000000000 ] - [ 0.0058839500000000, 0.0012713900000000, 0.0000000000000000 ] - [ 0.0033777300000000, 0.0005128500000000, 0.0000000000000000 ] - [ 0.0055549000000000, -0.0040012500000000, 0.0000000000000000 ] - [ 0.0038629300000000, 0.0026241200000000, 0.0000000000000000 ] - [ 0.0024399300000000, 0.0001587200000000, 0.0000000000000000 ] - [ 0.0044831600000000, 0.0020376300000000, 0.0000000000000000 ] - [ -0.0139962100000000, -0.0155637700000000, 0.0000000000000000 ] - [ -0.0187629200000000, 0.0226562100000000, 0.0000000000000000 ] - [ 0.0021904000000000, 0.0002983300000000, 0.0000000000000000 ] - [ 0.0029356600000000, -0.0004538800000000, 0.0000000000000000 ] - [ 0.0124514400000000, -0.0054515500000000, 0.0000000000000000 ] - [ -0.0050128300000000, 0.0035360800000000, 0.0000000000000000 ] - [ 0.0046242200000000, -0.0041906000000000, 0.0000000000000000 ] - [ 0.0012722800000000, -0.0006193700000000, 0.0000000000000000 ] - [ -0.0041865100000000, 0.0041291700000000, 0.0000000000000000 ] - [ -0.0056025500000000, 0.0034010400000000, 0.0000000000000000 ] - [ 0.0025860900000000, -0.0013315100000000, 0.0000000000000000 ] - [ 0.0016187000000000, -0.0005030100000000, 0.0000000000000000 ] - [ -0.0016877000000000, -0.0003307100000000, 0.0000000000000000 ] - [ -0.0041112400000000, -0.0050956300000000, 0.0000000000000000 ] - [ 0.0006819200000000, -0.0024966800000000, 0.0000000000000000 ] - [ 0.0122415000000000, -0.0149975600000000, 0.0000000000000000 ] - [ 0.0009573500000000, 0.0007813800000000, 0.0000000000000000 ] - [ 0.0004844100000000, 0.0027352700000000, 0.0000000000000000 ] - [ -0.0680364700000000, -0.0552596200000000, 0.0000000000000000 ] - [ -0.0008762200000000, 0.0003267300000000, 0.0000000000000000 ] - [ 0.0040494000000000, 0.0000099700000000, 0.0000000000000000 ] - [ 0.0038779500000000, -0.0021732700000000, 0.0000000000000000 ] - [ -0.0012526600000000, -0.0005230600000000, 0.0000000000000000 ] - [ 0.0030690400000000, 0.0013531300000000, 0.0000000000000000 ] - [ 0.0004928600000000, -0.0001893900000000, 0.0000000000000000 ] - [ 0.0025454400000000, 0.0023055800000000, 0.0000000000000000 ] - [ 0.0103373600000000, 0.0121644100000000, 0.0000000000000000 ] - [ -0.0021300700000000, 0.0014089100000000, 0.0000000000000000 ] - [ 0.0015372300000000, 0.0019399500000000, 0.0000000000000000 ] - [ -0.0007678700000000, 0.0007530900000000, 0.0000000000000000 ] - [ 0.0089581200000000, 0.0000138700000000, 0.0000000000000000 ] - [ 0.0092835100000000, 0.0058107600000000, 0.0000000000000000 ] - [ 0.0028086000000000, 0.0012630900000000, 0.0000000000000000 ] - [ -0.0025379100000000, -0.0010572500000000, 0.0000000000000000 ] - [ 0.0003360900000000, 0.0008768300000000, 0.0000000000000000 ] - [ -0.0041222000000000, -0.0039858900000000, 0.0000000000000000 ] - [ -0.0029741900000000, 0.0030558700000000, 0.0000000000000000 ] - [ -0.0279798000000000, -0.0241356800000000, 0.0000000000000000 ] - [ -0.0097638200000000, 0.0086764700000000, 0.0000000000000000 ] - [ -0.0005760600000000, 0.0016802300000000, 0.0000000000000000 ] - [ 0.0029419200000000, 0.0015129900000000, 0.0000000000000000 ] - [ 0.0024314400000000, -0.0010399400000000, 0.0000000000000000 ] - [ -0.0043990300000000, 0.0147613500000000, 0.0000000000000000 ] - [ -0.0007704000000000, -0.0000580400000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.1022044300000000, -0.4007598100000000, 0.0000000000000000 ] - [ -0.0003117700000000, 0.0126475000000000, 0.0000000000000000 ] - [ 0.0032639300000000, -0.0186019700000000, 0.0000000000000000 ] - [ 0.0342394500000000, 0.0323169300000000, 0.0000000000000000 ] - [ 0.0017776600000000, 0.0142465300000000, 0.0000000000000000 ] - [ 0.0058118600000000, -0.0046511000000000, 0.0000000000000000 ] - [ -0.0017648600000000, -0.0072422000000000, 0.0000000000000000 ] - [ -0.0597678800000000, 0.0284154200000000, 0.0000000000000000 ] - [ -0.0144017900000000, 0.0078769000000000, 0.0000000000000000 ] - [ -0.0028281600000000, -0.0073846000000000, 0.0000000000000000 ] - [ -0.0339413900000000, -0.0026082200000000, 0.0000000000000000 ] - [ 0.0112022600000000, 0.0065627700000000, 0.0000000000000000 ] - [ 0.0025497500000000, -0.0082744600000000, 0.0000000000000000 ] - [ 0.0015052000000000, 0.0016701200000000, 0.0000000000000000 ] - [ -0.0044978400000000, 0.0270207100000000, 0.0000000000000000 ] - [ 0.0040524300000000, 0.0073381300000000, 0.0000000000000000 ] - [ 0.0013909900000000, 0.0071857100000000, 0.0000000000000000 ] - [ 0.0020921400000000, -0.0373830300000000, 0.0000000000000000 ] - [ -0.0000131400000000, 0.0074535300000000, 0.0000000000000000 ] - [ 0.0031833700000000, 0.0052609200000000, 0.0000000000000000 ] - [ 0.0071538400000000, -0.0064118300000000, 0.0000000000000000 ] - [ 0.0032150500000000, 0.0140067200000000, 0.0000000000000000 ] - [ -0.0071538800000000, 0.0141272900000000, 0.0000000000000000 ] - [ -0.0041563000000000, 0.0069709800000000, 0.0000000000000000 ] - [ -0.0135562300000000, 0.0072840800000000, 0.0000000000000000 ] - [ -0.0051961500000000, 0.0175254300000000, 0.0000000000000000 ] - [ -0.0011368300000000, 0.0062290200000000, 0.0000000000000000 ] - [ 0.0126146900000000, 0.0075616300000000, 0.0000000000000000 ] - [ -0.0025189200000000, 0.0166665900000000, 0.0000000000000000 ] - [ 0.0000396000000000, 0.0277191800000000, 0.0000000000000000 ] - [ 0.0013140200000000, -0.0008392500000000, 0.0000000000000000 ] - [ 0.0683059900000000, 0.0397736700000000, 0.0000000000000000 ] - [ 0.0014389000000000, -0.0037346400000000, 0.0000000000000000 ] - [ -0.0011001100000000, 0.0009777300000000, 0.0000000000000000 ] - [ 0.0121556400000000, -0.0081237500000000, 0.0000000000000000 ] - [ 0.0090405200000000, 0.0037393000000000, 0.0000000000000000 ] - [ -0.0043768200000000, 0.0051363000000000, 0.0000000000000000 ] - [ -0.0003336700000000, -0.0000071700000000, 0.0000000000000000 ] - [ -0.1472499500000000, 0.1934337200000000, 0.0000000000000000 ] - [ -0.0226174800000000, 0.0440810900000000, 0.0000000000000000 ] - [ 0.0002024600000000, 0.0018571800000000, 0.0000000000000000 ] - [ 0.0061352300000000, 0.0054168800000000, 0.0000000000000000 ] - [ 0.0030194300000000, -0.0021089600000000, 0.0000000000000000 ] - [ 0.0064871400000000, -0.0056514700000000, 0.0000000000000000 ] - [ 0.0123285300000000, 0.0179580300000000, 0.0000000000000000 ] - [ -0.0074891900000000, -0.0023502000000000, 0.0000000000000000 ] - [ -0.0036503300000000, -0.0036335100000000, 0.0000000000000000 ] - [ -0.0034026800000000, 0.0052981000000000, 0.0000000000000000 ] - [ -0.0002491800000000, -0.0015312700000000, 0.0000000000000000 ] - [ -0.0006365600000000, -0.0029902500000000, 0.0000000000000000 ] - [ 0.0004150900000000, 0.0019810300000000, 0.0000000000000000 ] - [ -0.0015095500000000, -0.0057942100000000, 0.0000000000000000 ] - [ 0.0085189400000000, -0.0060071100000000, 0.0000000000000000 ] - [ -0.0075277000000000, 0.0011223000000000, 0.0000000000000000 ] - [ -0.0063955700000000, -0.0053119400000000, 0.0000000000000000 ] - [ -0.0014621800000000, -0.0004515000000000, 0.0000000000000000 ] - [ -0.0112610400000000, 0.0014708200000000, 0.0000000000000000 ] - [ -0.0035136300000000, 0.0041193200000000, 0.0000000000000000 ] - [ -0.0022434700000000, -0.0037034800000000, 0.0000000000000000 ] - [ -0.0049341200000000, -0.0065727300000000, 0.0000000000000000 ] - [ -0.0022889000000000, -0.0053514400000000, 0.0000000000000000 ] - [ 0.0019802400000000, 0.0035978400000000, 0.0000000000000000 ] - [ -0.0064904900000000, 0.0064513200000000, 0.0000000000000000 ] - [ 0.0047459300000000, 0.0041135000000000, 0.0000000000000000 ] - [ -0.0037507400000000, 0.0043650200000000, 0.0000000000000000 ] - [ -0.0006606500000000, -0.0015590600000000, 0.0000000000000000 ] - [ -0.0003272200000000, -0.0006367300000000, 0.0000000000000000 ] - [ -0.0028341400000000, 0.0025865700000000, 0.0000000000000000 ] - [ -0.0013869800000000, -0.0124825200000000, 0.0000000000000000 ] - [ 0.0084981500000000, -0.0134655500000000, 0.0000000000000000 ] - [ -0.0007323300000000, -0.0012235400000000, 0.0000000000000000 ] - [ 0.0010351500000000, 0.0008954500000000, 0.0000000000000000 ] - [ -0.0297585400000000, 0.0218954900000000, 0.0000000000000000 ] - [ 0.0103463700000000, -0.0129828100000000, 0.0000000000000000 ] - [ 0.0044179600000000, -0.0043092200000000, 0.0000000000000000 ] - [ 0.0004606100000000, -0.0018567100000000, 0.0000000000000000 ] - [ 0.0064505500000000, -0.0082196000000000, 0.0000000000000000 ] - [ 0.0084099200000000, -0.0124059600000000, 0.0000000000000000 ] - [ 0.0025451200000000, -0.0029853300000000, 0.0000000000000000 ] - [ 0.0003175200000000, -0.0017563500000000, 0.0000000000000000 ] - [ -0.0005171800000000, -0.0037251600000000, 0.0000000000000000 ] - [ 0.0001564100000000, -0.0034774100000000, 0.0000000000000000 ] - [ 0.0014623500000000, -0.0019485400000000, 0.0000000000000000 ] - [ 0.0151761800000000, -0.0143111900000000, 0.0000000000000000 ] - [ -0.0021803300000000, -0.0027193600000000, 0.0000000000000000 ] - [ -0.0013529800000000, -0.0032635200000000, 0.0000000000000000 ] - [ 0.0445077000000000, 0.0789206500000000, 0.0000000000000000 ] - [ 0.0060557900000000, -0.0083469300000000, 0.0000000000000000 ] - [ -0.0021330500000000, 0.0065206700000000, 0.0000000000000000 ] - [ -0.0060723800000000, 0.0043921200000000, 0.0000000000000000 ] - [ -0.0006386200000000, -0.0042972300000000, 0.0000000000000000 ] - [ -0.0006721600000000, 0.0003042500000000, 0.0000000000000000 ] - [ 0.0000588600000000, -0.0008495400000000, 0.0000000000000000 ] - [ -0.0026184500000000, -0.0035871000000000, 0.0000000000000000 ] - [ -0.0142819300000000, -0.0139435900000000, 0.0000000000000000 ] - [ -0.0080186800000000, -0.0106516000000000, 0.0000000000000000 ] - [ -0.0013725800000000, -0.0032742700000000, 0.0000000000000000 ] - [ 0.0042184800000000, -0.0053887100000000, 0.0000000000000000 ] - [ 0.0274044500000000, 0.0234110900000000, 0.0000000000000000 ] - [ -0.0004443900000000, 0.0035668100000000, 0.0000000000000000 ] - [ -0.0011415100000000, 0.0009407900000000, 0.0000000000000000 ] - [ -0.0044889600000000, -0.0074554700000000, 0.0000000000000000 ] - [ -0.0013346600000000, -0.0030785900000000, 0.0000000000000000 ] - [ -0.0003430700000000, -0.0022827900000000, 0.0000000000000000 ] - [ 0.0051609700000000, -0.0075939400000000, 0.0000000000000000 ] - [ -0.0006534100000000, -0.0076424900000000, 0.0000000000000000 ] - [ 0.0001386000000000, -0.0071507400000000, 0.0000000000000000 ] - [ -0.0014722600000000, -0.0029884800000000, 0.0000000000000000 ] - [ 0.0002771300000000, -0.0005240700000000, 0.0000000000000000 ] - [ -0.0003124100000000, -0.0006322300000000, 0.0000000000000000 ] - [ -0.0015097900000000, -0.0108942400000000, 0.0000000000000000 ] - [ 0.0015042400000000, -0.0030224700000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0900966300000000, 0.3961782500000000, 0.0000000000000000 ] - [ 0.0003236200000000, -0.0109414400000000, 0.0000000000000000 ] - [ -0.0032324200000000, 0.0184587700000000, 0.0000000000000000 ] - [ -0.0341749900000000, -0.0321278500000000, 0.0000000000000000 ] - [ -0.0015225800000000, -0.0142614400000000, 0.0000000000000000 ] - [ -0.0056021600000000, 0.0046611400000000, 0.0000000000000000 ] - [ 0.0015356000000000, 0.0072518300000000, 0.0000000000000000 ] - [ 0.0580134800000000, -0.0284678100000000, 0.0000000000000000 ] - [ 0.0144204700000000, -0.0095915900000000, 0.0000000000000000 ] - [ 0.0045801200000000, 0.0073462900000000, 0.0000000000000000 ] - [ 0.0343099500000000, 0.0028496600000000, 0.0000000000000000 ] - [ -0.0111972700000000, -0.0063718600000000, 0.0000000000000000 ] - [ -0.0025310300000000, 0.0085365300000000, 0.0000000000000000 ] - [ -0.0014916800000000, -0.0019355000000000, 0.0000000000000000 ] - [ 0.0045324800000000, -0.0272416700000000, 0.0000000000000000 ] - [ -0.0042973500000000, -0.0073485100000000, 0.0000000000000000 ] - [ -0.0013803800000000, -0.0069372600000000, 0.0000000000000000 ] - [ -0.0020151000000000, 0.0390646600000000, 0.0000000000000000 ] - [ 0.0000028300000000, -0.0076529700000000, 0.0000000000000000 ] - [ -0.0033835400000000, -0.0052564600000000, 0.0000000000000000 ] - [ -0.0068800600000000, 0.0064297900000000, 0.0000000000000000 ] - [ -0.0030473800000000, -0.0140309200000000, 0.0000000000000000 ] - [ 0.0068804900000000, -0.0141220400000000, 0.0000000000000000 ] - [ 0.0024512700000000, -0.0069742600000000, 0.0000000000000000 ] - [ 0.0135464800000000, -0.0090255100000000, 0.0000000000000000 ] - [ 0.0069273300000000, -0.0175466600000000, 0.0000000000000000 ] - [ 0.0013926500000000, -0.0062366400000000, 0.0000000000000000 ] - [ -0.0126502900000000, -0.0073748800000000, 0.0000000000000000 ] - [ 0.0025030300000000, -0.0164289400000000, 0.0000000000000000 ] - [ -0.0001183000000000, -0.0280656800000000, 0.0000000000000000 ] - [ -0.0013002200000000, 0.0005941900000000, 0.0000000000000000 ] - [ -0.0687877200000000, -0.0400316600000000, 0.0000000000000000 ] - [ -0.0018115200000000, 0.0031373500000000, 0.0000000000000000 ] - [ 0.0006305600000000, -0.0014381500000000, 0.0000000000000000 ] - [ -0.0117412000000000, 0.0086740900000000, 0.0000000000000000 ] - [ -0.0086645400000000, -0.0043188200000000, 0.0000000000000000 ] - [ 0.0048318800000000, -0.0046679500000000, 0.0000000000000000 ] - [ -0.0002864000000000, -0.0003393600000000, 0.0000000000000000 ] - [ 0.1390455200000000, -0.1854937400000000, 0.0000000000000000 ] - [ 0.0220755200000000, -0.0435154300000000, 0.0000000000000000 ] - [ -0.0001247200000000, -0.0019155800000000, 0.0000000000000000 ] - [ -0.0063666900000000, -0.0051620800000000, 0.0000000000000000 ] - [ -0.0030263400000000, 0.0011473800000000, 0.0000000000000000 ] - [ -0.0062506300000000, 0.0059024000000000, 0.0000000000000000 ] - [ -0.0123601400000000, -0.0177763100000000, 0.0000000000000000 ] - [ 0.0074997800000000, 0.0022162100000000, 0.0000000000000000 ] - [ 0.0031846300000000, 0.0040951100000000, 0.0000000000000000 ] - [ 0.0031085100000000, -0.0054858700000000, 0.0000000000000000 ] - [ 0.0002477200000000, 0.0024974000000000, 0.0000000000000000 ] - [ 0.0006765500000000, 0.0027216700000000, 0.0000000000000000 ] - [ -0.0003662200000000, -0.0020694300000000, 0.0000000000000000 ] - [ 0.0014237300000000, 0.0058484700000000, 0.0000000000000000 ] - [ -0.0094121300000000, 0.0059649400000000, 0.0000000000000000 ] - [ 0.0087647600000000, -0.0002927200000000, 0.0000000000000000 ] - [ 0.0063488800000000, 0.0050419300000000, 0.0000000000000000 ] - [ 0.0011823900000000, 0.0003987300000000, 0.0000000000000000 ] - [ 0.0113899300000000, -0.0014820000000000, 0.0000000000000000 ] - [ 0.0034621200000000, -0.0038429500000000, 0.0000000000000000 ] - [ 0.0024842200000000, 0.0034594600000000, 0.0000000000000000 ] - [ 0.0053028600000000, 0.0059745400000000, 0.0000000000000000 ] - [ 0.0022324500000000, 0.0054370100000000, 0.0000000000000000 ] - [ -0.0025979100000000, -0.0032446800000000, 0.0000000000000000 ] - [ 0.0064756900000000, -0.0063178100000000, 0.0000000000000000 ] - [ -0.0051253900000000, -0.0035208900000000, 0.0000000000000000 ] - [ 0.0034699400000000, -0.0043142200000000, 0.0000000000000000 ] - [ 0.0011243000000000, 0.0010976500000000, 0.0000000000000000 ] - [ 0.0004071500000000, 0.0006947400000000, 0.0000000000000000 ] - [ 0.0026956900000000, -0.0025892200000000, 0.0000000000000000 ] - [ 0.0020156200000000, 0.0121069100000000, 0.0000000000000000 ] - [ -0.0082854100000000, 0.0134526500000000, 0.0000000000000000 ] - [ 0.0007832300000000, 0.0013101600000000, 0.0000000000000000 ] - [ -0.0000755200000000, -0.0008931400000000, 0.0000000000000000 ] - [ 0.0293182700000000, -0.0223706700000000, 0.0000000000000000 ] - [ -0.0108079100000000, 0.0125126500000000, 0.0000000000000000 ] - [ -0.0040608000000000, 0.0049202600000000, 0.0000000000000000 ] - [ -0.0005176100000000, 0.0017752400000000, 0.0000000000000000 ] - [ -0.0059905100000000, 0.0086852600000000, 0.0000000000000000 ] - [ -0.0090119600000000, 0.0120485600000000, 0.0000000000000000 ] - [ -0.0019467700000000, 0.0033557800000000, 0.0000000000000000 ] - [ -0.0004039200000000, 0.0017039200000000, 0.0000000000000000 ] - [ 0.0006038000000000, 0.0036708000000000, 0.0000000000000000 ] - [ -0.0004096000000000, 0.0037222800000000, 0.0000000000000000 ] - [ -0.0014583200000000, 0.0009874900000000, 0.0000000000000000 ] - [ -0.0149655100000000, 0.0145707400000000, 0.0000000000000000 ] - [ 0.0022335900000000, 0.0029982600000000, 0.0000000000000000 ] - [ 0.0013598500000000, 0.0031308700000000, 0.0000000000000000 ] - [ -0.0492269500000000, -0.0822436600000000, 0.0000000000000000 ] - [ -0.0063095800000000, 0.0081155600000000, 0.0000000000000000 ] - [ 0.0021371700000000, -0.0055670100000000, 0.0000000000000000 ] - [ 0.0061269400000000, -0.0046714800000000, 0.0000000000000000 ] - [ 0.0006990500000000, 0.0042152700000000, 0.0000000000000000 ] - [ 0.0005811300000000, -0.0002550800000000, 0.0000000000000000 ] - [ -0.0010261600000000, 0.0008506200000000, 0.0000000000000000 ] - [ 0.0028913100000000, 0.0036353800000000, 0.0000000000000000 ] - [ 0.0142501000000000, 0.0136917200000000, 0.0000000000000000 ] - [ 0.0077817200000000, 0.0106428300000000, 0.0000000000000000 ] - [ 0.0015054700000000, 0.0032731600000000, 0.0000000000000000 ] - [ -0.0042599900000000, 0.0056594800000000, 0.0000000000000000 ] - [ -0.0272366100000000, -0.0236752200000000, 0.0000000000000000 ] - [ 0.0007733200000000, -0.0041965900000000, 0.0000000000000000 ] - [ 0.0010819500000000, -0.0008628800000000, 0.0000000000000000 ] - [ 0.0038936600000000, 0.0078366700000000, 0.0000000000000000 ] - [ 0.0013403100000000, 0.0032134000000000, 0.0000000000000000 ] - [ -0.0000082900000000, 0.0028926900000000, 0.0000000000000000 ] - [ -0.0054332000000000, 0.0076424100000000, 0.0000000000000000 ] - [ 0.0010858700000000, 0.0071826500000000, 0.0000000000000000 ] - [ -0.0000258900000000, 0.0072377000000000, 0.0000000000000000 ] - [ 0.0013500300000000, 0.0029889900000000, 0.0000000000000000 ] - [ 0.0003196100000000, 0.0001533400000000, 0.0000000000000000 ] - [ 0.0005876600000000, 0.0005806600000000, 0.0000000000000000 ] - [ 0.0016428500000000, 0.0110200500000000, 0.0000000000000000 ] - [ -0.0005436100000000, 0.0030298800000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0010834700000000, 0.0009627300000000, -0.0900874300000000 ] - [ -0.0000010200000000, 0.0008107800000000, -0.0000001700000000 ] - [ 0.0001610100000000, 0.0000122800000000, -0.0000059800000000 ] - [ -0.0001589500000000, 0.0000850200000000, -0.0014245200000000 ] - [ 0.0000669300000000, -0.0000144900000000, 0.0000033700000000 ] - [ 0.0001535300000000, 0.0000387600000000, -0.0000038700000000 ] - [ 0.0000059600000000, -0.0000125700000000, 0.0000036500000000 ] - [ -0.0005208500000000, -0.0003817200000000, -0.0016224000000000 ] - [ 0.0001474700000000, -0.0010213600000000, -0.0000544200000000 ] - [ 0.0009792200000000, -0.0000157200000000, -0.0000002100000000 ] - [ 0.0006992500000000, -0.0007397400000000, 0.0029429200000000 ] - [ 0.0000035500000000, 0.0001446000000000, -0.0000044500000000 ] - [ 0.0000952300000000, 0.0001394900000000, -0.0000002300000000 ] - [ 0.0000660300000000, -0.0001224600000000, 0.0000009900000000 ] - [ -0.0001427600000000, -0.0001902900000000, -0.0000240400000000 ] - [ -0.0000891400000000, 0.0000007800000000, 0.0000000300000000 ] - [ 0.0000454300000000, 0.0001094900000000, 0.0000004700000000 ] - [ 0.0001885300000000, 0.0009084800000000, -0.0000574800000000 ] - [ 0.0000051600000000, -0.0001081900000000, -0.0000004300000000 ] - [ -0.0000726900000000, 0.0000044100000000, 0.0000019300000000 ] - [ 0.0002263700000000, 0.0000263700000000, -0.0000007500000000 ] - [ 0.0000718700000000, 0.0000005900000000, 0.0000107200000000 ] - [ -0.0001483700000000, -0.0000548400000000, -0.0000006800000000 ] - [ -0.0007903200000000, -0.0000577700000000, 0.0000005600000000 ] - [ 0.0001012600000000, -0.0009690700000000, -0.0000050000000000 ] - [ 0.0008089000000000, -0.0000922300000000, -0.0000005000000000 ] - [ 0.0001784400000000, -0.0000261100000000, 0.0000000100000000 ] - [ 0.0000386400000000, 0.0001425400000000, 0.0000536700000000 ] - [ -0.0000465600000000, 0.0000868100000000, 0.0000048700000000 ] - [ -0.0002952700000000, -0.0002169900000000, 0.0002404600000000 ] - [ 0.0000769500000000, -0.0001354800000000, 0.0000056900000000 ] - [ 0.0001359000000000, 0.0003530700000000, -0.0016549500000000 ] - [ -0.0001968700000000, -0.0002890800000000, -0.0000002100000000 ] - [ -0.0002903200000000, -0.0001886100000000, -0.0000043800000000 ] - [ -0.0000639400000000, 0.0005073800000000, 0.0004390300000000 ] - [ -0.0002579200000000, 0.0001692100000000, 0.0022676900000000 ] - [ 0.0001857400000000, 0.0002640700000000, -0.0000002000000000 ] - [ -0.0003445800000000, -0.0001508700000000, 0.0000000600000000 ] - [ 0.0004037000000000, 0.0000939400000000, 0.0186108900000000 ] - [ 0.0004785900000000, -0.0002683300000000, 0.0753694900000000 ] - [ 0.0000100600000000, -0.0000400300000000, -0.0000006400000000 ] - [ -0.0001617400000000, 0.0001030000000000, 0.0000010900000000 ] - [ -0.0000290900000000, -0.0004545100000000, -0.0000230700000000 ] - [ 0.0000354200000000, 0.0001986200000000, 0.0000101800000000 ] - [ -0.0001679800000000, 0.0000409900000000, 0.0000662900000000 ] - [ -0.0000162300000000, -0.0000861300000000, 0.0000050900000000 ] - [ -0.0002476400000000, 0.0002236200000000, -0.0000000700000000 ] - [ -0.0002017600000000, -0.0000664300000000, 0.0000023700000000 ] - [ 0.0000013100000000, 0.0004889800000000, 0.0000001300000000 ] - [ 0.0000479800000000, -0.0001588600000000, 0.0000035400000000 ] - [ -0.0000038100000000, -0.0000529300000000, -0.0000027400000000 ] - [ -0.0000089400000000, 0.0000369000000000, 0.0000061800000000 ] - [ -0.0005626800000000, 0.0001185200000000, -0.0003833000000000 ] - [ -0.0000557600000000, -0.0002587400000000, -0.0038519700000000 ] - [ -0.0000413300000000, -0.0001529900000000, -0.0000000200000000 ] - [ -0.0001723100000000, -0.0000585200000000, 0.0000006900000000 ] - [ 0.0000543100000000, -0.0000416600000000, 0.0002158500000000 ] - [ -0.0000961600000000, 0.0001816600000000, -0.0000049700000000 ] - [ 0.0001326600000000, -0.0001029700000000, 0.0000000900000000 ] - [ 0.0002092400000000, -0.0002800300000000, -0.0000004200000000 ] - [ -0.0000011100000000, 0.0000561800000000, -0.0000019800000000 ] - [ -0.0003538500000000, 0.0001414100000000, -0.0000006800000000 ] - [ -0.0000095400000000, 0.0000233600000000, -0.0000462700000000 ] - [ -0.0002432800000000, 0.0002767300000000, 0.0000018200000000 ] - [ -0.0001654700000000, 0.0000353200000000, -0.0000033100000000 ] - [ 0.0002085500000000, -0.0002493200000000, -0.0000001200000000 ] - [ 0.0000259500000000, 0.0000293200000000, -0.0000019600000000 ] - [ -0.0000884500000000, -0.0000325900000000, 0.0000085800000000 ] - [ 0.0004019400000000, -0.0000502700000000, 0.0000705800000000 ] - [ 0.0002172300000000, -0.0001009200000000, 0.0002735500000000 ] - [ 0.0000146000000000, 0.0000453300000000, -0.0000006900000000 ] - [ 0.0004610400000000, 0.0000006200000000, 0.0000005800000000 ] - [ -0.0002285500000000, -0.0002947900000000, 0.0005602600000000 ] - [ -0.0002384500000000, -0.0002136900000000, 0.0000021200000000 ] - [ 0.0001362800000000, 0.0003470700000000, 0.0000023700000000 ] - [ -0.0000399100000000, -0.0000319600000000, 0.0000006800000000 ] - [ 0.0002433100000000, 0.0002332500000000, -0.0000031800000000 ] - [ -0.0002777700000000, -0.0001710200000000, -0.0000275000000000 ] - [ 0.0002700100000000, 0.0002108600000000, -0.0000006800000000 ] - [ -0.0000568100000000, -0.0000177700000000, 0.0000000500000000 ] - [ 0.0000570600000000, -0.0000141000000000, 0.0000002200000000 ] - [ -0.0000775900000000, 0.0001952800000000, 0.0000021000000000 ] - [ -0.0000097700000000, -0.0004620200000000, 0.0000019800000000 ] - [ -0.0000036600000000, 0.0002640900000000, 0.0000882200000000 ] - [ 0.0000214400000000, 0.0001395600000000, 0.0000005400000000 ] - [ 0.0000009400000000, -0.0000795600000000, -0.0000137500000000 ] - [ -0.0001220000000000, 0.0001800900000000, -0.0024942600000000 ] - [ -0.0001397800000000, -0.0000919300000000, 0.0000000200000000 ] - [ -0.0000246800000000, 0.0004712400000000, 0.0000198400000000 ] - [ 0.0000059800000000, -0.0001309300000000, -0.0000155100000000 ] - [ 0.0000399800000000, -0.0000248200000000, 0.0000004300000000 ] - [ -0.0000681700000000, 0.0000151900000000, -0.0000043200000000 ] - [ -0.0004925100000000, 0.0000058500000000, 0.0000008000000000 ] - [ 0.0001245800000000, 0.0000157000000000, -0.0000007900000000 ] - [ -0.0000719100000000, -0.0001984300000000, -0.0002334900000000 ] - [ -0.0000918800000000, -0.0000038100000000, 0.0000114400000000 ] - [ 0.0000551900000000, -0.0000064700000000, -0.0000061900000000 ] - [ -0.0000314300000000, 0.0001499600000000, -0.0000013500000000 ] - [ -0.0000056600000000, -0.0001920800000000, 0.0000970500000000 ] - [ 0.0001076500000000, -0.0003598300000000, 0.0000027600000000 ] - [ -0.0000496700000000, 0.0000286700000000, 0.0000004600000000 ] - [ -0.0002637600000000, 0.0002248200000000, -0.0000011400000000 ] - [ 0.0000009500000000, 0.0000675500000000, 0.0000008700000000 ] - [ -0.0001551400000000, 0.0003380300000000, 0.0000007700000000 ] - [ -0.0001301700000000, 0.0000219400000000, -0.0000048600000000 ] - [ 0.0004737700000000, 0.0000575200000000, -0.0000947200000000 ] - [ 0.0001289900000000, -0.0000260700000000, -0.0002420100000000 ] - [ -0.0000554000000000, -0.0000056400000000, -0.0000073300000000 ] - [ 0.0002757500000000, -0.0001981900000000, -0.0000004000000000 ] - [ 0.0001159200000000, -0.0000110700000000, -0.0000012000000000 ] - [ 0.0000728800000000, -0.0000636800000000, 0.0010137500000000 ] - [ 0.0004902100000000, 0.0000126300000000, -0.0000026300000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000367500000000, -0.0002007300000000, 0.0000000000000000 ] - [ -0.2832842800000000, -0.0029419300000000, 0.0000000000000000 ] - [ -0.0066886400000000, -0.0001120300000000, 0.0000000000000000 ] - [ -0.0063599600000000, 0.0044921700000000, 0.0000000000000000 ] - [ 0.0284478900000000, 0.0457324800000000, 0.0000000000000000 ] - [ -0.0061572000000000, -0.0045248900000000, 0.0000000000000000 ] - [ -0.0075037700000000, 0.0050693400000000, 0.0000000000000000 ] - [ 0.0080624300000000, 0.0043714800000000, 0.0000000000000000 ] - [ -0.0547258900000000, -0.0008130000000000, 0.0000000000000000 ] - [ 0.0097818300000000, -0.0043832500000000, 0.0000000000000000 ] - [ -0.0072283600000000, -0.0050872200000000, 0.0000000000000000 ] - [ -0.0280351900000000, 0.0000497900000000, 0.0000000000000000 ] - [ 0.0000359200000000, 0.0004356000000000, 0.0000000000000000 ] - [ 0.0077840100000000, -0.0145455900000000, 0.0000000000000000 ] - [ 0.0077749800000000, 0.0142770200000000, 0.0000000000000000 ] - [ 0.0284346500000000, -0.0460207800000000, 0.0000000000000000 ] - [ 0.0254308900000000, 0.0021941800000000, 0.0000000000000000 ] - [ 0.0088110000000000, 0.0008532900000000, 0.0000000000000000 ] - [ 0.0143461700000000, -0.0000935300000000, 0.0000000000000000 ] - [ 0.0107346800000000, 0.0043497800000000, 0.0000000000000000 ] - [ 0.0070963100000000, 0.0024380800000000, 0.0000000000000000 ] - [ 0.0109267400000000, -0.0043250000000000, 0.0000000000000000 ] - [ 0.0174046500000000, 0.0022421700000000, 0.0000000000000000 ] - [ 0.0346292800000000, 0.0803762500000000, 0.0000000000000000 ] - [ 0.0148241700000000, -0.0008607500000000, 0.0000000000000000 ] - [ 0.0361141900000000, -0.0801215100000000, 0.0000000000000000 ] - [ 0.0176672600000000, -0.0022301000000000, 0.0000000000000000 ] - [ 0.0092359200000000, 0.0001045500000000, 0.0000000000000000 ] - [ 0.0253464800000000, -0.0019126800000000, 0.0000000000000000 ] - [ 0.0080535200000000, -0.0136733300000000, 0.0000000000000000 ] - [ 0.0080490200000000, 0.0134294800000000, 0.0000000000000000 ] - [ 0.0068492000000000, -0.0024462800000000, 0.0000000000000000 ] - [ -0.0016652900000000, 0.0081521700000000, 0.0000000000000000 ] - [ 0.0055911800000000, -0.0069970700000000, 0.0000000000000000 ] - [ 0.0048574200000000, -0.0012795200000000, 0.0000000000000000 ] - [ 0.0006269400000000, 0.0008332400000000, 0.0000000000000000 ] - [ -0.0005283900000000, 0.0001251200000000, 0.0000000000000000 ] - [ -0.0066842500000000, 0.0074454500000000, 0.0000000000000000 ] - [ -0.0004703600000000, 0.0000991800000000, 0.0000000000000000 ] - [ 0.0002737900000000, 0.0001245900000000, 0.0000000000000000 ] - [ 0.0003647100000000, -0.0001730600000000, 0.0000000000000000 ] - [ -0.0052234000000000, -0.0026634000000000, 0.0000000000000000 ] - [ 0.0050090700000000, -0.0004859900000000, 0.0000000000000000 ] - [ 0.0370967700000000, -0.0403215100000000, 0.0000000000000000 ] - [ 0.0038751500000000, 0.0032095800000000, 0.0000000000000000 ] - [ 0.0029508500000000, -0.0000575000000000, 0.0000000000000000 ] - [ -0.0126895900000000, -0.0077175000000000, 0.0000000000000000 ] - [ -0.0045561500000000, 0.0036230200000000, 0.0000000000000000 ] - [ 0.0232344100000000, 0.0009826100000000, 0.0000000000000000 ] - [ 0.0193623100000000, -0.0196821000000000, 0.0000000000000000 ] - [ 0.0006877400000000, -0.0009117300000000, 0.0000000000000000 ] - [ -0.0054547600000000, -0.0079457300000000, 0.0000000000000000 ] - [ -0.0019850300000000, -0.0009372700000000, 0.0000000000000000 ] - [ 0.0003978300000000, -0.0003874100000000, 0.0000000000000000 ] - [ 0.0193652500000000, 0.0195113000000000, 0.0000000000000000 ] - [ 0.0045207600000000, 0.0061475300000000, 0.0000000000000000 ] - [ 0.0030060200000000, 0.0001692600000000, 0.0000000000000000 ] - [ 0.0038165400000000, -0.0029224800000000, 0.0000000000000000 ] - [ 0.0759971300000000, 0.0451532000000000, 0.0000000000000000 ] - [ -0.0020151500000000, -0.0097424600000000, 0.0000000000000000 ] - [ -0.0031313300000000, -0.0096562400000000, 0.0000000000000000 ] - [ -0.0010674300000000, 0.0002738700000000, 0.0000000000000000 ] - [ 0.0026038000000000, 0.0000713600000000, 0.0000000000000000 ] - [ 0.0045302700000000, 0.0019018200000000, 0.0000000000000000 ] - [ 0.0001120000000000, 0.0004527500000000, 0.0000000000000000 ] - [ -0.0045818700000000, -0.0013319300000000, 0.0000000000000000 ] - [ -0.0053717700000000, 0.0079966600000000, 0.0000000000000000 ] - [ 0.0028733900000000, -0.0001565900000000, 0.0000000000000000 ] - [ -0.0060810000000000, -0.0078067300000000, 0.0000000000000000 ] - [ 0.0047900500000000, -0.0061795400000000, 0.0000000000000000 ] - [ -0.0030820500000000, 0.0097493200000000, 0.0000000000000000 ] - [ -0.0010218500000000, 0.0009405200000000, 0.0000000000000000 ] - [ -0.0040628200000000, 0.0024216300000000, 0.0000000000000000 ] - [ -0.0050388200000000, 0.0008685400000000, 0.0000000000000000 ] - [ -0.0084460200000000, 0.0060770400000000, 0.0000000000000000 ] - [ -0.0056290700000000, 0.0024896800000000, 0.0000000000000000 ] - [ -0.0121871800000000, 0.0081888400000000, 0.0000000000000000 ] - [ -0.0133517200000000, 0.0147725500000000, 0.0000000000000000 ] - [ -0.0116842300000000, 0.0051479000000000, 0.0000000000000000 ] - [ -0.0069764300000000, 0.0020071000000000, 0.0000000000000000 ] - [ -0.0068873500000000, -0.0020673700000000, 0.0000000000000000 ] - [ 0.0369407500000000, 0.0405236000000000, 0.0000000000000000 ] - [ -0.0025511600000000, -0.0004810900000000, 0.0000000000000000 ] - [ -0.0049803900000000, 0.0029128500000000, 0.0000000000000000 ] - [ -0.0082746300000000, -0.0053215300000000, 0.0000000000000000 ] - [ -0.0044351000000000, -0.0000683300000000, 0.0000000000000000 ] - [ -0.0009898200000000, 0.0003428900000000, 0.0000000000000000 ] - [ 0.0721112700000000, -0.0410578500000000, 0.0000000000000000 ] - [ -0.0013193600000000, 0.0004829300000000, 0.0000000000000000 ] - [ -0.0042314200000000, 0.0022526700000000, 0.0000000000000000 ] - [ -0.0055677400000000, -0.0025764000000000, 0.0000000000000000 ] - [ -0.0027911500000000, -0.0022793200000000, 0.0000000000000000 ] - [ -0.0065859900000000, -0.0079562400000000, 0.0000000000000000 ] - [ -0.0094081000000000, -0.0078619100000000, 0.0000000000000000 ] - [ -0.0042809900000000, -0.0025282200000000, 0.0000000000000000 ] - [ -0.0025080600000000, -0.0005780000000000, 0.0000000000000000 ] - [ -0.0043204500000000, -0.0000352300000000, 0.0000000000000000 ] - [ -0.0083119700000000, 0.0055866100000000, 0.0000000000000000 ] - [ -0.0043075800000000, -0.0038620500000000, 0.0000000000000000 ] - [ -0.0036936000000000, -0.0030188100000000, 0.0000000000000000 ] - [ -0.0029444400000000, -0.0022083400000000, 0.0000000000000000 ] - [ -0.0122552000000000, -0.0048313200000000, 0.0000000000000000 ] - [ -0.0042337700000000, 0.0000647100000000, 0.0000000000000000 ] - [ -0.0088151300000000, -0.0054790000000000, 0.0000000000000000 ] - [ -0.0096555900000000, 0.0078889900000000, 0.0000000000000000 ] - [ 0.0060527200000000, 0.0065265600000000, 0.0000000000000000 ] - [ -0.0027123700000000, 0.0023356800000000, 0.0000000000000000 ] - [ -0.0044524900000000, 0.0000316700000000, 0.0000000000000000 ] - [ -0.0127571500000000, -0.0151192000000000, 0.0000000000000000 ] - [ -0.0022258400000000, 0.0005170800000000, 0.0000000000000000 ] - [ -0.0028931200000000, 0.0022972100000000, 0.0000000000000000 ] - [ -0.0055668800000000, 0.0078636200000000, 0.0000000000000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007737600000000, 0.0118835600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.2879676200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0107586300000000, 0.0000000000000000 ] - [ 0.0019203400000000, 0.0126944100000000, 0.0000000000000000 ] - [ 0.0587173600000000, 0.0232771000000000, 0.0000000000000000 ] - [ -0.0019203400000000, 0.0126944100000000, 0.0000000000000000 ] - [ 0.0035693300000000, 0.0145134500000000, 0.0000000000000000 ] - [ 0.0022504400000000, 0.0088961700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0287579100000000, 0.0000000000000000 ] - [ -0.0022504400000000, 0.0088961700000000, 0.0000000000000000 ] - [ -0.0035693300000000, 0.0145134500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0159763800000000, 0.0000000000000000 ] - [ -0.0007737600000000, 0.0118835600000000, 0.0000000000000000 ] - [ -0.0119030700000000, 0.0085809200000000, 0.0000000000000000 ] - [ 0.0119030700000000, 0.0085809200000000, 0.0000000000000000 ] - [ -0.0587173600000000, 0.0232771000000000, 0.0000000000000000 ] - [ -0.0035794600000000, -0.0379961900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0086923800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0050434500000000, 0.0000000000000000 ] - [ 0.0020463100000000, -0.0060522900000000, 0.0000000000000000 ] - [ 0.0034192900000000, 0.0055399300000000, 0.0000000000000000 ] - [ -0.0020463100000000, -0.0060522900000000, 0.0000000000000000 ] - [ 0.0059129900000000, -0.0069321500000000, 0.0000000000000000 ] - [ 0.0568264900000000, 0.0353241900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007656400000000, 0.0000000000000000 ] - [ -0.0568264900000000, 0.0353241900000000, 0.0000000000000000 ] - [ -0.0059129900000000, -0.0069321500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012450500000000, 0.0000000000000000 ] - [ 0.0035794600000000, -0.0379961900000000, 0.0000000000000000 ] - [ -0.0120885800000000, 0.0080107600000000, 0.0000000000000000 ] - [ 0.0120885800000000, 0.0080107600000000, 0.0000000000000000 ] - [ -0.0034192900000000, 0.0055399300000000, 0.0000000000000000 ] - [ 0.0114141800000000, 0.0071080000000000, 0.0000000000000000 ] - [ 0.0010028700000000, -0.0034924200000000, 0.0000000000000000 ] - [ 0.0085567800000000, -0.0104350300000000, 0.0000000000000000 ] - [ 0.0013817500000000, -0.0041395500000000, 0.0000000000000000 ] - [ 0.0024373900000000, -0.0037056900000000, 0.0000000000000000 ] - [ 0.0054865700000000, -0.0069353400000000, 0.0000000000000000 ] - [ 0.0028561100000000, -0.0045691600000000, 0.0000000000000000 ] - [ 0.0013917600000000, -0.0037759800000000, 0.0000000000000000 ] - [ -0.0013917600000000, -0.0037759800000000, 0.0000000000000000 ] - [ -0.0005466700000000, -0.0014161700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0053671400000000, 0.0000000000000000 ] - [ 0.0060683800000000, -0.0133311700000000, 0.0000000000000000 ] - [ -0.0042396800000000, -0.0056578900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0059974100000000, 0.0000000000000000 ] - [ 0.0303023500000000, 0.0292016500000000, 0.0000000000000000 ] - [ 0.0029066600000000, -0.0042628600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0434498900000000, 0.0000000000000000 ] - [ 0.0042369900000000, -0.0082679700000000, 0.0000000000000000 ] - [ -0.0013817500000000, -0.0041395500000000, 0.0000000000000000 ] - [ -0.0073653700000000, -0.0063179900000000, 0.0000000000000000 ] - [ -0.0010408500000000, -0.0015991100000000, 0.0000000000000000 ] - [ -0.0047777600000000, -0.0070602400000000, 0.0000000000000000 ] - [ -0.0042369900000000, -0.0082679700000000, 0.0000000000000000 ] - [ -0.0020399100000000, -0.0052509100000000, 0.0000000000000000 ] - [ -0.0006501100000000, -0.0051183400000000, 0.0000000000000000 ] - [ 0.0042396800000000, -0.0056578900000000, 0.0000000000000000 ] - [ 0.0562262600000000, 0.0618470200000000, 0.0000000000000000 ] - [ -0.0114141800000000, 0.0071080000000000, 0.0000000000000000 ] - [ -0.0065835300000000, -0.0059599700000000, 0.0000000000000000 ] - [ -0.0028561100000000, -0.0045691600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0044298600000000, 0.0000000000000000 ] - [ -0.0085567800000000, -0.0104350300000000, 0.0000000000000000 ] - [ 0.0047777600000000, -0.0070602400000000, 0.0000000000000000 ] - [ 0.0069709800000000, 0.0048200600000000, 0.0000000000000000 ] - [ 0.0073653700000000, -0.0063179900000000, 0.0000000000000000 ] - [ 0.0006501100000000, -0.0051183400000000, 0.0000000000000000 ] - [ -0.0054865700000000, -0.0069353400000000, 0.0000000000000000 ] - [ 0.0020399100000000, -0.0052509100000000, 0.0000000000000000 ] - [ 0.0065835300000000, -0.0059599700000000, 0.0000000000000000 ] - [ 0.0010408500000000, -0.0015991100000000, 0.0000000000000000 ] - [ 0.0027067000000000, -0.0035340500000000, 0.0000000000000000 ] - [ -0.0069709800000000, 0.0048200600000000, 0.0000000000000000 ] - [ 0.0010738800000000, 0.0002533400000000, 0.0000000000000000 ] - [ -0.0002065600000000, 0.0029587700000000, 0.0000000000000000 ] - [ -0.0303023500000000, 0.0292016500000000, 0.0000000000000000 ] - [ 0.0141759800000000, -0.0121716700000000, 0.0000000000000000 ] - [ -0.0230313300000000, 0.0229805100000000, 0.0000000000000000 ] - [ 0.0006067900000000, 0.0033189700000000, 0.0000000000000000 ] - [ -0.0006067900000000, 0.0033189700000000, 0.0000000000000000 ] - [ -0.0060683800000000, -0.0133311700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007023100000000, 0.0000000000000000 ] - [ 0.0005466700000000, -0.0014161700000000, 0.0000000000000000 ] - [ 0.0023318700000000, 0.0029903100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007050900000000, 0.0000000000000000 ] - [ -0.0024373900000000, -0.0037056900000000, 0.0000000000000000 ] - [ -0.0562262600000000, 0.0618470200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008552800000000, 0.0000000000000000 ] - [ -0.0006338100000000, -0.0000452600000000, 0.0000000000000000 ] - [ 0.0002065600000000, 0.0029587700000000, 0.0000000000000000 ] - [ -0.0032061700000000, -0.0017599800000000, 0.0000000000000000 ] - [ -0.0103166000000000, -0.0020642300000000, 0.0000000000000000 ] - [ 0.0029932200000000, 0.0045993500000000, 0.0000000000000000 ] - [ 0.0006338100000000, -0.0000452600000000, 0.0000000000000000 ] - [ 0.0046434900000000, 0.0043819800000000, 0.0000000000000000 ] - [ -0.0005706600000000, 0.0013253500000000, 0.0000000000000000 ] - [ -0.0023318700000000, 0.0029903100000000, 0.0000000000000000 ] - [ -0.0029066600000000, -0.0042628600000000, 0.0000000000000000 ] - [ -0.0027067000000000, -0.0035340500000000, 0.0000000000000000 ] - [ -0.0026231400000000, -0.0024477300000000, 0.0000000000000000 ] - [ 0.0230313300000000, 0.0229805100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020893100000000, 0.0000000000000000 ] - [ -0.0010738800000000, 0.0002533400000000, 0.0000000000000000 ] - [ -0.0029932200000000, 0.0045993500000000, 0.0000000000000000 ] - [ -0.0010028700000000, -0.0034924200000000, 0.0000000000000000 ] - [ 0.0032061700000000, -0.0017599800000000, 0.0000000000000000 ] - [ 0.0005706600000000, 0.0013253500000000, 0.0000000000000000 ] - [ -0.0141759800000000, -0.0121716700000000, 0.0000000000000000 ] - [ -0.0046434900000000, 0.0043819800000000, 0.0000000000000000 ] - [ 0.0026231400000000, -0.0024477300000000, 0.0000000000000000 ] - [ 0.0103166000000000, -0.0020642300000000, 0.0000000000000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007869900000000, -0.0116965100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.2859733500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0110338800000000, 0.0000000000000000 ] - [ -0.0021467100000000, -0.0127721200000000, 0.0000000000000000 ] - [ -0.0590561400000000, -0.0236456800000000, 0.0000000000000000 ] - [ 0.0021467100000000, -0.0127721200000000, 0.0000000000000000 ] - [ -0.0038460200000000, -0.0145984600000000, 0.0000000000000000 ] - [ -0.0039939700000000, -0.0089493300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0305891000000000, 0.0000000000000000 ] - [ 0.0039939700000000, -0.0089493300000000, 0.0000000000000000 ] - [ 0.0038460200000000, -0.0145984600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0159018500000000, 0.0000000000000000 ] - [ 0.0007869900000000, -0.0116965100000000, 0.0000000000000000 ] - [ 0.0119743800000000, -0.0088966800000000, 0.0000000000000000 ] - [ -0.0119743800000000, -0.0088966800000000, 0.0000000000000000 ] - [ 0.0590561400000000, -0.0236456800000000, 0.0000000000000000 ] - [ 0.0036961200000000, 0.0384585800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0070128400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0048654600000000, 0.0000000000000000 ] - [ -0.0022649600000000, 0.0060932400000000, 0.0000000000000000 ] - [ -0.0031806200000000, -0.0055638800000000, 0.0000000000000000 ] - [ 0.0022649600000000, 0.0060932400000000, 0.0000000000000000 ] - [ -0.0062186900000000, 0.0069612000000000, 0.0000000000000000 ] - [ -0.0585769700000000, -0.0354170000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0025112600000000, 0.0000000000000000 ] - [ 0.0585769700000000, -0.0354170000000000, 0.0000000000000000 ] - [ 0.0062186900000000, 0.0069612000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014671800000000, 0.0000000000000000 ] - [ -0.0036961200000000, 0.0384585800000000, 0.0000000000000000 ] - [ 0.0121587300000000, -0.0083057700000000, 0.0000000000000000 ] - [ -0.0121587300000000, -0.0083057700000000, 0.0000000000000000 ] - [ 0.0031806200000000, -0.0055638800000000, 0.0000000000000000 ] - [ -0.0107561500000000, -0.0086654600000000, 0.0000000000000000 ] - [ -0.0014748900000000, 0.0030465600000000, 0.0000000000000000 ] - [ -0.0082411500000000, 0.0110904400000000, 0.0000000000000000 ] - [ -0.0014476400000000, 0.0040833000000000, 0.0000000000000000 ] - [ -0.0019879700000000, 0.0041914100000000, 0.0000000000000000 ] - [ -0.0061184500000000, 0.0066040100000000, 0.0000000000000000 ] - [ -0.0022688500000000, 0.0049643200000000, 0.0000000000000000 ] - [ -0.0014834600000000, 0.0037425600000000, 0.0000000000000000 ] - [ 0.0014834600000000, 0.0037425600000000, 0.0000000000000000 ] - [ 0.0003072000000000, 0.0016752000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0044248700000000, 0.0000000000000000 ] - [ -0.0059594000000000, 0.0136563100000000, 0.0000000000000000 ] - [ 0.0043056600000000, 0.0059662400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0059093300000000, 0.0000000000000000 ] - [ -0.0310059200000000, -0.0288862000000000, 0.0000000000000000 ] - [ -0.0031707200000000, 0.0040420800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0415858100000000, 0.0000000000000000 ] - [ -0.0042211800000000, 0.0080746700000000, 0.0000000000000000 ] - [ 0.0014476400000000, 0.0040833000000000, 0.0000000000000000 ] - [ 0.0073014800000000, 0.0063871500000000, 0.0000000000000000 ] - [ 0.0000798700000000, 0.0016085800000000, 0.0000000000000000 ] - [ 0.0050831500000000, 0.0071447300000000, 0.0000000000000000 ] - [ 0.0042211800000000, 0.0080746700000000, 0.0000000000000000 ] - [ 0.0017719100000000, 0.0052399600000000, 0.0000000000000000 ] - [ 0.0007863300000000, 0.0051530600000000, 0.0000000000000000 ] - [ -0.0043056600000000, 0.0059662400000000, 0.0000000000000000 ] - [ -0.0521462700000000, -0.0593372300000000, 0.0000000000000000 ] - [ 0.0107561500000000, -0.0086654600000000, 0.0000000000000000 ] - [ 0.0065652400000000, 0.0060817500000000, 0.0000000000000000 ] - [ 0.0022688500000000, 0.0049643200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0045892700000000, 0.0000000000000000 ] - [ 0.0082411500000000, 0.0110904400000000, 0.0000000000000000 ] - [ -0.0050831500000000, 0.0071447300000000, 0.0000000000000000 ] - [ -0.0065453700000000, -0.0053034900000000, 0.0000000000000000 ] - [ -0.0073014800000000, 0.0063871500000000, 0.0000000000000000 ] - [ -0.0007863300000000, 0.0051530600000000, 0.0000000000000000 ] - [ 0.0061184500000000, 0.0066040100000000, 0.0000000000000000 ] - [ -0.0017719100000000, 0.0052399600000000, 0.0000000000000000 ] - [ -0.0065652400000000, 0.0060817500000000, 0.0000000000000000 ] - [ -0.0000798700000000, 0.0016085800000000, 0.0000000000000000 ] - [ -0.0030873600000000, 0.0029493100000000, 0.0000000000000000 ] - [ 0.0065453700000000, -0.0053034900000000, 0.0000000000000000 ] - [ -0.0007186700000000, 0.0003525400000000, 0.0000000000000000 ] - [ 0.0001479400000000, -0.0030622100000000, 0.0000000000000000 ] - [ 0.0310059200000000, -0.0288862000000000, 0.0000000000000000 ] - [ -0.0148512400000000, 0.0118689700000000, 0.0000000000000000 ] - [ 0.0236651300000000, -0.0226990200000000, 0.0000000000000000 ] - [ -0.0007003600000000, -0.0033970600000000, 0.0000000000000000 ] - [ 0.0007003600000000, -0.0033970600000000, 0.0000000000000000 ] - [ 0.0059594000000000, 0.0136563100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002597500000000, 0.0000000000000000 ] - [ -0.0003072000000000, 0.0016752000000000, 0.0000000000000000 ] - [ -0.0023053000000000, -0.0027337500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008389500000000, 0.0000000000000000 ] - [ 0.0019879700000000, 0.0041914100000000, 0.0000000000000000 ] - [ 0.0521462700000000, -0.0593372300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018267900000000, 0.0000000000000000 ] - [ 0.0006815000000000, -0.0002324300000000, 0.0000000000000000 ] - [ -0.0001479400000000, -0.0030622100000000, 0.0000000000000000 ] - [ 0.0031439400000000, 0.0018260200000000, 0.0000000000000000 ] - [ 0.0093893600000000, 0.0020509200000000, 0.0000000000000000 ] - [ -0.0027432700000000, -0.0045835100000000, 0.0000000000000000 ] - [ -0.0006815000000000, -0.0002324300000000, 0.0000000000000000 ] - [ -0.0049448700000000, -0.0044533000000000, 0.0000000000000000 ] - [ 0.0007019400000000, -0.0013342500000000, 0.0000000000000000 ] - [ 0.0023053000000000, -0.0027337500000000, 0.0000000000000000 ] - [ 0.0031707200000000, 0.0040420800000000, 0.0000000000000000 ] - [ 0.0030873600000000, 0.0029493100000000, 0.0000000000000000 ] - [ 0.0025831200000000, 0.0025454700000000, 0.0000000000000000 ] - [ -0.0236651300000000, -0.0226990200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019732200000000, 0.0000000000000000 ] - [ 0.0007186700000000, 0.0003525400000000, 0.0000000000000000 ] - [ 0.0027432700000000, -0.0045835100000000, 0.0000000000000000 ] - [ 0.0014748900000000, 0.0030465600000000, 0.0000000000000000 ] - [ -0.0031439400000000, 0.0018260200000000, 0.0000000000000000 ] - [ -0.0007019400000000, -0.0013342500000000, 0.0000000000000000 ] - [ 0.0148512400000000, 0.0118689700000000, 0.0000000000000000 ] - [ 0.0049448700000000, -0.0044533000000000, 0.0000000000000000 ] - [ -0.0025831200000000, 0.0025454700000000, 0.0000000000000000 ] - [ -0.0093893600000000, 0.0020509200000000, 0.0000000000000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000024700000000, 0.0000658200000000, -0.0000002500000000 ] - [ 0.0000000000000000, 0.0012340300000000, 0.0087635700000000 ] - [ 0.0000000000000000, -0.0001528900000000, 0.0000008200000000 ] - [ -0.0001072000000000, -0.0000649100000000, 0.0000005900000000 ] - [ -0.0000671300000000, -0.0000553900000000, -0.0016227300000000 ] - [ 0.0001072000000000, -0.0000649100000000, 0.0000005900000000 ] - [ -0.0001428700000000, -0.0000718000000000, -0.0000001000000000 ] - [ -0.0008734200000000, -0.0000464300000000, 0.0000013100000000 ] - [ 0.0000000000000000, -0.0009909500000000, -0.0000466300000000 ] - [ 0.0008734200000000, -0.0000464300000000, 0.0000013100000000 ] - [ 0.0001428700000000, -0.0000718000000000, -0.0000001000000000 ] - [ 0.0000000000000000, 0.0000098100000000, -0.0000583300000000 ] - [ 0.0000024700000000, 0.0000658200000000, -0.0000002500000000 ] - [ 0.0000616000000000, -0.0001731900000000, -0.0000544200000000 ] - [ -0.0000616000000000, -0.0001731900000000, -0.0000544200000000 ] - [ 0.0000671300000000, -0.0000553900000000, -0.0016227300000000 ] - [ 0.0000265500000000, 0.0003067300000000, -0.0000573700000000 ] - [ 0.0000000000000000, 0.0008156900000000, 0.0000016300000000 ] - [ 0.0000000000000000, -0.0000729800000000, 0.0000020900000000 ] - [ -0.0001098100000000, 0.0000306600000000, 0.0000005000000000 ] - [ 0.0001096500000000, -0.0000315000000000, 0.0000005400000000 ] - [ 0.0001098100000000, 0.0000306600000000, 0.0000005000000000 ] - [ -0.0001583500000000, 0.0000395700000000, -0.0000004000000000 ] - [ -0.0011542000000000, -0.0001977300000000, -0.0006500700000000 ] - [ 0.0000000000000000, -0.0008635800000000, 0.0000003700000000 ] - [ 0.0011542000000000, -0.0001977300000000, -0.0006500700000000 ] - [ 0.0001583500000000, 0.0000395700000000, -0.0000004000000000 ] - [ 0.0000000000000000, 0.0001049400000000, -0.0000002800000000 ] - [ -0.0000265500000000, 0.0003067300000000, -0.0000573700000000 ] - [ 0.0000613800000000, -0.0001697800000000, -0.0000050300000000 ] - [ -0.0000613800000000, -0.0001697800000000, -0.0000050300000000 ] - [ -0.0001096500000000, -0.0000315000000000, 0.0000005400000000 ] - [ -0.0004933400000000, -0.0000191900000000, -0.0044842200000000 ] - [ -0.0002406200000000, -0.0002150700000000, 0.0000001800000000 ] - [ 0.0001408700000000, 0.0003543600000000, 0.0000019700000000 ] - [ -0.0000348900000000, -0.0000218700000000, -0.0000006300000000 ] - [ 0.0002209100000000, 0.0002533400000000, -0.0000001400000000 ] - [ -0.0003332600000000, -0.0001453200000000, 0.0000134500000000 ] - [ 0.0002887400000000, 0.0002073600000000, -0.0000002100000000 ] - [ -0.0000502200000000, -0.0000083700000000, 0.0000007600000000 ] - [ 0.0000502200000000, -0.0000083700000000, 0.0000007600000000 ] - [ -0.0001211300000000, 0.0001307300000000, -0.0000002800000000 ] - [ 0.0000000000000000, -0.0004602400000000, -0.0000078600000000 ] - [ 0.0000737500000000, 0.0001932400000000, 0.0001987100000000 ] - [ 0.0000478600000000, 0.0001683800000000, -0.0000003800000000 ] - [ 0.0000000000000000, -0.0000346300000000, 0.0000042500000000 ] - [ -0.0003683500000000, 0.0001091200000000, 0.0001208700000000 ] - [ -0.0001386300000000, -0.0001009700000000, -0.0000001200000000 ] - [ 0.0000000000000000, -0.0000330100000000, 0.0074203400000000 ] - [ 0.0000116400000000, -0.0001009100000000, 0.0000586100000000 ] - [ 0.0000348900000000, -0.0000218700000000, -0.0000006300000000 ] - [ -0.0000072100000000, 0.0000633200000000, 0.0000779700000000 ] - [ -0.0004788300000000, 0.0000087700000000, 0.0000013400000000 ] - [ 0.0001629600000000, 0.0000617100000000, -0.0000003200000000 ] - [ -0.0000116400000000, -0.0001009100000000, 0.0000586100000000 ] - [ -0.0001266200000000, 0.0000030000000000, 0.0000022700000000 ] - [ 0.0000673800000000, 0.0000245300000000, -0.0000027300000000 ] - [ -0.0000478600000000, 0.0001683800000000, -0.0000003800000000 ] - [ 0.0002147300000000, -0.0001020100000000, -0.0011634000000000 ] - [ 0.0004933400000000, -0.0000191900000000, -0.0044842200000000 ] - [ 0.0000260700000000, 0.0000869000000000, -0.0001231800000000 ] - [ -0.0002887400000000, 0.0002073600000000, -0.0000002100000000 ] - [ 0.0000000000000000, 0.0000869900000000, -0.0000016400000000 ] - [ -0.0001408700000000, 0.0003543600000000, 0.0000019700000000 ] - [ -0.0001629600000000, 0.0000617100000000, -0.0000003200000000 ] - [ 0.0001963500000000, -0.0002612100000000, 0.0000001800000000 ] - [ 0.0000072100000000, 0.0000633200000000, 0.0000779700000000 ] - [ -0.0000673800000000, 0.0000245300000000, -0.0000027300000000 ] - [ 0.0003332600000000, -0.0001453200000000, 0.0000134500000000 ] - [ 0.0001266200000000, 0.0000030000000000, 0.0000022700000000 ] - [ -0.0000260700000000, 0.0000869000000000, -0.0001231800000000 ] - [ 0.0004788300000000, 0.0000087700000000, 0.0000013400000000 ] - [ -0.0001966800000000, -0.0002858700000000, -0.0000014700000000 ] - [ -0.0001963500000000, -0.0002612100000000, 0.0000001800000000 ] - [ 0.0001777700000000, 0.0003016100000000, 0.0000005700000000 ] - [ -0.0000252200000000, -0.0000591400000000, -0.0000026400000000 ] - [ 0.0003683500000000, 0.0001091200000000, 0.0001208700000000 ] - [ -0.0003757000000000, -0.0001224600000000, -0.0000291800000000 ] - [ 0.0004150400000000, 0.0000634200000000, 0.0000534800000000 ] - [ -0.0000457000000000, -0.0000441000000000, 0.0000072500000000 ] - [ 0.0000457000000000, -0.0000441000000000, 0.0000072500000000 ] - [ -0.0000737500000000, 0.0001932400000000, 0.0001987100000000 ] - [ 0.0000000000000000, -0.0004809400000000, -0.0000002600000000 ] - [ 0.0001211300000000, 0.0001307300000000, -0.0000002800000000 ] - [ 0.0000122100000000, 0.0001218300000000, -0.0000001500000000 ] - [ 0.0000000000000000, -0.0000684500000000, -0.0000004300000000 ] - [ -0.0002209100000000, 0.0002533400000000, -0.0000001400000000 ] - [ -0.0002147300000000, -0.0001020100000000, -0.0011634000000000 ] - [ 0.0000000000000000, 0.0004884800000000, -0.0000004300000000 ] - [ 0.0000272200000000, -0.0001368200000000, -0.0000001800000000 ] - [ 0.0000252200000000, -0.0000591400000000, -0.0000026400000000 ] - [ -0.0000258900000000, 0.0000361000000000, -0.0000036100000000 ] - [ -0.0004546900000000, -0.0000193500000000, -0.0003728200000000 ] - [ 0.0001228900000000, 0.0000031700000000, -0.0000001900000000 ] - [ -0.0000272200000000, -0.0001368200000000, -0.0000001800000000 ] - [ -0.0001612200000000, -0.0000471400000000, 0.0000000400000000 ] - [ 0.0000678400000000, -0.0000066800000000, -0.0000005600000000 ] - [ -0.0000122100000000, 0.0001218300000000, -0.0000001500000000 ] - [ 0.0001386300000000, -0.0001009700000000, -0.0000001200000000 ] - [ 0.0001966800000000, -0.0002858700000000, -0.0000014700000000 ] - [ -0.0000142600000000, 0.0000551200000000, -0.0000018000000000 ] - [ -0.0004150400000000, 0.0000634200000000, 0.0000534800000000 ] - [ 0.0000000000000000, 0.0000545600000000, -0.0000011900000000 ] - [ -0.0001777700000000, 0.0003016100000000, 0.0000005700000000 ] - [ -0.0001228900000000, 0.0000031700000000, -0.0000001900000000 ] - [ 0.0002406200000000, -0.0002150700000000, 0.0000001800000000 ] - [ 0.0000258900000000, 0.0000361000000000, -0.0000036100000000 ] - [ -0.0000678400000000, -0.0000066800000000, -0.0000005600000000 ] - [ 0.0003757000000000, -0.0001224600000000, -0.0000291800000000 ] - [ 0.0001612200000000, -0.0000471400000000, 0.0000000400000000 ] - [ 0.0000142600000000, 0.0000551200000000, -0.0000018000000000 ] - [ 0.0004546900000000, -0.0000193500000000, -0.0003728200000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0208741400000000, 0.0033574600000000, 0.0000000000000000 ] - [ -0.0066890800000000, 0.0008705100000000, 0.0000000000000000 ] - [ -0.5035394200000000, 0.0088684500000000, 0.0000000000000000 ] - [ -0.0010689700000000, -0.0321417300000000, 0.0000000000000000 ] - [ -0.0045125900000000, -0.0022760400000000, 0.0000000000000000 ] - [ -0.0011858000000000, 0.0323612300000000, 0.0000000000000000 ] - [ 0.0320691200000000, -0.0478021900000000, 0.0000000000000000 ] - [ 0.0118634700000000, -0.0044950400000000, 0.0000000000000000 ] - [ -0.0280359500000000, -0.0008302900000000, 0.0000000000000000 ] - [ 0.0136040300000000, 0.0045221200000000, 0.0000000000000000 ] - [ 0.0323763100000000, 0.0476857800000000, 0.0000000000000000 ] - [ -0.0306725100000000, 0.0000786200000000, 0.0000000000000000 ] - [ 0.0209661700000000, -0.0031390100000000, 0.0000000000000000 ] - [ 0.0074716400000000, 0.0110707600000000, 0.0000000000000000 ] - [ 0.0074798400000000, -0.0113294900000000, 0.0000000000000000 ] - [ -0.0047996200000000, 0.0022938000000000, 0.0000000000000000 ] - [ 0.0003567500000000, 0.0001246000000000, 0.0000000000000000 ] - [ 0.0143471200000000, 0.0008672500000000, 0.0000000000000000 ] - [ 0.0041058400000000, -0.0001130500000000, 0.0000000000000000 ] - [ 0.0038116200000000, -0.0024205900000000, 0.0000000000000000 ] - [ 0.0141605300000000, -0.0049357700000000, 0.0000000000000000 ] - [ 0.0040369200000000, 0.0024126700000000, 0.0000000000000000 ] - [ 0.0051299400000000, -0.0024798900000000, 0.0000000000000000 ] - [ -0.0069548800000000, -0.0043308900000000, 0.0000000000000000 ] - [ 0.0092365100000000, -0.0008581400000000, 0.0000000000000000 ] - [ -0.0051898500000000, 0.0043443100000000, 0.0000000000000000 ] - [ 0.0053875400000000, 0.0024626900000000, 0.0000000000000000 ] - [ 0.0078310200000000, 0.0001042500000000, 0.0000000000000000 ] - [ 0.0003923100000000, 0.0001407500000000, 0.0000000000000000 ] - [ 0.0082931200000000, 0.0124860000000000, 0.0000000000000000 ] - [ 0.0082666100000000, -0.0127800700000000, 0.0000000000000000 ] - [ 0.0138784700000000, 0.0049264000000000, 0.0000000000000000 ] - [ 0.0024371900000000, -0.0022230100000000, 0.0000000000000000 ] - [ -0.0145907600000000, 0.0136271900000000, 0.0000000000000000 ] - [ 0.0128276400000000, -0.0183717000000000, 0.0000000000000000 ] - [ -0.0086266700000000, -0.0045249800000000, 0.0000000000000000 ] - [ -0.0099745500000000, 0.0089183100000000, 0.0000000000000000 ] - [ -0.0025439100000000, -0.0010290000000000, 0.0000000000000000 ] - [ -0.0078598600000000, 0.0064080400000000, 0.0000000000000000 ] - [ -0.0071376400000000, -0.0010497800000000, 0.0000000000000000 ] - [ -0.0070812200000000, 0.0010194100000000, 0.0000000000000000 ] - [ -0.0059329500000000, -0.0047885600000000, 0.0000000000000000 ] - [ 0.0053609400000000, -0.0004824000000000, 0.0000000000000000 ] - [ 0.0052045900000000, -0.0011700200000000, 0.0000000000000000 ] - [ 0.2033402200000000, 0.1410786400000000, 0.0000000000000000 ] - [ 0.0134264100000000, -0.0000607700000000, 0.0000000000000000 ] - [ 0.0002046400000000, 0.0000193600000000, 0.0000000000000000 ] - [ -0.0065792900000000, 0.0038748900000000, 0.0000000000000000 ] - [ 0.0009614100000000, 0.0004837300000000, 0.0000000000000000 ] - [ 0.0074150600000000, -0.0021402300000000, 0.0000000000000000 ] - [ -0.0085864800000000, 0.0045109400000000, 0.0000000000000000 ] - [ -0.0000675000000000, 0.0030720200000000, 0.0000000000000000 ] - [ -0.0026773700000000, 0.0009769200000000, 0.0000000000000000 ] - [ -0.0039485000000000, 0.0060043000000000, 0.0000000000000000 ] - [ 0.0074015500000000, 0.0018856700000000, 0.0000000000000000 ] - [ -0.0074745800000000, -0.0097180500000000, 0.0000000000000000 ] - [ 0.0075073000000000, 0.0191290600000000, 0.0000000000000000 ] - [ 0.2120210300000000, -0.1497647600000000, 0.0000000000000000 ] - [ 0.0035721800000000, 0.0028902100000000, 0.0000000000000000 ] - [ 0.0027928900000000, 0.0016139400000000, 0.0000000000000000 ] - [ 0.0012368300000000, 0.0017358400000000, 0.0000000000000000 ] - [ -0.0084769600000000, -0.0060505900000000, 0.0000000000000000 ] - [ 0.0459728400000000, -0.0001801000000000, 0.0000000000000000 ] - [ 0.0124305100000000, 0.0188959100000000, 0.0000000000000000 ] - [ -0.0041998100000000, -0.0061577000000000, 0.0000000000000000 ] - [ -0.0042372000000000, -0.0051463200000000, 0.0000000000000000 ] - [ 0.0000244500000000, -0.0030169700000000, 0.0000000000000000 ] - [ 0.0077290000000000, -0.0188636200000000, 0.0000000000000000 ] - [ -0.0019545400000000, 0.0006491600000000, 0.0000000000000000 ] - [ -0.0072573600000000, 0.0097378600000000, 0.0000000000000000 ] - [ 0.0012998800000000, -0.0016552700000000, 0.0000000000000000 ] - [ -0.0017128700000000, -0.0009824700000000, 0.0000000000000000 ] - [ -0.0065379100000000, 0.0035011000000000, 0.0000000000000000 ] - [ -0.0047031700000000, 0.0046877100000000, 0.0000000000000000 ] - [ -0.0023839300000000, 0.0018038500000000, 0.0000000000000000 ] - [ -0.0005597000000000, -0.0004411800000000, 0.0000000000000000 ] - [ 0.0006576100000000, 0.0004450600000000, 0.0000000000000000 ] - [ 0.0031109500000000, -0.0052573700000000, 0.0000000000000000 ] - [ 0.0006603500000000, 0.0005505000000000, 0.0000000000000000 ] - [ -0.0003676300000000, -0.0000399600000000, 0.0000000000000000 ] - [ -0.0002889300000000, -0.0000184700000000, 0.0000000000000000 ] - [ 0.0049336100000000, 0.0013826100000000, 0.0000000000000000 ] - [ -0.0011662200000000, -0.0004855800000000, 0.0000000000000000 ] - [ -0.0056817500000000, 0.0050257500000000, 0.0000000000000000 ] - [ -0.0022881600000000, -0.0016367200000000, 0.0000000000000000 ] - [ -0.0016036100000000, -0.0000633300000000, 0.0000000000000000 ] - [ -0.0104089800000000, -0.0084296300000000, 0.0000000000000000 ] - [ 0.0033298500000000, -0.0031363600000000, 0.0000000000000000 ] - [ -0.0021827100000000, 0.0004830700000000, 0.0000000000000000 ] - [ -0.0053521000000000, 0.0041669800000000, 0.0000000000000000 ] - [ -0.0005058600000000, 0.0003545700000000, 0.0000000000000000 ] - [ -0.0025344400000000, 0.0007161300000000, 0.0000000000000000 ] - [ 0.0005092300000000, 0.0007906400000000, 0.0000000000000000 ] - [ -0.0000527000000000, 0.0002598000000000, 0.0000000000000000 ] - [ -0.0053829300000000, -0.0044325700000000, 0.0000000000000000 ] - [ -0.0043607800000000, -0.0039936700000000, 0.0000000000000000 ] - [ -0.0016222000000000, -0.0000042400000000, 0.0000000000000000 ] - [ -0.0023279200000000, 0.0019128600000000, 0.0000000000000000 ] - [ -0.0063338100000000, -0.0041242600000000, 0.0000000000000000 ] - [ -0.0061750900000000, -0.0041010500000000, 0.0000000000000000 ] - [ -0.0020009400000000, 0.0010409200000000, 0.0000000000000000 ] - [ 0.0000450000000000, -0.0001958800000000, 0.0000000000000000 ] - [ -0.0016995200000000, 0.0000672100000000, 0.0000000000000000 ] - [ -0.0027511300000000, -0.0012080600000000, 0.0000000000000000 ] - [ -0.0003338800000000, -0.0002137600000000, 0.0000000000000000 ] - [ -0.0141363600000000, -0.0140941300000000, 0.0000000000000000 ] - [ -0.0024534200000000, -0.0006506900000000, 0.0000000000000000 ] - [ -0.0017545100000000, 0.0000080600000000, 0.0000000000000000 ] - [ 0.0037254500000000, 0.0049080600000000, 0.0000000000000000 ] - [ -0.0040857200000000, 0.0039583000000000, 0.0000000000000000 ] - [ -0.0019454700000000, -0.0009484400000000, 0.0000000000000000 ] - [ 0.0014725500000000, -0.0007883700000000, 0.0000000000000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006682600000000, -0.0184393000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0117856900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.4275897800000000, 0.0000000000000000 ] - [ -0.0344884200000000, -0.0012572200000000, 0.0000000000000000 ] - [ -0.0055961900000000, 0.0109570300000000, 0.0000000000000000 ] - [ 0.0344884200000000, -0.0012572200000000, 0.0000000000000000 ] - [ -0.0343701800000000, 0.0229123000000000, 0.0000000000000000 ] - [ -0.0028976800000000, -0.0062801800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0151017200000000, 0.0000000000000000 ] - [ 0.0028976800000000, -0.0062801800000000, 0.0000000000000000 ] - [ 0.0343701800000000, 0.0229123000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0225819600000000, 0.0000000000000000 ] - [ -0.0006682600000000, -0.0184393000000000, 0.0000000000000000 ] - [ 0.0103895100000000, 0.0063392700000000, 0.0000000000000000 ] - [ -0.0103895100000000, 0.0063392700000000, 0.0000000000000000 ] - [ 0.0055961900000000, 0.0109570300000000, 0.0000000000000000 ] - [ 0.0015257200000000, 0.0077117200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0041091900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0027086300000000, 0.0000000000000000 ] - [ -0.0008558200000000, 0.0039371800000000, 0.0000000000000000 ] - [ -0.0030055200000000, -0.0019511800000000, 0.0000000000000000 ] - [ 0.0008558200000000, 0.0039371800000000, 0.0000000000000000 ] - [ -0.0034313800000000, 0.0037954100000000, 0.0000000000000000 ] - [ -0.0030136000000000, 0.0108589100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022231300000000, 0.0000000000000000 ] - [ 0.0030136000000000, 0.0108589100000000, 0.0000000000000000 ] - [ 0.0034313800000000, 0.0037954100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014298700000000, 0.0000000000000000 ] - [ -0.0015257200000000, 0.0077117200000000, 0.0000000000000000 ] - [ 0.0074611800000000, 0.0073576600000000, 0.0000000000000000 ] - [ -0.0074611800000000, 0.0073576600000000, 0.0000000000000000 ] - [ 0.0030055200000000, -0.0019511800000000, 0.0000000000000000 ] - [ 0.0021855700000000, -0.0047557300000000, 0.0000000000000000 ] - [ 0.0108330900000000, -0.0095025100000000, 0.0000000000000000 ] - [ -0.0008586900000000, -0.0054006700000000, 0.0000000000000000 ] - [ -0.0093582700000000, 0.0011941800000000, 0.0000000000000000 ] - [ 0.0002120400000000, 0.0026342200000000, 0.0000000000000000 ] - [ -0.0040806700000000, 0.0024330500000000, 0.0000000000000000 ] - [ -0.0018540300000000, 0.0054501900000000, 0.0000000000000000 ] - [ -0.0051122200000000, 0.0056173600000000, 0.0000000000000000 ] - [ 0.0051122200000000, 0.0056173600000000, 0.0000000000000000 ] - [ 0.0002493500000000, 0.0013704300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0034812500000000, 0.0000000000000000 ] - [ 0.0056222400000000, -0.0069475400000000, 0.0000000000000000 ] - [ 0.1488883400000000, 0.1556032100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0041796600000000, 0.0000000000000000 ] - [ -0.0051688600000000, -0.0051182400000000, 0.0000000000000000 ] - [ -0.0020594300000000, 0.0025036900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013740600000000, 0.0000000000000000 ] - [ 0.0067674800000000, -0.0077628600000000, 0.0000000000000000 ] - [ 0.0093582700000000, 0.0011941800000000, 0.0000000000000000 ] - [ 0.0017373100000000, -0.0020645800000000, 0.0000000000000000 ] - [ -0.0001159400000000, 0.0011411200000000, 0.0000000000000000 ] - [ 0.0122923200000000, 0.0185304200000000, 0.0000000000000000 ] - [ -0.0067674800000000, -0.0077628600000000, 0.0000000000000000 ] - [ -0.0084709500000000, -0.0076534300000000, 0.0000000000000000 ] - [ 0.0079666800000000, 0.0005310100000000, 0.0000000000000000 ] - [ -0.1488883400000000, 0.1556032100000000, 0.0000000000000000 ] - [ -0.0035652700000000, -0.0053973500000000, 0.0000000000000000 ] - [ -0.0021855700000000, -0.0047557300000000, 0.0000000000000000 ] - [ 0.0012829200000000, -0.0020546700000000, 0.0000000000000000 ] - [ 0.0018540300000000, 0.0054501900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0596602800000000, 0.0000000000000000 ] - [ 0.0008586900000000, -0.0054006700000000, 0.0000000000000000 ] - [ -0.0122923200000000, 0.0185304200000000, 0.0000000000000000 ] - [ -0.0039563600000000, -0.0046367400000000, 0.0000000000000000 ] - [ -0.0017373100000000, -0.0020645800000000, 0.0000000000000000 ] - [ -0.0079666800000000, 0.0005310100000000, 0.0000000000000000 ] - [ 0.0040806700000000, 0.0024330500000000, 0.0000000000000000 ] - [ 0.0084709500000000, -0.0076534300000000, 0.0000000000000000 ] - [ -0.0012829200000000, -0.0020546700000000, 0.0000000000000000 ] - [ 0.0001159400000000, 0.0011411200000000, 0.0000000000000000 ] - [ -0.0020341200000000, 0.0015915900000000, 0.0000000000000000 ] - [ 0.0039563600000000, -0.0046367400000000, 0.0000000000000000 ] - [ -0.0004952700000000, 0.0005392500000000, 0.0000000000000000 ] - [ 0.0000315400000000, -0.0013141200000000, 0.0000000000000000 ] - [ 0.0051688600000000, -0.0051182400000000, 0.0000000000000000 ] - [ 0.0006531000000000, -0.0029608100000000, 0.0000000000000000 ] - [ 0.0032317900000000, -0.0040082300000000, 0.0000000000000000 ] - [ -0.0001650400000000, -0.0011611800000000, 0.0000000000000000 ] - [ 0.0001650400000000, -0.0011611800000000, 0.0000000000000000 ] - [ -0.0056222400000000, -0.0069475400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002822500000000, 0.0000000000000000 ] - [ -0.0002493500000000, 0.0013704300000000, 0.0000000000000000 ] - [ -0.0012767800000000, -0.0014917000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007176200000000, 0.0000000000000000 ] - [ -0.0002120400000000, 0.0026342200000000, 0.0000000000000000 ] - [ 0.0035652700000000, -0.0053973500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013162100000000, 0.0000000000000000 ] - [ 0.0006802800000000, -0.0005151800000000, 0.0000000000000000 ] - [ -0.0000315400000000, -0.0013141200000000, 0.0000000000000000 ] - [ 0.0019781400000000, 0.0001640300000000, 0.0000000000000000 ] - [ -0.0000977400000000, -0.0014557900000000, 0.0000000000000000 ] - [ -0.0016922300000000, -0.0024445900000000, 0.0000000000000000 ] - [ -0.0006802800000000, -0.0005151800000000, 0.0000000000000000 ] - [ -0.0031902300000000, -0.0031301000000000, 0.0000000000000000 ] - [ 0.0003229000000000, -0.0008736600000000, 0.0000000000000000 ] - [ 0.0012767800000000, -0.0014917000000000, 0.0000000000000000 ] - [ 0.0020594300000000, 0.0025036900000000, 0.0000000000000000 ] - [ 0.0020341200000000, 0.0015915900000000, 0.0000000000000000 ] - [ 0.0011714000000000, 0.0006434100000000, 0.0000000000000000 ] - [ -0.0032317900000000, -0.0040082300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011056100000000, 0.0000000000000000 ] - [ 0.0004952700000000, 0.0005392500000000, 0.0000000000000000 ] - [ 0.0016922300000000, -0.0024445900000000, 0.0000000000000000 ] - [ -0.0108330900000000, -0.0095025100000000, 0.0000000000000000 ] - [ -0.0019781400000000, 0.0001640300000000, 0.0000000000000000 ] - [ -0.0003229000000000, -0.0008736600000000, 0.0000000000000000 ] - [ -0.0006531000000000, -0.0029608100000000, 0.0000000000000000 ] - [ 0.0031902300000000, -0.0031301000000000, 0.0000000000000000 ] - [ -0.0011714000000000, 0.0006434100000000, 0.0000000000000000 ] - [ 0.0000977400000000, -0.0014557900000000, 0.0000000000000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006558000000000, 0.0186101800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100020900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.4352153300000000, 0.0000000000000000 ] - [ 0.0340798900000000, 0.0009950200000000, 0.0000000000000000 ] - [ 0.0058054400000000, -0.0108807600000000, 0.0000000000000000 ] - [ -0.0340798900000000, 0.0009950200000000, 0.0000000000000000 ] - [ 0.0340555600000000, -0.0226833000000000, 0.0000000000000000 ] - [ 0.0011648000000000, 0.0062379200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0167806900000000, 0.0000000000000000 ] - [ -0.0011648000000000, 0.0062379200000000, 0.0000000000000000 ] - [ -0.0340555600000000, -0.0226833000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0221429600000000, 0.0000000000000000 ] - [ 0.0006558000000000, 0.0186101800000000, 0.0000000000000000 ] - [ -0.0103286900000000, -0.0065826800000000, 0.0000000000000000 ] - [ 0.0103286900000000, -0.0065826800000000, 0.0000000000000000 ] - [ -0.0058054400000000, -0.0108807600000000, 0.0000000000000000 ] - [ -0.0015148300000000, -0.0074076000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0058048500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029014700000000, 0.0000000000000000 ] - [ 0.0006445500000000, -0.0039100100000000, 0.0000000000000000 ] - [ 0.0032443900000000, 0.0019561800000000, 0.0000000000000000 ] - [ -0.0006445500000000, -0.0039100100000000, 0.0000000000000000 ] - [ 0.0031489400000000, -0.0037869400000000, 0.0000000000000000 ] - [ 0.0012942800000000, -0.0108030700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004853100000000, 0.0000000000000000 ] - [ -0.0012942800000000, -0.0108030700000000, 0.0000000000000000 ] - [ -0.0031489400000000, -0.0037869400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012084000000000, 0.0000000000000000 ] - [ 0.0015148300000000, -0.0074076000000000, 0.0000000000000000 ] - [ -0.0074195200000000, -0.0075659100000000, 0.0000000000000000 ] - [ 0.0074195200000000, -0.0075659100000000, 0.0000000000000000 ] - [ -0.0032443900000000, 0.0019561800000000, 0.0000000000000000 ] - [ -0.0025385700000000, 0.0041245300000000, 0.0000000000000000 ] - [ -0.0112039600000000, 0.0089726900000000, 0.0000000000000000 ] - [ 0.0013294900000000, 0.0059317500000000, 0.0000000000000000 ] - [ 0.0092610700000000, -0.0012706300000000, 0.0000000000000000 ] - [ 0.0002574000000000, -0.0021698200000000, 0.0000000000000000 ] - [ 0.0034553200000000, -0.0027781900000000, 0.0000000000000000 ] - [ 0.0024405200000000, -0.0050529600000000, 0.0000000000000000 ] - [ 0.0049983300000000, -0.0056503200000000, 0.0000000000000000 ] - [ -0.0049983300000000, -0.0056503200000000, 0.0000000000000000 ] - [ -0.0004901900000000, -0.0011137100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0025180800000000, 0.0000000000000000 ] - [ -0.0053588600000000, 0.0071666200000000, 0.0000000000000000 ] - [ -0.1561535700000000, -0.1596133100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0039981400000000, 0.0000000000000000 ] - [ 0.0046724900000000, 0.0055419800000000, 0.0000000000000000 ] - [ 0.0018028200000000, -0.0027331200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0023259300000000, 0.0000000000000000 ] - [ -0.0066713700000000, 0.0074398900000000, 0.0000000000000000 ] - [ -0.0092610700000000, -0.0012706300000000, 0.0000000000000000 ] - [ -0.0018063000000000, 0.0021134300000000, 0.0000000000000000 ] - [ -0.0008445500000000, -0.0011333700000000, 0.0000000000000000 ] - [ -0.0119879400000000, -0.0183861800000000, 0.0000000000000000 ] - [ 0.0066713700000000, 0.0074398900000000, 0.0000000000000000 ] - [ 0.0081892200000000, 0.0076301800000000, 0.0000000000000000 ] - [ -0.0080752200000000, 0.0000247000000000, 0.0000000000000000 ] - [ 0.1561535700000000, -0.1596133100000000, 0.0000000000000000 ] - [ 0.0037884100000000, 0.0051243600000000, 0.0000000000000000 ] - [ 0.0025385700000000, 0.0041245300000000, 0.0000000000000000 ] - [ -0.0013252900000000, 0.0021260000000000, 0.0000000000000000 ] - [ -0.0024405200000000, -0.0050529600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0599747900000000, 0.0000000000000000 ] - [ -0.0013294900000000, 0.0059317500000000, 0.0000000000000000 ] - [ 0.0119879400000000, -0.0183861800000000, 0.0000000000000000 ] - [ 0.0043967500000000, 0.0041555600000000, 0.0000000000000000 ] - [ 0.0018063000000000, 0.0021134300000000, 0.0000000000000000 ] - [ 0.0080752200000000, 0.0000247000000000, 0.0000000000000000 ] - [ -0.0034553200000000, -0.0027781900000000, 0.0000000000000000 ] - [ -0.0081892200000000, 0.0076301800000000, 0.0000000000000000 ] - [ 0.0013252900000000, 0.0021260000000000, 0.0000000000000000 ] - [ 0.0008445500000000, -0.0011333700000000, 0.0000000000000000 ] - [ 0.0016629100000000, -0.0021870500000000, 0.0000000000000000 ] - [ -0.0043967500000000, 0.0041555600000000, 0.0000000000000000 ] - [ 0.0008501100000000, 0.0000688300000000, 0.0000000000000000 ] - [ -0.0000892600000000, 0.0012243000000000, 0.0000000000000000 ] - [ -0.0046724900000000, 0.0055419800000000, 0.0000000000000000 ] - [ -0.0012418500000000, 0.0025739000000000, 0.0000000000000000 ] - [ -0.0026138100000000, 0.0043504400000000, 0.0000000000000000 ] - [ 0.0000803200000000, 0.0010982500000000, 0.0000000000000000 ] - [ -0.0000803200000000, 0.0010982500000000, 0.0000000000000000 ] - [ 0.0053588600000000, 0.0071666200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006782900000000, 0.0000000000000000 ] - [ 0.0004901900000000, -0.0011137100000000, 0.0000000000000000 ] - [ 0.0013118900000000, 0.0017593200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005831200000000, 0.0000000000000000 ] - [ -0.0002574000000000, -0.0021698200000000, 0.0000000000000000 ] - [ -0.0037884100000000, 0.0051243600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003495300000000, 0.0000000000000000 ] - [ -0.0006314500000000, 0.0002330100000000, 0.0000000000000000 ] - [ 0.0000892600000000, 0.0012243000000000, 0.0000000000000000 ] - [ -0.0020526900000000, -0.0001064600000000, 0.0000000000000000 ] - [ -0.0008658000000000, 0.0014492900000000, 0.0000000000000000 ] - [ 0.0019553500000000, 0.0024703300000000, 0.0000000000000000 ] - [ 0.0006314500000000, 0.0002330100000000, 0.0000000000000000 ] - [ 0.0028945200000000, 0.0030672800000000, 0.0000000000000000 ] - [ -0.0001932500000000, 0.0008682500000000, 0.0000000000000000 ] - [ -0.0013118900000000, 0.0017593200000000, 0.0000000000000000 ] - [ -0.0018028200000000, -0.0027331200000000, 0.0000000000000000 ] - [ -0.0016629100000000, -0.0021870500000000, 0.0000000000000000 ] - [ -0.0012228500000000, -0.0005595200000000, 0.0000000000000000 ] - [ 0.0026138100000000, 0.0043504400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012289200000000, 0.0000000000000000 ] - [ -0.0008501100000000, 0.0000688300000000, 0.0000000000000000 ] - [ -0.0019553500000000, 0.0024703300000000, 0.0000000000000000 ] - [ 0.0112039600000000, 0.0089726900000000, 0.0000000000000000 ] - [ 0.0020526900000000, -0.0001064600000000, 0.0000000000000000 ] - [ 0.0001932500000000, 0.0008682500000000, 0.0000000000000000 ] - [ 0.0012418500000000, 0.0025739000000000, 0.0000000000000000 ] - [ -0.0028945200000000, 0.0030672800000000, 0.0000000000000000 ] - [ 0.0012228500000000, -0.0005595200000000, 0.0000000000000000 ] - [ 0.0008658000000000, 0.0014492900000000, 0.0000000000000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000156600000000, -0.0000643300000000, -0.0000061500000000 ] - [ 0.0000000000000000, 0.0009594500000000, 0.0000006700000000 ] - [ 0.0000000000000000, -0.0022565400000000, -0.1549083300000000 ] - [ -0.0005883500000000, 0.0002300300000000, 0.0064422200000000 ] - [ 0.0000775400000000, 0.0000973200000000, -0.0000036300000000 ] - [ 0.0005883500000000, 0.0002300300000000, 0.0064422200000000 ] - [ -0.0004323100000000, 0.0002734200000000, -0.0014239600000000 ] - [ -0.0008771700000000, -0.0000637100000000, 0.0000006900000000 ] - [ 0.0000000000000000, -0.0007177100000000, -0.0000582900000000 ] - [ 0.0008771700000000, -0.0000637100000000, 0.0000006900000000 ] - [ 0.0004323100000000, 0.0002734200000000, -0.0014239600000000 ] - [ 0.0000000000000000, 0.0002056200000000, -0.0000305400000000 ] - [ -0.0000156600000000, -0.0000643300000000, -0.0000061500000000 ] - [ 0.0001030700000000, -0.0000595000000000, -0.0000043100000000 ] - [ -0.0001030700000000, -0.0000595000000000, -0.0000043100000000 ] - [ -0.0000775400000000, 0.0000973200000000, -0.0000036300000000 ] - [ 0.0000166100000000, 0.0001976600000000, -0.0000004800000000 ] - [ 0.0000000000000000, 0.0008083100000000, 0.0000019900000000 ] - [ 0.0000000000000000, -0.0000705100000000, 0.0000007300000000 ] - [ -0.0001045500000000, 0.0000384000000000, 0.0000032100000000 ] - [ 0.0000935600000000, -0.0000176500000000, 0.0000108300000000 ] - [ 0.0001045500000000, 0.0000384000000000, 0.0000032100000000 ] - [ -0.0001590400000000, 0.0000390100000000, 0.0000018000000000 ] - [ -0.0008762300000000, 0.0001005100000000, 0.0000005500000000 ] - [ 0.0000000000000000, -0.0008722100000000, -0.0000000700000000 ] - [ 0.0008762300000000, 0.0001005100000000, 0.0000005500000000 ] - [ 0.0001590400000000, 0.0000390100000000, 0.0000018000000000 ] - [ 0.0000000000000000, 0.0001119000000000, 0.0000012400000000 ] - [ -0.0000166100000000, 0.0001976600000000, -0.0000004800000000 ] - [ 0.0000684400000000, -0.0000514900000000, 0.0000538600000000 ] - [ -0.0000684400000000, -0.0000514900000000, 0.0000538600000000 ] - [ -0.0000935600000000, -0.0000176500000000, 0.0000108300000000 ] - [ -0.0001593100000000, -0.0003441700000000, 0.0000005900000000 ] - [ -0.0001338800000000, -0.0003192900000000, -0.0001491100000000 ] - [ 0.0001909600000000, 0.0002371500000000, 0.0003285900000000 ] - [ -0.0001510100000000, -0.0000582000000000, -0.0001908400000000 ] - [ 0.0002368100000000, 0.0002546800000000, -0.0000168000000000 ] - [ -0.0003402300000000, -0.0001543800000000, -0.0000035400000000 ] - [ 0.0002806000000000, 0.0002353000000000, 0.0000170800000000 ] - [ -0.0000896700000000, 0.0000251100000000, -0.0000042000000000 ] - [ 0.0000896700000000, 0.0000251100000000, -0.0000042000000000 ] - [ -0.0001181500000000, 0.0001360300000000, 0.0000003300000000 ] - [ 0.0000000000000000, -0.0005059600000000, 0.0000309800000000 ] - [ 0.0001704700000000, 0.0000587300000000, -0.0000021100000000 ] - [ 0.0002431300000000, 0.0004711100000000, 0.0133584800000000 ] - [ 0.0000000000000000, -0.0002012700000000, 0.0000365000000000 ] - [ -0.0002785500000000, 0.0001825200000000, -0.0000001000000000 ] - [ -0.0001414900000000, -0.0000962500000000, -0.0000003200000000 ] - [ 0.0000000000000000, 0.0004650700000000, -0.0000012700000000 ] - [ 0.0000745200000000, -0.0001955700000000, -0.0000061100000000 ] - [ 0.0001510100000000, -0.0000582000000000, -0.0001908400000000 ] - [ -0.0000278200000000, 0.0000087200000000, -0.0000132600000000 ] - [ -0.0004790000000000, 0.0000119800000000, -0.0000005700000000 ] - [ 0.0002746300000000, 0.0001772200000000, -0.0006589500000000 ] - [ -0.0000745200000000, -0.0001955700000000, -0.0000061100000000 ] - [ -0.0002392900000000, -0.0001498900000000, 0.0000593800000000 ] - [ 0.0001974700000000, -0.0001404100000000, 0.0026506000000000 ] - [ -0.0002431300000000, 0.0004711100000000, 0.0133584800000000 ] - [ 0.0000877600000000, -0.0001707600000000, -0.0000000300000000 ] - [ 0.0001593100000000, -0.0003441700000000, 0.0000005900000000 ] - [ -0.0000162700000000, 0.0000203500000000, 0.0000059400000000 ] - [ -0.0002806000000000, 0.0002353000000000, 0.0000170800000000 ] - [ 0.0000000000000000, 0.0011420100000000, 0.1141666400000000 ] - [ -0.0001909600000000, 0.0002371500000000, 0.0003285900000000 ] - [ -0.0002746300000000, 0.0001772200000000, -0.0006589500000000 ] - [ 0.0001914100000000, -0.0002792800000000, -0.0000029500000000 ] - [ 0.0000278200000000, 0.0000087200000000, -0.0000132600000000 ] - [ -0.0001974700000000, -0.0001404100000000, 0.0026506000000000 ] - [ 0.0003402300000000, -0.0001543800000000, -0.0000035400000000 ] - [ 0.0002392900000000, -0.0001498900000000, 0.0000593800000000 ] - [ 0.0000162700000000, 0.0000203500000000, 0.0000059400000000 ] - [ 0.0004790000000000, 0.0000119800000000, -0.0000005700000000 ] - [ -0.0001997200000000, -0.0002837700000000, -0.0000033600000000 ] - [ -0.0001914100000000, -0.0002792800000000, -0.0000029500000000 ] - [ 0.0001745800000000, 0.0003043900000000, -0.0000004700000000 ] - [ -0.0000266100000000, -0.0000553800000000, -0.0000005800000000 ] - [ 0.0002785500000000, 0.0001825200000000, -0.0000001000000000 ] - [ -0.0002913600000000, -0.0002098500000000, -0.0000116000000000 ] - [ 0.0003295300000000, 0.0001434100000000, -0.0000002300000000 ] - [ -0.0000429100000000, -0.0000390700000000, 0.0000012500000000 ] - [ 0.0000429100000000, -0.0000390700000000, 0.0000012500000000 ] - [ -0.0001704700000000, 0.0000587300000000, -0.0000021100000000 ] - [ 0.0000000000000000, -0.0004801500000000, -0.0000001600000000 ] - [ 0.0001181500000000, 0.0001360300000000, 0.0000003300000000 ] - [ 0.0000115000000000, 0.0001210100000000, -0.0000003800000000 ] - [ 0.0000000000000000, -0.0000717300000000, -0.0000008100000000 ] - [ -0.0002368100000000, 0.0002546800000000, -0.0000168000000000 ] - [ -0.0000877600000000, -0.0001707600000000, -0.0000000300000000 ] - [ 0.0000000000000000, 0.0004902000000000, -0.0000008300000000 ] - [ 0.0000311500000000, -0.0001415100000000, -0.0000013200000000 ] - [ 0.0000266100000000, -0.0000553800000000, -0.0000005800000000 ] - [ -0.0000235800000000, 0.0000281500000000, -0.0000306700000000 ] - [ -0.0004789700000000, -0.0000131600000000, -0.0000005900000000 ] - [ 0.0001196900000000, 0.0000007100000000, -0.0000008300000000 ] - [ -0.0000311500000000, -0.0001415100000000, -0.0000013200000000 ] - [ -0.0001658400000000, -0.0000543800000000, -0.0000131600000000 ] - [ 0.0000668100000000, -0.0000085900000000, -0.0000006400000000 ] - [ -0.0000115000000000, 0.0001210100000000, -0.0000003800000000 ] - [ 0.0001414900000000, -0.0000962500000000, -0.0000003200000000 ] - [ 0.0001997200000000, -0.0002837700000000, -0.0000033600000000 ] - [ -0.0000165400000000, 0.0000475000000000, -0.0000027000000000 ] - [ -0.0003295300000000, 0.0001434100000000, -0.0000002300000000 ] - [ 0.0000000000000000, 0.0000538300000000, -0.0000013100000000 ] - [ -0.0001745800000000, 0.0003043900000000, -0.0000004700000000 ] - [ -0.0001196900000000, 0.0000007100000000, -0.0000008300000000 ] - [ 0.0001338800000000, -0.0003192900000000, -0.0001491100000000 ] - [ 0.0000235800000000, 0.0000281500000000, -0.0000306700000000 ] - [ -0.0000668100000000, -0.0000085900000000, -0.0000006400000000 ] - [ 0.0002913600000000, -0.0002098500000000, -0.0000116000000000 ] - [ 0.0001658400000000, -0.0000543800000000, -0.0000131600000000 ] - [ 0.0000165400000000, 0.0000475000000000, -0.0000027000000000 ] - [ 0.0004789700000000, -0.0000131600000000, -0.0000005900000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008867800000000, 0.0017491100000000, 0.0000000000000000 ] - [ -0.0021207500000000, 0.0124766600000000, 0.0000000000000000 ] - [ 0.0026130000000000, 0.0022332600000000, 0.0000000000000000 ] - [ 0.0024761200000000, -0.0008488500000000, 0.0000000000000000 ] - [ -0.0121615000000000, -0.0153672500000000, 0.0000000000000000 ] - [ 0.0053687400000000, 0.0062058000000000, 0.0000000000000000 ] - [ 0.0032891300000000, 0.0036523100000000, 0.0000000000000000 ] - [ -0.0056355300000000, -0.0000865200000000, 0.0000000000000000 ] - [ 0.0046919300000000, 0.0075110000000000, 0.0000000000000000 ] - [ -0.0058956100000000, 0.0076225500000000, 0.0000000000000000 ] - [ 0.0002961100000000, 0.0041652800000000, 0.0000000000000000 ] - [ 0.0125499700000000, -0.0010320100000000, 0.0000000000000000 ] - [ 0.0006503300000000, 0.0052401800000000, 0.0000000000000000 ] - [ -0.0083048100000000, 0.0118183900000000, 0.0000000000000000 ] - [ -0.0035820300000000, -0.0050539600000000, 0.0000000000000000 ] - [ 0.1930298200000000, -0.1544908600000000, 0.0000000000000000 ] - [ -0.0126831100000000, -0.0294316700000000, 0.0000000000000000 ] - [ -0.0038767100000000, 0.0037625900000000, 0.0000000000000000 ] - [ -0.0063498900000000, -0.0019579400000000, 0.0000000000000000 ] - [ -0.0028743900000000, -0.0050758800000000, 0.0000000000000000 ] - [ -0.0002048400000000, 0.0017036300000000, 0.0000000000000000 ] - [ -0.0040625100000000, 0.0003721900000000, 0.0000000000000000 ] - [ -0.0077709800000000, -0.0012451700000000, 0.0000000000000000 ] - [ 0.0219621100000000, 0.0049798800000000, 0.0000000000000000 ] - [ -0.0086240800000000, 0.0000295800000000, 0.0000000000000000 ] - [ -0.0111325200000000, 0.0149207600000000, 0.0000000000000000 ] - [ -0.0120846100000000, -0.0036035800000000, 0.0000000000000000 ] - [ -0.0025665200000000, -0.0005606800000000, 0.0000000000000000 ] - [ -0.0091062000000000, 0.0007407100000000, 0.0000000000000000 ] - [ -0.0044413800000000, 0.0040996600000000, 0.0000000000000000 ] - [ 0.0039328600000000, 0.0000300000000000, 0.0000000000000000 ] - [ -0.0033006800000000, 0.0015212100000000, 0.0000000000000000 ] - [ -0.2528327600000000, 0.1913129200000000, 0.0000000000000000 ] - [ -0.0010495300000000, 0.0000101500000000, 0.0000000000000000 ] - [ 0.0017660400000000, -0.0022177500000000, 0.0000000000000000 ] - [ 0.0002041500000000, -0.0010552500000000, 0.0000000000000000 ] - [ 0.0014033900000000, -0.0014862200000000, 0.0000000000000000 ] - [ 0.0065460100000000, -0.0083902500000000, 0.0000000000000000 ] - [ 0.0014817300000000, -0.0007909700000000, 0.0000000000000000 ] - [ 0.0003846600000000, -0.0007514200000000, 0.0000000000000000 ] - [ -0.0008028100000000, -0.0014380400000000, 0.0000000000000000 ] - [ 0.0027652100000000, 0.0010664200000000, 0.0000000000000000 ] - [ -0.0005447900000000, -0.0018497200000000, 0.0000000000000000 ] - [ -0.0011021100000000, -0.0006870700000000, 0.0000000000000000 ] - [ -0.0019980200000000, -0.0018508900000000, 0.0000000000000000 ] - [ -0.0016784100000000, -0.0000285200000000, 0.0000000000000000 ] - [ 0.0393612900000000, 0.0259452900000000, 0.0000000000000000 ] - [ 0.0036128700000000, -0.0041876600000000, 0.0000000000000000 ] - [ 0.0094729600000000, -0.0121820800000000, 0.0000000000000000 ] - [ -0.0077044100000000, 0.0079794400000000, 0.0000000000000000 ] - [ -0.0008934700000000, -0.0013906200000000, 0.0000000000000000 ] - [ 0.0023657700000000, 0.0029104600000000, 0.0000000000000000 ] - [ 0.0003199700000000, 0.0001485700000000, 0.0000000000000000 ] - [ -0.0002868100000000, -0.0004100700000000, 0.0000000000000000 ] - [ -0.0155149100000000, -0.0083681100000000, 0.0000000000000000 ] - [ -0.0058303000000000, -0.0069713700000000, 0.0000000000000000 ] - [ -0.0012638600000000, -0.0006832000000000, 0.0000000000000000 ] - [ -0.0002097000000000, -0.0005517300000000, 0.0000000000000000 ] - [ -0.0200229900000000, -0.0200165700000000, 0.0000000000000000 ] - [ 0.0257623000000000, 0.0102743700000000, 0.0000000000000000 ] - [ 0.0016260700000000, 0.0035115700000000, 0.0000000000000000 ] - [ -0.0016605500000000, -0.0026513700000000, 0.0000000000000000 ] - [ -0.0015845900000000, -0.0008389700000000, 0.0000000000000000 ] - [ -0.0037484600000000, -0.0034664800000000, 0.0000000000000000 ] - [ 0.0010347000000000, -0.0023216100000000, 0.0000000000000000 ] - [ 0.0069672900000000, 0.0039774200000000, 0.0000000000000000 ] - [ 0.0145330900000000, -0.0165323700000000, 0.0000000000000000 ] - [ -0.0022431300000000, -0.0003722800000000, 0.0000000000000000 ] - [ 0.0028987700000000, 0.0026486300000000, 0.0000000000000000 ] - [ -0.0012758100000000, 0.0019359100000000, 0.0000000000000000 ] - [ 0.0002320600000000, -0.0070123000000000, 0.0000000000000000 ] - [ 0.0016860100000000, -0.0015728100000000, 0.0000000000000000 ] - [ 0.0018497800000000, -0.0020823200000000, 0.0000000000000000 ] - [ 0.0020895500000000, -0.0010882600000000, 0.0000000000000000 ] - [ 0.0051626400000000, -0.0027345000000000, 0.0000000000000000 ] - [ 0.0025764100000000, 0.0009159200000000, 0.0000000000000000 ] - [ 0.0053361000000000, -0.0030873400000000, 0.0000000000000000 ] - [ 0.0054424000000000, -0.0054659800000000, 0.0000000000000000 ] - [ -0.0113684400000000, 0.0139089400000000, 0.0000000000000000 ] - [ 0.0029827400000000, 0.0013976300000000, 0.0000000000000000 ] - [ 0.0027299100000000, 0.0009388600000000, 0.0000000000000000 ] - [ -0.0054827800000000, -0.0068061800000000, 0.0000000000000000 ] - [ 0.0014383900000000, -0.0006179100000000, 0.0000000000000000 ] - [ 0.0035787600000000, -0.0023006700000000, 0.0000000000000000 ] - [ 0.0049982900000000, 0.0042261300000000, 0.0000000000000000 ] - [ 0.0015279900000000, 0.0002873000000000, 0.0000000000000000 ] - [ 0.0001790500000000, 0.0000556600000000, 0.0000000000000000 ] - [ 0.0264559600000000, -0.0212736800000000, 0.0000000000000000 ] - [ 0.0004685700000000, -0.0000102700000000, 0.0000000000000000 ] - [ 0.0007824400000000, -0.0006101800000000, 0.0000000000000000 ] - [ 0.0023474000000000, 0.0011047700000000, 0.0000000000000000 ] - [ -0.0008398300000000, -0.0001129700000000, 0.0000000000000000 ] - [ -0.0041477700000000, 0.0005117000000000, 0.0000000000000000 ] - [ 0.0056045200000000, 0.0059363000000000, 0.0000000000000000 ] - [ 0.0013931900000000, 0.0006441100000000, 0.0000000000000000 ] - [ 0.0013874400000000, 0.0009270900000000, 0.0000000000000000 ] - [ 0.0013191200000000, 0.0005390900000000, 0.0000000000000000 ] - [ 0.0032557500000000, -0.0018484200000000, 0.0000000000000000 ] - [ 0.0016488700000000, 0.0008010100000000, 0.0000000000000000 ] - [ 0.0000682600000000, -0.0008448000000000, 0.0000000000000000 ] - [ -0.0005208200000000, -0.0004866600000000, 0.0000000000000000 ] - [ 0.0038153000000000, 0.0026834300000000, 0.0000000000000000 ] - [ 0.0013850600000000, 0.0008287200000000, 0.0000000000000000 ] - [ 0.0039827100000000, 0.0030719500000000, 0.0000000000000000 ] - [ 0.0030297700000000, -0.0023612000000000, 0.0000000000000000 ] - [ -0.0007819300000000, -0.0018802100000000, 0.0000000000000000 ] - [ 0.0014006500000000, -0.0008764900000000, 0.0000000000000000 ] - [ 0.0016089100000000, 0.0005204300000000, 0.0000000000000000 ] - [ -0.0039499800000000, -0.0026773700000000, 0.0000000000000000 ] - [ -0.0018627600000000, 0.0024188600000000, 0.0000000000000000 ] - [ 0.0013262600000000, -0.0009467000000000, 0.0000000000000000 ] - [ 0.0024104700000000, -0.0013315900000000, 0.0000000000000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008500800000000, -0.0014968400000000, 0.0000000000000000 ] - [ 0.0015640000000000, -0.0097090600000000, 0.0000000000000000 ] - [ -0.0026184100000000, -0.0024884000000000, 0.0000000000000000 ] - [ -0.0027338000000000, 0.0008288400000000, 0.0000000000000000 ] - [ 0.0124304100000000, 0.0154673500000000, 0.0000000000000000 ] - [ -0.0051350400000000, -0.0062517600000000, 0.0000000000000000 ] - [ -0.0035562500000000, -0.0037008800000000, 0.0000000000000000 ] - [ 0.0039064900000000, 0.0000891100000000, 0.0000000000000000 ] - [ -0.0046972700000000, -0.0092795300000000, 0.0000000000000000 ] - [ 0.0076367200000000, -0.0076275300000000, 0.0000000000000000 ] - [ -0.0000328000000000, -0.0042135900000000, 0.0000000000000000 ] - [ -0.0127099500000000, 0.0011565300000000, 0.0000000000000000 ] - [ -0.0006139500000000, -0.0049941400000000, 0.0000000000000000 ] - [ 0.0083515900000000, -0.0120850100000000, 0.0000000000000000 ] - [ 0.0035488600000000, 0.0048147800000000, 0.0000000000000000 ] - [ -0.1858978000000000, 0.1458599500000000, 0.0000000000000000 ] - [ 0.0127426800000000, 0.0296496500000000, 0.0000000000000000 ] - [ 0.0038817500000000, -0.0020389400000000, 0.0000000000000000 ] - [ 0.0063625500000000, 0.0017395400000000, 0.0000000000000000 ] - [ 0.0026614400000000, 0.0050889500000000, 0.0000000000000000 ] - [ 0.0004752000000000, -0.0016883600000000, 0.0000000000000000 ] - [ 0.0042962200000000, -0.0003739500000000, 0.0000000000000000 ] - [ 0.0075185200000000, 0.0012311200000000, 0.0000000000000000 ] - [ -0.0237121000000000, -0.0049988100000000, 0.0000000000000000 ] - [ 0.0086368000000000, -0.0017559800000000, 0.0000000000000000 ] - [ 0.0129020300000000, -0.0149714900000000, 0.0000000000000000 ] - [ 0.0123754900000000, 0.0035903100000000, 0.0000000000000000 ] - [ 0.0025697900000000, 0.0007835300000000, 0.0000000000000000 ] - [ 0.0091486300000000, -0.0004754200000000, 0.0000000000000000 ] - [ 0.0044743700000000, -0.0043818400000000, 0.0000000000000000 ] - [ -0.0039714700000000, -0.0003072500000000, 0.0000000000000000 ] - [ 0.0030376900000000, -0.0015053500000000, 0.0000000000000000 ] - [ 0.2456968000000000, -0.1845740300000000, 0.0000000000000000 ] - [ 0.0005841500000000, -0.0004657200000000, 0.0000000000000000 ] - [ -0.0014164400000000, 0.0028362700000000, 0.0000000000000000 ] - [ -0.0002603300000000, 0.0009780800000000, 0.0000000000000000 ] - [ -0.0009505200000000, 0.0019568300000000, 0.0000000000000000 ] - [ -0.0071529000000000, 0.0080247200000000, 0.0000000000000000 ] - [ -0.0008784200000000, 0.0011555800000000, 0.0000000000000000 ] - [ -0.0004671700000000, 0.0007004300000000, 0.0000000000000000 ] - [ 0.0008848800000000, 0.0013891300000000, 0.0000000000000000 ] - [ -0.0030169100000000, -0.0008219500000000, 0.0000000000000000 ] - [ 0.0005452700000000, 0.0008911700000000, 0.0000000000000000 ] - [ 0.0013305300000000, 0.0009454400000000, 0.0000000000000000 ] - [ 0.0020485400000000, 0.0021445600000000, 0.0000000000000000 ] - [ 0.0016854600000000, -0.0000707600000000, 0.0000000000000000 ] - [ -0.0395083900000000, -0.0253733100000000, 0.0000000000000000 ] - [ -0.0038655900000000, 0.0039472300000000, 0.0000000000000000 ] - [ -0.0094675100000000, 0.0132086100000000, 0.0000000000000000 ] - [ 0.0078280200000000, -0.0083076200000000, 0.0000000000000000 ] - [ 0.0009505000000000, 0.0013144300000000, 0.0000000000000000 ] - [ -0.0024616500000000, -0.0028714900000000, 0.0000000000000000 ] - [ -0.0012847700000000, -0.0001481900000000, 0.0000000000000000 ] - [ 0.0005803500000000, 0.0004652200000000, 0.0000000000000000 ] - [ 0.0155256800000000, 0.0083110900000000, 0.0000000000000000 ] - [ 0.0055481700000000, 0.0069443200000000, 0.0000000000000000 ] - [ 0.0014037200000000, 0.0007032400000000, 0.0000000000000000 ] - [ 0.0001633400000000, 0.0008441900000000, 0.0000000000000000 ] - [ 0.0203987200000000, 0.0198429100000000, 0.0000000000000000 ] - [ -0.0257506700000000, -0.0109459300000000, 0.0000000000000000 ] - [ -0.0016752500000000, -0.0034500900000000, 0.0000000000000000 ] - [ 0.0010547500000000, 0.0030181400000000, 0.0000000000000000 ] - [ 0.0015884200000000, 0.0009795200000000, 0.0000000000000000 ] - [ 0.0033972300000000, 0.0040840200000000, 0.0000000000000000 ] - [ -0.0013306600000000, 0.0023814000000000, 0.0000000000000000 ] - [ -0.0065241200000000, -0.0044466900000000, 0.0000000000000000 ] - [ -0.0143260300000000, 0.0164819200000000, 0.0000000000000000 ] - [ 0.0021137100000000, 0.0003934500000000, 0.0000000000000000 ] - [ -0.0023008600000000, -0.0030199200000000, 0.0000000000000000 ] - [ 0.0015721300000000, -0.0019845700000000, 0.0000000000000000 ] - [ -0.0002642700000000, 0.0071295700000000, 0.0000000000000000 ] - [ -0.0007240800000000, 0.0015742600000000, 0.0000000000000000 ] - [ -0.0022160700000000, 0.0014826500000000, 0.0000000000000000 ] - [ -0.0025503800000000, 0.0006198200000000, 0.0000000000000000 ] - [ -0.0048061000000000, 0.0033389000000000, 0.0000000000000000 ] - [ -0.0026315800000000, -0.0010029000000000, 0.0000000000000000 ] - [ -0.0048850000000000, 0.0035606500000000, 0.0000000000000000 ] - [ -0.0060589000000000, 0.0051152400000000, 0.0000000000000000 ] - [ 0.0119069800000000, -0.0135307700000000, 0.0000000000000000 ] - [ -0.0030794400000000, -0.0014551400000000, 0.0000000000000000 ] - [ -0.0026587500000000, -0.0010005000000000, 0.0000000000000000 ] - [ 0.0052600900000000, 0.0070777900000000, 0.0000000000000000 ] - [ -0.0014397900000000, -0.0003480100000000, 0.0000000000000000 ] - [ -0.0033342500000000, 0.0025494700000000, 0.0000000000000000 ] - [ -0.0049722700000000, -0.0039570800000000, 0.0000000000000000 ] - [ -0.0015318500000000, -0.0004149200000000, 0.0000000000000000 ] - [ -0.0006370400000000, 0.0004106500000000, 0.0000000000000000 ] - [ -0.0268844700000000, 0.0211262100000000, 0.0000000000000000 ] - [ -0.0004690700000000, 0.0009746200000000, 0.0000000000000000 ] - [ -0.0007458200000000, 0.0003328700000000, 0.0000000000000000 ] - [ -0.0022987700000000, -0.0011935500000000, 0.0000000000000000 ] - [ 0.0007600600000000, 0.0001701300000000, 0.0000000000000000 ] - [ 0.0031920900000000, -0.0005189300000000, 0.0000000000000000 ] - [ -0.0053430700000000, -0.0059078800000000, 0.0000000000000000 ] - [ -0.0014311000000000, -0.0009211600000000, 0.0000000000000000 ] - [ -0.0016680300000000, -0.0009658300000000, 0.0000000000000000 ] - [ -0.0011946700000000, -0.0005394700000000, 0.0000000000000000 ] - [ -0.0032976300000000, 0.0021282100000000, 0.0000000000000000 ] - [ -0.0014024600000000, -0.0010480500000000, 0.0000000000000000 ] - [ 0.0002958400000000, 0.0002435600000000, 0.0000000000000000 ] - [ 0.0004671600000000, 0.0005718000000000, 0.0000000000000000 ] - [ -0.0044306100000000, -0.0023282000000000, 0.0000000000000000 ] - [ -0.0013889300000000, -0.0007012200000000, 0.0000000000000000 ] - [ -0.0043563000000000, -0.0024788100000000, 0.0000000000000000 ] - [ -0.0033162900000000, 0.0024065900000000, 0.0000000000000000 ] - [ 0.0012498800000000, 0.0014279500000000, 0.0000000000000000 ] - [ -0.0013218600000000, 0.0009354400000000, 0.0000000000000000 ] - [ -0.0017399200000000, -0.0005206500000000, 0.0000000000000000 ] - [ 0.0045720600000000, 0.0023340000000000, 0.0000000000000000 ] - [ 0.0021450200000000, -0.0024630800000000, 0.0000000000000000 ] - [ -0.0012742500000000, 0.0010333300000000, 0.0000000000000000 ] - [ -0.0014508400000000, 0.0013352200000000, 0.0000000000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003870700000000, -0.0033220000000000, 0.0000000000000000 ] - [ 0.0083115200000000, 0.0092127500000000, 0.0000000000000000 ] - [ -0.0019227500000000, -0.0045510800000000, 0.0000000000000000 ] - [ -0.0038748300000000, -0.0022600000000000, 0.0000000000000000 ] - [ 0.0018132600000000, 0.0143503700000000, 0.0000000000000000 ] - [ -0.0020591600000000, -0.0081964900000000, 0.0000000000000000 ] - [ -0.0024267000000000, -0.0058167000000000, 0.0000000000000000 ] - [ 0.0017128500000000, -0.0007740900000000, 0.0000000000000000 ] - [ -0.0015782900000000, -0.0116641500000000, 0.0000000000000000 ] - [ 0.0066738400000000, -0.0064034300000000, 0.0000000000000000 ] - [ 0.0001073500000000, -0.0058264600000000, 0.0000000000000000 ] - [ -0.0186686700000000, -0.0056204300000000, 0.0000000000000000 ] - [ 0.0006584800000000, -0.0061675400000000, 0.0000000000000000 ] - [ 0.0105376800000000, -0.0085536900000000, 0.0000000000000000 ] - [ 0.0002076400000000, 0.0036975900000000, 0.0000000000000000 ] - [ -0.1396251500000000, 0.1494952600000000, 0.0000000000000000 ] - [ 0.0052946500000000, 0.0223716500000000, 0.0000000000000000 ] - [ 0.0027278600000000, -0.0023953900000000, 0.0000000000000000 ] - [ 0.0038179200000000, 0.0018015600000000, 0.0000000000000000 ] - [ 0.0008586700000000, 0.0034390600000000, 0.0000000000000000 ] - [ 0.0001461400000000, -0.0026556400000000, 0.0000000000000000 ] - [ 0.0030297500000000, 0.0003567900000000, 0.0000000000000000 ] - [ 0.0040793600000000, 0.0022478700000000, 0.0000000000000000 ] - [ -0.0243180000000000, -0.0120298600000000, 0.0000000000000000 ] - [ 0.0057974300000000, -0.0009123900000000, 0.0000000000000000 ] - [ 0.0154223600000000, -0.0130823900000000, 0.0000000000000000 ] - [ 0.0088730400000000, 0.0053301300000000, 0.0000000000000000 ] - [ 0.0015110300000000, 0.0003356700000000, 0.0000000000000000 ] - [ 0.0061407800000000, 0.0040251600000000, 0.0000000000000000 ] - [ 0.0045201200000000, -0.0047540700000000, 0.0000000000000000 ] - [ -0.0043164300000000, -0.0027212800000000, 0.0000000000000000 ] - [ 0.0021274400000000, -0.0022961100000000, 0.0000000000000000 ] - [ 0.1849672400000000, -0.2047661200000000, 0.0000000000000000 ] - [ -0.0005067600000000, 0.0008372100000000, 0.0000000000000000 ] - [ -0.0023573400000000, 0.0039479600000000, 0.0000000000000000 ] - [ -0.0002941000000000, 0.0014260200000000, 0.0000000000000000 ] - [ -0.0014335100000000, 0.0026075800000000, 0.0000000000000000 ] - [ -0.0066071600000000, 0.0066839400000000, 0.0000000000000000 ] - [ -0.0005858900000000, 0.0013698400000000, 0.0000000000000000 ] - [ -0.0004088300000000, 0.0011905200000000, 0.0000000000000000 ] - [ 0.0007080100000000, 0.0017645800000000, 0.0000000000000000 ] - [ -0.0024319600000000, -0.0007252800000000, 0.0000000000000000 ] - [ 0.0002453800000000, 0.0012840100000000, 0.0000000000000000 ] - [ -0.0014284000000000, 0.0046455800000000, 0.0000000000000000 ] - [ 0.0025393500000000, 0.0029071000000000, 0.0000000000000000 ] - [ 0.0014902700000000, 0.0021743200000000, 0.0000000000000000 ] - [ -0.0193186300000000, -0.0303663000000000, 0.0000000000000000 ] - [ -0.0033085400000000, 0.0034137700000000, 0.0000000000000000 ] - [ -0.0146250200000000, 0.0055565800000000, 0.0000000000000000 ] - [ 0.0094145500000000, -0.0090100200000000, 0.0000000000000000 ] - [ 0.0007948200000000, 0.0017690800000000, 0.0000000000000000 ] - [ -0.0007879600000000, -0.0019652400000000, 0.0000000000000000 ] - [ -0.0009073800000000, 0.0000547700000000, 0.0000000000000000 ] - [ 0.0018739600000000, 0.0021744100000000, 0.0000000000000000 ] - [ 0.0147732600000000, 0.0247608800000000, 0.0000000000000000 ] - [ 0.0031548400000000, 0.0053497700000000, 0.0000000000000000 ] - [ 0.0018092600000000, 0.0021898900000000, 0.0000000000000000 ] - [ -0.0010386400000000, 0.0021026400000000, 0.0000000000000000 ] - [ 0.0160669500000000, 0.0300104900000000, 0.0000000000000000 ] - [ -0.0104463700000000, -0.0126004800000000, 0.0000000000000000 ] - [ -0.0000396400000000, -0.0027813400000000, 0.0000000000000000 ] - [ 0.0007420600000000, 0.0027930100000000, 0.0000000000000000 ] - [ 0.0012136400000000, 0.0018821200000000, 0.0000000000000000 ] - [ 0.0036070700000000, 0.0048279700000000, 0.0000000000000000 ] - [ -0.0025265000000000, 0.0037472500000000, 0.0000000000000000 ] - [ -0.0069647600000000, -0.0056358400000000, 0.0000000000000000 ] - [ -0.0107656700000000, 0.0137745300000000, 0.0000000000000000 ] - [ 0.0010683500000000, 0.0020983400000000, 0.0000000000000000 ] - [ -0.0007408700000000, -0.0015428100000000, 0.0000000000000000 ] - [ 0.0018223000000000, -0.0013147800000000, 0.0000000000000000 ] - [ -0.0045991900000000, 0.0049336000000000, 0.0000000000000000 ] - [ -0.0005451800000000, 0.0013037200000000, 0.0000000000000000 ] - [ -0.0019706400000000, 0.0014431800000000, 0.0000000000000000 ] - [ -0.0005763200000000, -0.0008049300000000, 0.0000000000000000 ] - [ -0.0028666200000000, 0.0018245900000000, 0.0000000000000000 ] - [ -0.0008443300000000, -0.0018040400000000, 0.0000000000000000 ] - [ 0.0001717200000000, -0.0009645300000000, 0.0000000000000000 ] - [ -0.0067962700000000, 0.0055863500000000, 0.0000000000000000 ] - [ 0.0117343700000000, -0.0115142300000000, 0.0000000000000000 ] - [ -0.0012628700000000, -0.0017858700000000, 0.0000000000000000 ] - [ -0.0017956200000000, -0.0011521900000000, 0.0000000000000000 ] - [ 0.0037726900000000, 0.0059357800000000, 0.0000000000000000 ] - [ -0.0009408400000000, -0.0004991000000000, 0.0000000000000000 ] - [ -0.0020685900000000, 0.0017276200000000, 0.0000000000000000 ] - [ -0.0034102100000000, -0.0029996700000000, 0.0000000000000000 ] - [ -0.0008747800000000, -0.0002435800000000, 0.0000000000000000 ] - [ 0.0002174800000000, 0.0013543900000000, 0.0000000000000000 ] - [ -0.0283239900000000, 0.0254591700000000, 0.0000000000000000 ] - [ -0.0003216500000000, 0.0010402600000000, 0.0000000000000000 ] - [ -0.0005128200000000, 0.0003908400000000, 0.0000000000000000 ] - [ -0.0015965800000000, -0.0013171700000000, 0.0000000000000000 ] - [ 0.0010043300000000, 0.0006198800000000, 0.0000000000000000 ] - [ 0.0030527200000000, 0.0003841900000000, 0.0000000000000000 ] - [ -0.0031399700000000, -0.0037916800000000, 0.0000000000000000 ] - [ -0.0008210700000000, -0.0004230000000000, 0.0000000000000000 ] - [ -0.0016410800000000, -0.0010566900000000, 0.0000000000000000 ] - [ -0.0004767200000000, -0.0004454800000000, 0.0000000000000000 ] - [ -0.0016927400000000, 0.0008928600000000, 0.0000000000000000 ] - [ -0.0005061700000000, -0.0002329900000000, 0.0000000000000000 ] - [ 0.0007289300000000, 0.0006586700000000, 0.0000000000000000 ] - [ 0.0007493400000000, 0.0010034500000000, 0.0000000000000000 ] - [ -0.0056893600000000, -0.0040945100000000, 0.0000000000000000 ] - [ -0.0007923900000000, -0.0006949500000000, 0.0000000000000000 ] - [ -0.0029683900000000, -0.0017570400000000, 0.0000000000000000 ] - [ -0.0019301100000000, 0.0010799800000000, 0.0000000000000000 ] - [ 0.0015194200000000, 0.0018124800000000, 0.0000000000000000 ] - [ -0.0012962400000000, 0.0009994700000000, 0.0000000000000000 ] - [ -0.0011955500000000, -0.0004490200000000, 0.0000000000000000 ] - [ 0.0056956600000000, 0.0039610200000000, 0.0000000000000000 ] - [ 0.0019374800000000, -0.0018780100000000, 0.0000000000000000 ] - [ -0.0012331100000000, 0.0012132100000000, 0.0000000000000000 ] - [ -0.0018542400000000, 0.0009873800000000, 0.0000000000000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003771100000000, 0.0035553000000000, 0.0000000000000000 ] - [ -0.0095836000000000, -0.0065461100000000, 0.0000000000000000 ] - [ 0.0019148400000000, 0.0043066700000000, 0.0000000000000000 ] - [ 0.0036409000000000, 0.0022402800000000, 0.0000000000000000 ] - [ -0.0015795200000000, -0.0142863800000000, 0.0000000000000000 ] - [ 0.0022541500000000, 0.0081397000000000, 0.0000000000000000 ] - [ 0.0021470100000000, 0.0057643300000000, 0.0000000000000000 ] - [ -0.0034244800000000, 0.0007621500000000, 0.0000000000000000 ] - [ 0.0016036300000000, 0.0098521500000000, 0.0000000000000000 ] - [ -0.0049189100000000, 0.0063601500000000, 0.0000000000000000 ] - [ 0.0001600800000000, 0.0057754800000000, 0.0000000000000000 ] - [ 0.0185979600000000, 0.0057314000000000, 0.0000000000000000 ] - [ -0.0006493900000000, 0.0063855200000000, 0.0000000000000000 ] - [ -0.0104958000000000, 0.0082417300000000, 0.0000000000000000 ] - [ -0.0002184100000000, -0.0039415600000000, 0.0000000000000000 ] - [ 0.1466108600000000, -0.1535816700000000, 0.0000000000000000 ] - [ -0.0051805600000000, -0.0218906200000000, 0.0000000000000000 ] - [ -0.0027136100000000, 0.0040988500000000, 0.0000000000000000 ] - [ -0.0037845300000000, -0.0019958500000000, 0.0000000000000000 ] - [ -0.0010547800000000, -0.0033963600000000, 0.0000000000000000 ] - [ 0.0001089200000000, 0.0026498100000000, 0.0000000000000000 ] - [ -0.0027965800000000, -0.0003482100000000, 0.0000000000000000 ] - [ -0.0043090400000000, -0.0022451400000000, 0.0000000000000000 ] - [ 0.0223693700000000, 0.0119122700000000, 0.0000000000000000 ] - [ -0.0057578900000000, -0.0008251200000000, 0.0000000000000000 ] - [ -0.0135948200000000, 0.0130277400000000, 0.0000000000000000 ] - [ -0.0085441500000000, -0.0053268100000000, 0.0000000000000000 ] - [ -0.0015011000000000, -0.0001167200000000, 0.0000000000000000 ] - [ -0.0060976400000000, -0.0037329200000000, 0.0000000000000000 ] - [ -0.0044750700000000, 0.0044706500000000, 0.0000000000000000 ] - [ 0.0042616200000000, 0.0024484600000000, 0.0000000000000000 ] - [ -0.0023684400000000, 0.0022924700000000, 0.0000000000000000 ] - [ -0.1908656200000000, 0.2068405600000000, 0.0000000000000000 ] - [ 0.0000462700000000, -0.0012960900000000, 0.0000000000000000 ] - [ 0.0026935700000000, -0.0033146100000000, 0.0000000000000000 ] - [ 0.0002335900000000, -0.0014995400000000, 0.0000000000000000 ] - [ 0.0018868300000000, -0.0021318600000000, 0.0000000000000000 ] - [ 0.0059801800000000, -0.0070138200000000, 0.0000000000000000 ] - [ 0.0011786300000000, -0.0009942000000000, 0.0000000000000000 ] - [ 0.0003199900000000, -0.0012380800000000, 0.0000000000000000 ] - [ -0.0006183800000000, -0.0018074000000000, 0.0000000000000000 ] - [ 0.0021778600000000, 0.0009726300000000, 0.0000000000000000 ] - [ -0.0002460300000000, -0.0022356700000000, 0.0000000000000000 ] - [ 0.0016241100000000, -0.0043364500000000, 0.0000000000000000 ] - [ -0.0024794500000000, -0.0026117500000000, 0.0000000000000000 ] - [ -0.0014811300000000, -0.0022827600000000, 0.0000000000000000 ] - [ 0.0186083200000000, 0.0308604100000000, 0.0000000000000000 ] - [ 0.0030440200000000, -0.0036375800000000, 0.0000000000000000 ] - [ 0.0144921700000000, -0.0046678700000000, 0.0000000000000000 ] - [ -0.0093343500000000, 0.0087359000000000, 0.0000000000000000 ] - [ -0.0007318300000000, -0.0018395200000000, 0.0000000000000000 ] - [ 0.0006976900000000, 0.0020102000000000, 0.0000000000000000 ] - [ -0.0000611200000000, -0.0000522800000000, 0.0000000000000000 ] - [ -0.0015847600000000, -0.0021137000000000, 0.0000000000000000 ] - [ -0.0147821100000000, -0.0251611400000000, 0.0000000000000000 ] - [ -0.0034077600000000, -0.0053530500000000, 0.0000000000000000 ] - [ -0.0016692000000000, -0.0021724700000000, 0.0000000000000000 ] - [ 0.0009858600000000, -0.0018090100000000, 0.0000000000000000 ] - [ -0.0155829900000000, -0.0296943600000000, 0.0000000000000000 ] - [ 0.0107722700000000, 0.0119195000000000, 0.0000000000000000 ] - [ -0.0000107200000000, 0.0028486600000000, 0.0000000000000000 ] - [ -0.0013359500000000, -0.0024091200000000, 0.0000000000000000 ] - [ -0.0012063200000000, -0.0017373900000000, 0.0000000000000000 ] - [ -0.0039410300000000, -0.0041901000000000, 0.0000000000000000 ] - [ 0.0022329800000000, -0.0036774200000000, 0.0000000000000000 ] - [ 0.0074005400000000, 0.0051627400000000, 0.0000000000000000 ] - [ 0.0108145300000000, -0.0137563800000000, 0.0000000000000000 ] - [ -0.0011920400000000, -0.0020849100000000, 0.0000000000000000 ] - [ 0.0013375800000000, 0.0011738900000000, 0.0000000000000000 ] - [ -0.0015364600000000, 0.0012666300000000, 0.0000000000000000 ] - [ 0.0046238400000000, -0.0048293400000000, 0.0000000000000000 ] - [ 0.0015050700000000, -0.0012954100000000, 0.0000000000000000 ] - [ 0.0015953400000000, -0.0020348300000000, 0.0000000000000000 ] - [ 0.0001089300000000, 0.0003405100000000, 0.0000000000000000 ] - [ 0.0032036300000000, -0.0012060300000000, 0.0000000000000000 ] - [ 0.0007663200000000, 0.0017148800000000, 0.0000000000000000 ] - [ 0.0002981900000000, 0.0014138000000000, 0.0000000000000000 ] - [ 0.0061495800000000, -0.0059118600000000, 0.0000000000000000 ] - [ -0.0110527100000000, 0.0117593600000000, 0.0000000000000000 ] - [ 0.0011556200000000, 0.0017178200000000, 0.0000000000000000 ] - [ 0.0018652100000000, 0.0010860700000000, 0.0000000000000000 ] - [ -0.0040037900000000, -0.0056700800000000, 0.0000000000000000 ] - [ 0.0009347600000000, -0.0004652600000000, 0.0000000000000000 ] - [ 0.0022980500000000, -0.0014672800000000, 0.0000000000000000 ] - [ 0.0034253100000000, 0.0032511700000000, 0.0000000000000000 ] - [ 0.0008669900000000, 0.0001086300000000, 0.0000000000000000 ] - [ -0.0006789500000000, -0.0008868600000000, 0.0000000000000000 ] - [ 0.0278571400000000, -0.0254245300000000, 0.0000000000000000 ] - [ 0.0003198700000000, -0.0000718400000000, 0.0000000000000000 ] - [ 0.0005571300000000, -0.0006677400000000, 0.0000000000000000 ] - [ 0.0016413000000000, 0.0012236700000000, 0.0000000000000000 ] - [ -0.0010780000000000, -0.0005609800000000, 0.0000000000000000 ] - [ -0.0039845800000000, -0.0003945900000000, 0.0000000000000000 ] - [ 0.0033797900000000, 0.0037992000000000, 0.0000000000000000 ] - [ 0.0007701700000000, 0.0001434200000000, 0.0000000000000000 ] - [ 0.0013506800000000, 0.0009999400000000, 0.0000000000000000 ] - [ 0.0006005700000000, 0.0004404400000000, 0.0000000000000000 ] - [ 0.0016355700000000, -0.0006103900000000, 0.0000000000000000 ] - [ 0.0007507000000000, -0.0000100600000000, 0.0000000000000000 ] - [ -0.0003597900000000, -0.0012541300000000, 0.0000000000000000 ] - [ -0.0007979700000000, -0.0009136500000000, 0.0000000000000000 ] - [ 0.0050503400000000, 0.0044266200000000, 0.0000000000000000 ] - [ 0.0007853600000000, 0.0008193400000000, 0.0000000000000000 ] - [ 0.0025854700000000, 0.0023450800000000, 0.0000000000000000 ] - [ 0.0016433500000000, -0.0010307500000000, 0.0000000000000000 ] - [ -0.0010525000000000, -0.0022647200000000, 0.0000000000000000 ] - [ 0.0013699700000000, -0.0009371300000000, 0.0000000000000000 ] - [ 0.0010575200000000, 0.0004437900000000, 0.0000000000000000 ] - [ -0.0050431800000000, -0.0042826500000000, 0.0000000000000000 ] - [ -0.0016405800000000, 0.0018083300000000, 0.0000000000000000 ] - [ 0.0012791600000000, -0.0011207600000000, 0.0000000000000000 ] - [ 0.0028032000000000, -0.0009854200000000, 0.0000000000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000022000000000, 0.0001260200000000, -0.0000001100000000 ] - [ 0.0001406800000000, 0.0006744300000000, -0.0044983000000000 ] - [ -0.0000012900000000, -0.0000997500000000, 0.0000007500000000 ] - [ -0.0000994800000000, 0.0000024100000000, -0.0000037300000000 ] - [ 0.0001361000000000, 0.0000051900000000, 0.0000701300000000 ] - [ 0.0000929300000000, -0.0000030900000000, 0.0000165900000000 ] - [ -0.0001273500000000, -0.0000010400000000, -0.0000006300000000 ] - [ -0.0008552100000000, 0.0000009400000000, 0.0000003600000000 ] - [ 0.0000052900000000, -0.0008639700000000, 0.0000018600000000 ] - [ 0.0008634900000000, -0.0000053300000000, 0.0000130600000000 ] - [ 0.0001260600000000, 0.0000008200000000, -0.0000001500000000 ] - [ -0.0000111500000000, 0.0001017500000000, 0.0003283600000000 ] - [ -0.0000020900000000, 0.0001232000000000, -0.0000005000000000 ] - [ -0.0000045700000000, -0.0001183200000000, 0.0004389000000000 ] - [ 0.0000059000000000, -0.0001222800000000, 0.0000018000000000 ] - [ -0.0008424200000000, 0.0006218500000000, 0.0186090300000000 ] - [ 0.0000103900000000, 0.0001470100000000, 0.0005604500000000 ] - [ 0.0000021800000000, 0.0008573600000000, -0.0000016800000000 ] - [ 0.0000031400000000, -0.0000977500000000, -0.0000031300000000 ] - [ -0.0000978200000000, 0.0000028300000000, -0.0000117900000000 ] - [ 0.0001262400000000, -0.0000030200000000, -0.0000003800000000 ] - [ 0.0001001700000000, -0.0000006700000000, -0.0000004000000000 ] - [ -0.0001209800000000, 0.0000008800000000, -0.0000005000000000 ] - [ -0.0008753800000000, -0.0000115100000000, 0.0000535700000000 ] - [ 0.0000059600000000, -0.0008588700000000, 0.0000005800000000 ] - [ 0.0008594900000000, 0.0000011100000000, -0.0000300700000000 ] - [ 0.0001341400000000, 0.0000074600000000, -0.0000282500000000 ] - [ 0.0000005900000000, 0.0000990300000000, -0.0000004600000000 ] - [ 0.0000033200000000, 0.0001219600000000, 0.0000028500000000 ] - [ -0.0000009000000000, -0.0001255000000000, 0.0000020800000000 ] - [ -0.0000022000000000, -0.0001278900000000, 0.0000007500000000 ] - [ -0.0001248400000000, -0.0000014900000000, -0.0000011200000000 ] - [ 0.0004394400000000, -0.0007975000000000, -0.0355099500000000 ] - [ -0.0002328300000000, -0.0002326400000000, 0.0000000100000000 ] - [ 0.0001810900000000, 0.0003011600000000, 0.0000000500000000 ] - [ -0.0000285600000000, -0.0000435300000000, 0.0000005600000000 ] - [ 0.0002320400000000, 0.0002343200000000, -0.0000002400000000 ] - [ -0.0003025600000000, -0.0001819400000000, -0.0000537100000000 ] - [ 0.0002987600000000, 0.0001835300000000, -0.0000001100000000 ] - [ -0.0000438000000000, -0.0000284100000000, 0.0000011500000000 ] - [ 0.0000439500000000, -0.0000267100000000, 0.0000004900000000 ] - [ -0.0001241000000000, 0.0001218600000000, -0.0000004400000000 ] - [ -0.0000003200000000, -0.0004817900000000, -0.0000012400000000 ] - [ 0.0001177400000000, 0.0001275400000000, 0.0000237900000000 ] - [ 0.0000262500000000, 0.0001392000000000, -0.0000003600000000 ] - [ 0.0000007500000000, -0.0000665000000000, -0.0001573700000000 ] - [ -0.0002738100000000, 0.0002001100000000, -0.0024292400000000 ] - [ -0.0001243000000000, -0.0001198400000000, -0.0000006200000000 ] - [ -0.0001556600000000, 0.0006233300000000, 0.0232481200000000 ] - [ 0.0000288800000000, -0.0001415300000000, -0.0001678200000000 ] - [ 0.0000290800000000, -0.0000419000000000, -0.0000009200000000 ] - [ -0.0000451200000000, 0.0000263400000000, -0.0000077000000000 ] - [ -0.0004830500000000, 0.0000001800000000, -0.0000004100000000 ] - [ 0.0001382300000000, 0.0000247900000000, 0.0000009000000000 ] - [ -0.0000087200000000, -0.0001103300000000, -0.0020507600000000 ] - [ -0.0001313400000000, -0.0000193100000000, -0.0000616500000000 ] - [ 0.0000648100000000, -0.0000005600000000, 0.0000050700000000 ] - [ -0.0000246100000000, 0.0001392800000000, 0.0000002500000000 ] - [ 0.0001345000000000, -0.0001153200000000, -0.0011836300000000 ] - [ 0.0001893400000000, -0.0003080900000000, -0.0009094200000000 ] - [ -0.0000300600000000, 0.0000395100000000, -0.0000002000000000 ] - [ -0.0002999600000000, 0.0001841400000000, -0.0000005500000000 ] - [ 0.0000008900000000, 0.0000641300000000, -0.0000038500000000 ] - [ -0.0001812000000000, 0.0003018000000000, 0.0000006500000000 ] - [ -0.0001378700000000, 0.0000254800000000, 0.0000023600000000 ] - [ 0.0002264500000000, -0.0002397900000000, -0.0000949400000000 ] - [ 0.0000137000000000, 0.0000575600000000, 0.0006554700000000 ] - [ -0.0000624400000000, -0.0000004100000000, 0.0000093800000000 ] - [ 0.0002971900000000, -0.0001851800000000, 0.0000001000000000 ] - [ 0.0001393700000000, -0.0000268500000000, -0.0000019700000000 ] - [ 0.0001275100000000, -0.0000398300000000, 0.0015205500000000 ] - [ 0.0004813200000000, 0.0000016700000000, 0.0000098900000000 ] - [ -0.0001825100000000, -0.0003003500000000, 0.0000013300000000 ] - [ -0.0002366000000000, -0.0002314700000000, 0.0000000000000000 ] - [ 0.0001793800000000, 0.0003017600000000, 0.0000160200000000 ] - [ -0.0000293400000000, -0.0000450900000000, 0.0000547100000000 ] - [ 0.0002285400000000, 0.0002359500000000, 0.0000154400000000 ] - [ -0.0002965200000000, -0.0001845300000000, 0.0000375200000000 ] - [ 0.0003074700000000, 0.0001711700000000, -0.0002991000000000 ] - [ -0.0000419100000000, -0.0000294300000000, -0.0004631000000000 ] - [ 0.0000404500000000, -0.0000292200000000, 0.0000010100000000 ] - [ -0.0001251000000000, 0.0001204500000000, 0.0000043600000000 ] - [ -0.0000008800000000, -0.0004824300000000, 0.0000000500000000 ] - [ 0.0001201200000000, 0.0001243400000000, -0.0000004400000000 ] - [ 0.0000212700000000, 0.0001345000000000, -0.0000076600000000 ] - [ -0.0000002200000000, -0.0000647300000000, 0.0000008200000000 ] - [ -0.0002337400000000, 0.0002318900000000, 0.0000002000000000 ] - [ -0.0000786200000000, -0.0001478500000000, 0.0020187900000000 ] - [ -0.0000000600000000, 0.0004822300000000, 0.0000001200000000 ] - [ 0.0000237900000000, -0.0001371800000000, -0.0000000300000000 ] - [ 0.0000263700000000, -0.0000437200000000, 0.0000001900000000 ] - [ -0.0000416500000000, 0.0000280800000000, -0.0000004800000000 ] - [ -0.0004789600000000, 0.0000013600000000, -0.0000190400000000 ] - [ 0.0001339000000000, 0.0000210600000000, 0.0000541300000000 ] - [ -0.0000239800000000, -0.0001371300000000, -0.0000003400000000 ] - [ -0.0001375700000000, -0.0000243900000000, 0.0000000900000000 ] - [ 0.0000638600000000, -0.0000002100000000, 0.0000030800000000 ] - [ -0.0000253300000000, 0.0001381800000000, 0.0000012200000000 ] - [ 0.0001211400000000, -0.0001232900000000, -0.0000002100000000 ] - [ 0.0001823300000000, -0.0003004700000000, -0.0000002000000000 ] - [ -0.0000274700000000, 0.0000428900000000, 0.0000009200000000 ] - [ -0.0003004700000000, 0.0001849000000000, -0.0000089100000000 ] - [ -0.0000001300000000, 0.0000643000000000, 0.0000007100000000 ] - [ -0.0001852800000000, 0.0002979000000000, 0.0000002000000000 ] - [ -0.0001393400000000, 0.0000257200000000, -0.0000003700000000 ] - [ 0.0002325100000000, -0.0002334600000000, -0.0000002800000000 ] - [ 0.0000428500000000, 0.0000282500000000, -0.0000011000000000 ] - [ -0.0000643000000000, -0.0000003400000000, 0.0000000700000000 ] - [ 0.0003051600000000, -0.0001797700000000, -0.0000086400000000 ] - [ 0.0001384800000000, -0.0000258600000000, 0.0000038900000000 ] - [ 0.0000276800000000, 0.0000432900000000, -0.0000000600000000 ] - [ 0.0004811500000000, 0.0000009300000000, 0.0002335000000000 ]- atom: 34 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0069377000000000, -0.0007417200000000, 0.0000000000000000 ] - [ 0.0058146800000000, 0.0021093900000000, 0.0000000000000000 ] - [ -0.0143714200000000, 0.0109102500000000, 0.0000000000000000 ] - [ -0.0044969200000000, 0.0049103500000000, 0.0000000000000000 ] - [ -0.0011982500000000, 0.0028662900000000, 0.0000000000000000 ] - [ 0.0024907400000000, 0.0086739600000000, 0.0000000000000000 ] - [ 0.0786584000000000, -0.0514169500000000, 0.0000000000000000 ] - [ -0.0047991900000000, -0.0001088700000000, 0.0000000000000000 ] - [ -0.0123906400000000, -0.0313922400000000, 0.0000000000000000 ] - [ 0.0059265100000000, 0.0011102300000000, 0.0000000000000000 ] - [ -0.0125956100000000, -0.0037825400000000, 0.0000000000000000 ] - [ 0.0004266400000000, 0.0050197100000000, 0.0000000000000000 ] - [ 0.0282594500000000, 0.0010279400000000, 0.0000000000000000 ] - [ 0.0044243200000000, 0.0060935000000000, 0.0000000000000000 ] - [ -0.0037947100000000, 0.0032876900000000, 0.0000000000000000 ] - [ 0.0047635000000000, 0.0057472400000000, 0.0000000000000000 ] - [ 0.0047881200000000, 0.0106979200000000, 0.0000000000000000 ] - [ -0.0047957000000000, -0.0058926500000000, 0.0000000000000000 ] - [ -0.0044640600000000, 0.0040698200000000, 0.0000000000000000 ] - [ -0.0093212000000000, 0.0138378400000000, 0.0000000000000000 ] - [ -0.0072244300000000, -0.0240067400000000, 0.0000000000000000 ] - [ -0.0052187500000000, 0.0002136800000000, 0.0000000000000000 ] - [ -0.0039856700000000, 0.0031161100000000, 0.0000000000000000 ] - [ 0.0281609700000000, 0.0079604800000000, 0.0000000000000000 ] - [ -0.0007531500000000, 0.0013552200000000, 0.0000000000000000 ] - [ -0.0023954100000000, -0.0067412100000000, 0.0000000000000000 ] - [ 0.0013353600000000, 0.0055017800000000, 0.0000000000000000 ] - [ -0.0101757700000000, 0.0000760800000000, 0.0000000000000000 ] - [ -0.0036391200000000, 0.0010248200000000, 0.0000000000000000 ] - [ -0.0073285300000000, -0.0047275800000000, 0.0000000000000000 ] - [ 0.0675173100000000, -0.0486620100000000, 0.0000000000000000 ] - [ -0.0085652400000000, -0.0039168400000000, 0.0000000000000000 ] - [ -0.0009937000000000, -0.0005815100000000, 0.0000000000000000 ] - [ -0.2038399000000000, 0.1623309900000000, 0.0000000000000000 ] - [ 0.0052641800000000, 0.0002454200000000, 0.0000000000000000 ] - [ 0.0025855600000000, -0.0002483300000000, 0.0000000000000000 ] - [ -0.0155308200000000, 0.0184254500000000, 0.0000000000000000 ] - [ -0.0008697000000000, -0.0010400100000000, 0.0000000000000000 ] - [ 0.0026610600000000, -0.0015325300000000, 0.0000000000000000 ] - [ 0.0024350200000000, -0.0006842100000000, 0.0000000000000000 ] - [ -0.0107914600000000, -0.0062889100000000, 0.0000000000000000 ] - [ -0.0012571200000000, -0.0012202700000000, 0.0000000000000000 ] - [ 0.0030362100000000, 0.0041192500000000, 0.0000000000000000 ] - [ -0.0155080400000000, 0.0160703500000000, 0.0000000000000000 ] - [ 0.0071187600000000, 0.0051375700000000, 0.0000000000000000 ] - [ 0.0003210900000000, -0.0022220200000000, 0.0000000000000000 ] - [ -0.0053345400000000, -0.0054362800000000, 0.0000000000000000 ] - [ -0.0024916600000000, 0.0027227300000000, 0.0000000000000000 ] - [ -0.0006174500000000, 0.0002187200000000, 0.0000000000000000 ] - [ 0.0015895600000000, -0.0020391300000000, 0.0000000000000000 ] - [ -0.0084643600000000, -0.0187593000000000, 0.0000000000000000 ] - [ 0.0005360500000000, -0.0007080800000000, 0.0000000000000000 ] - [ 0.0002084600000000, -0.0001104100000000, 0.0000000000000000 ] - [ 0.0021037400000000, 0.0004317200000000, 0.0000000000000000 ] - [ -0.0026560000000000, -0.0031826800000000, 0.0000000000000000 ] - [ -0.0040464300000000, -0.0049515800000000, 0.0000000000000000 ] - [ 0.0019114200000000, -0.0038569200000000, 0.0000000000000000 ] - [ 0.0241245400000000, -0.0277043900000000, 0.0000000000000000 ] - [ -0.0060466100000000, -0.0054323700000000, 0.0000000000000000 ] - [ -0.0008369100000000, -0.0015898300000000, 0.0000000000000000 ] - [ 0.0003160300000000, -0.0006269500000000, 0.0000000000000000 ] - [ -0.0056978200000000, -0.0040324300000000, 0.0000000000000000 ] - [ 0.0006577900000000, -0.0043682700000000, 0.0000000000000000 ] - [ 0.0389301200000000, 0.0191372700000000, 0.0000000000000000 ] - [ -0.0015200400000000, -0.0029962700000000, 0.0000000000000000 ] - [ -0.0030657700000000, -0.0040916200000000, 0.0000000000000000 ] - [ -0.0005724300000000, -0.0013051200000000, 0.0000000000000000 ] - [ -0.0006818000000000, -0.0030830200000000, 0.0000000000000000 ] - [ 0.0014152000000000, -0.0000070700000000, 0.0000000000000000 ] - [ 0.0031438000000000, -0.0035301100000000, 0.0000000000000000 ] - [ -0.0003831300000000, -0.0014342500000000, 0.0000000000000000 ] - [ -0.0004462500000000, -0.0004281400000000, 0.0000000000000000 ] - [ 0.0021304200000000, -0.0006379600000000, 0.0000000000000000 ] - [ 0.0023091100000000, -0.0027102700000000, 0.0000000000000000 ] - [ 0.0013587300000000, -0.0013610800000000, 0.0000000000000000 ] - [ 0.0002883500000000, -0.0020061400000000, 0.0000000000000000 ] - [ 0.0015782900000000, -0.0010492300000000, 0.0000000000000000 ] - [ 0.0007633000000000, 0.0000575500000000, 0.0000000000000000 ] - [ -0.0008826300000000, -0.0031410900000000, 0.0000000000000000 ] - [ -0.0002172300000000, -0.0021412100000000, 0.0000000000000000 ] - [ 0.0009349200000000, -0.0002237200000000, 0.0000000000000000 ] - [ 0.0069851200000000, 0.0077644600000000, 0.0000000000000000 ] - [ 0.0001854300000000, -0.0008804300000000, 0.0000000000000000 ] - [ 0.0010851600000000, -0.0006993000000000, 0.0000000000000000 ] - [ -0.0003779000000000, -0.0015955500000000, 0.0000000000000000 ] - [ 0.0028345800000000, -0.0003520300000000, 0.0000000000000000 ] - [ 0.0045023000000000, 0.0040870100000000, 0.0000000000000000 ] - [ -0.0033093600000000, 0.0032899500000000, 0.0000000000000000 ] - [ 0.0011128000000000, 0.0016983100000000, 0.0000000000000000 ] - [ 0.0056535400000000, -0.0018900100000000, 0.0000000000000000 ] - [ 0.0009258300000000, -0.0004132900000000, 0.0000000000000000 ] - [ 0.0168823800000000, -0.0008683500000000, 0.0000000000000000 ] - [ -0.0049967700000000, -0.0022355100000000, 0.0000000000000000 ] - [ -0.0048029000000000, -0.0069048600000000, 0.0000000000000000 ] - [ 0.0055022600000000, 0.0040238000000000, 0.0000000000000000 ] - [ 0.0032146500000000, 0.0026373400000000, 0.0000000000000000 ] - [ 0.0037829800000000, -0.0009941300000000, 0.0000000000000000 ] - [ 0.0032684900000000, -0.0026606500000000, 0.0000000000000000 ] - [ 0.0031175300000000, 0.0023863700000000, 0.0000000000000000 ] - [ 0.0069185000000000, 0.0068820700000000, 0.0000000000000000 ] - [ 0.0140888000000000, 0.0079031500000000, 0.0000000000000000 ] - [ 0.0017307200000000, 0.0018297800000000, 0.0000000000000000 ] - [ 0.0032997200000000, -0.0016698900000000, 0.0000000000000000 ] - [ 0.0002220500000000, -0.0001519700000000, 0.0000000000000000 ] - [ 0.0020440400000000, -0.0018436200000000, 0.0000000000000000 ] - [ 0.0068283400000000, 0.0054307800000000, 0.0000000000000000 ] - [ 0.0020874600000000, 0.0001214900000000, 0.0000000000000000 ] - [ 0.0022165900000000, -0.0008010800000000, 0.0000000000000000 ] - [ -0.0304697400000000, -0.0258306100000000, 0.0000000000000000 ] - [ 0.0234018500000000, -0.0196626300000000, 0.0000000000000000 ] - [ 0.0019013600000000, 0.0003380900000000, 0.0000000000000000 ] - [ 0.0010797700000000, 0.0007060300000000, 0.0000000000000000 ]- atom: 34 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0069622000000000, 0.0009864700000000, 0.0000000000000000 ] - [ -0.0058283500000000, -0.0003694200000000, 0.0000000000000000 ] - [ 0.0143572500000000, -0.0111257000000000, 0.0000000000000000 ] - [ 0.0042971500000000, -0.0049236700000000, 0.0000000000000000 ] - [ 0.0014571400000000, -0.0028613400000000, 0.0000000000000000 ] - [ -0.0023154500000000, -0.0086725400000000, 0.0000000000000000 ] - [ -0.0825039500000000, 0.0555644600000000, 0.0000000000000000 ] - [ 0.0030993500000000, 0.0001089200000000, 0.0000000000000000 ] - [ 0.0124892100000000, 0.0299183400000000, 0.0000000000000000 ] - [ -0.0041958200000000, -0.0010893000000000, 0.0000000000000000 ] - [ 0.0128999600000000, 0.0037674600000000, 0.0000000000000000 ] - [ -0.0004366000000000, -0.0048218700000000, 0.0000000000000000 ] - [ -0.0283623200000000, -0.0007145100000000, 0.0000000000000000 ] - [ -0.0044364200000000, -0.0063454100000000, 0.0000000000000000 ] - [ 0.0038070300000000, -0.0035454200000000, 0.0000000000000000 ] - [ -0.0050385500000000, -0.0057488900000000, 0.0000000000000000 ] - [ -0.0048002100000000, -0.0104592500000000, 0.0000000000000000 ] - [ 0.0048263800000000, 0.0076238800000000, 0.0000000000000000 ] - [ 0.0044766600000000, -0.0042811700000000, 0.0000000000000000 ] - [ 0.0091573800000000, -0.0138842200000000, 0.0000000000000000 ] - [ 0.0076001600000000, 0.0239516200000000, 0.0000000000000000 ] - [ 0.0054388000000000, -0.0002127200000000, 0.0000000000000000 ] - [ 0.0037458200000000, -0.0031166800000000, 0.0000000000000000 ] - [ -0.0299258600000000, -0.0079455800000000, 0.0000000000000000 ] - [ 0.0007654600000000, -0.0030703700000000, 0.0000000000000000 ] - [ 0.0041447100000000, 0.0067819900000000, 0.0000000000000000 ] - [ -0.0010814200000000, -0.0055035200000000, 0.0000000000000000 ] - [ 0.0102086300000000, 0.0001194400000000, 0.0000000000000000 ] - [ 0.0036544900000000, -0.0007618000000000, 0.0000000000000000 ] - [ 0.0073576900000000, 0.0044833300000000, 0.0000000000000000 ] - [ -0.0651609800000000, 0.0450489100000000, 0.0000000000000000 ] - [ 0.0083424100000000, 0.0039172600000000, 0.0000000000000000 ] - [ 0.0006399200000000, -0.0000311900000000, 0.0000000000000000 ] - [ 0.2051809200000000, -0.1635528300000000, 0.0000000000000000 ] - [ -0.0049557500000000, 0.0003765100000000, 0.0000000000000000 ] - [ -0.0026519800000000, 0.0001688700000000, 0.0000000000000000 ] - [ 0.0159748500000000, -0.0179886000000000, 0.0000000000000000 ] - [ 0.0002736400000000, 0.0006675800000000, 0.0000000000000000 ] - [ -0.0020742300000000, 0.0019107400000000, 0.0000000000000000 ] - [ -0.0025328500000000, 0.0006344400000000, 0.0000000000000000 ] - [ 0.0109054800000000, 0.0061571800000000, 0.0000000000000000 ] - [ 0.0010052200000000, 0.0014564300000000, 0.0000000000000000 ] - [ -0.0030393600000000, -0.0050974600000000, 0.0000000000000000 ] - [ 0.0158327900000000, -0.0158934300000000, 0.0000000000000000 ] - [ -0.0070727200000000, -0.0048613400000000, 0.0000000000000000 ] - [ -0.0003163100000000, 0.0020923600000000, 0.0000000000000000 ] - [ 0.0048796100000000, 0.0059084700000000, 0.0000000000000000 ] - [ 0.0022425600000000, -0.0029686500000000, 0.0000000000000000 ] - [ 0.0006205100000000, 0.0007432400000000, 0.0000000000000000 ] - [ -0.0015368400000000, 0.0017646800000000, 0.0000000000000000 ] - [ 0.0087574000000000, 0.0187047200000000, 0.0000000000000000 ] - [ -0.0006257800000000, 0.0007641500000000, 0.0000000000000000 ] - [ -0.0011770000000000, 0.0001114500000000, 0.0000000000000000 ] - [ -0.0018286900000000, -0.0003769700000000, 0.0000000000000000 ] - [ 0.0026130700000000, 0.0029150500000000, 0.0000000000000000 ] - [ 0.0037788900000000, 0.0049065500000000, 0.0000000000000000 ] - [ -0.0017805500000000, 0.0038655600000000, 0.0000000000000000 ] - [ -0.0242859700000000, 0.0281199500000000, 0.0000000000000000 ] - [ 0.0062821000000000, 0.0051824100000000, 0.0000000000000000 ] - [ 0.0011973100000000, 0.0009797000000000, 0.0000000000000000 ] - [ -0.0003741300000000, 0.0007102300000000, 0.0000000000000000 ] - [ 0.0050985400000000, 0.0043929500000000, 0.0000000000000000 ] - [ -0.0006543600000000, 0.0045102700000000, 0.0000000000000000 ] - [ -0.0399414500000000, -0.0187834600000000, 0.0000000000000000 ] - [ 0.0012715200000000, 0.0030303700000000, 0.0000000000000000 ] - [ 0.0035316200000000, 0.0036284100000000, 0.0000000000000000 ] - [ 0.0006618700000000, 0.0013596400000000, 0.0000000000000000 ] - [ 0.0005593300000000, 0.0030877600000000, 0.0000000000000000 ] - [ -0.0008218000000000, -0.0003622300000000, 0.0000000000000000 ] - [ -0.0028735000000000, 0.0034859800000000, 0.0000000000000000 ] - [ 0.0004422800000000, 0.0015178800000000, 0.0000000000000000 ] - [ 0.0014086200000000, 0.0004234900000000, 0.0000000000000000 ] - [ -0.0025106400000000, 0.0000446100000000, 0.0000000000000000 ] - [ -0.0027814100000000, 0.0022514100000000, 0.0000000000000000 ] - [ -0.0009946800000000, 0.0019620900000000, 0.0000000000000000 ] - [ -0.0003435200000000, 0.0019209900000000, 0.0000000000000000 ] - [ -0.0011145500000000, 0.0015104900000000, 0.0000000000000000 ] - [ -0.0013722700000000, -0.0004195200000000, 0.0000000000000000 ] - [ 0.0014991500000000, 0.0035062100000000, 0.0000000000000000 ] - [ 0.0001342700000000, 0.0020880800000000, 0.0000000000000000 ] - [ -0.0008554200000000, 0.0001640000000000, 0.0000000000000000 ] - [ -0.0072798000000000, -0.0075826500000000, 0.0000000000000000 ] - [ -0.0001867500000000, -0.0000852500000000, 0.0000000000000000 ] - [ -0.0008472500000000, 0.0009486100000000, 0.0000000000000000 ] - [ 0.0004267200000000, 0.0018716800000000, 0.0000000000000000 ] - [ -0.0028427400000000, 0.0002218900000000, 0.0000000000000000 ] - [ -0.0049808800000000, -0.0036333000000000, 0.0000000000000000 ] - [ 0.0030823100000000, -0.0035489600000000, 0.0000000000000000 ] - [ -0.0011185000000000, -0.0007363000000000, 0.0000000000000000 ] - [ -0.0056312700000000, 0.0016314600000000, 0.0000000000000000 ] - [ -0.0008753300000000, 0.0003240900000000, 0.0000000000000000 ] - [ -0.0169604600000000, 0.0008845000000000, 0.0000000000000000 ] - [ 0.0040514800000000, 0.0022442500000000, 0.0000000000000000 ] - [ 0.0050833400000000, 0.0069659600000000, 0.0000000000000000 ] - [ -0.0055660800000000, -0.0043065700000000, 0.0000000000000000 ] - [ -0.0035018400000000, -0.0026973000000000, 0.0000000000000000 ] - [ -0.0036630100000000, 0.0009970800000000, 0.0000000000000000 ] - [ -0.0033263600000000, 0.0029409600000000, 0.0000000000000000 ] - [ -0.0028869200000000, -0.0026410200000000, 0.0000000000000000 ] - [ -0.0065722300000000, -0.0074854700000000, 0.0000000000000000 ] - [ -0.0140291400000000, -0.0078120900000000, 0.0000000000000000 ] - [ -0.0023488200000000, -0.0014779900000000, 0.0000000000000000 ] - [ -0.0033097500000000, 0.0018072100000000, 0.0000000000000000 ] - [ -0.0005948500000000, 0.0007468600000000, 0.0000000000000000 ] - [ -0.0023264000000000, 0.0018990100000000, 0.0000000000000000 ] - [ -0.0063864400000000, -0.0059142100000000, 0.0000000000000000 ] - [ -0.0020109100000000, -0.0000623500000000, 0.0000000000000000 ] - [ -0.0023548300000000, 0.0008037600000000, 0.0000000000000000 ] - [ 0.0307591800000000, 0.0254865000000000, 0.0000000000000000 ] - [ -0.0231076500000000, 0.0196573800000000, 0.0000000000000000 ] - [ -0.0018523500000000, -0.0002483300000000, 0.0000000000000000 ] - [ -0.0001201300000000, -0.0007073100000000, 0.0000000000000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000033900000000, 0.0001260600000000, -0.0000047700000000 ] - [ 0.0000002100000000, 0.0008583200000000, -0.0000001200000000 ] - [ -0.0000138100000000, -0.0000895700000000, -0.0001496200000000 ] - [ -0.0001009300000000, 0.0000032600000000, -0.0000031700000000 ] - [ 0.0001261800000000, -0.0000017100000000, -0.0000002300000000 ] - [ 0.0001073200000000, -0.0000031800000000, -0.0000171100000000 ] - [ 0.0003153500000000, -0.0003704900000000, -0.0025045500000000 ] - [ -0.0008629000000000, -0.0000022400000000, -0.0000000400000000 ] - [ 0.0000017200000000, -0.0008622200000000, 0.0001207600000000 ] - [ 0.0008522200000000, -0.0000112100000000, -0.0000001000000000 ] - [ 0.0001188300000000, -0.0000030700000000, 0.0000017800000000 ] - [ 0.0000021500000000, 0.0000992500000000, -0.0000000800000000 ] - [ -0.0000066500000000, 0.0000895000000000, -0.0000947700000000 ] - [ 0.0000000100000000, -0.0001321800000000, -0.0000028800000000 ] - [ -0.0000008300000000, -0.0001259900000000, -0.0000006600000000 ] - [ -0.0001263100000000, -0.0000039500000000, -0.0000005600000000 ] - [ -0.0000030700000000, 0.0001188300000000, 0.0000017800000000 ] - [ -0.0000112100000000, 0.0008522200000000, -0.0000001000000000 ] - [ 0.0000032600000000, -0.0001009300000000, -0.0000031700000000 ] - [ -0.0000895700000000, -0.0000138100000000, -0.0001496200000000 ] - [ 0.0000895000000000, -0.0000066500000000, -0.0000947700000000 ] - [ 0.0000992500000000, 0.0000021500000000, -0.0000000800000000 ] - [ -0.0001259900000000, -0.0000008300000000, -0.0000006600000000 ] - [ -0.0008622200000000, 0.0000017200000000, 0.0001207600000000 ] - [ -0.0000022400000000, -0.0008629000000000, -0.0000000400000000 ] - [ 0.0008583200000000, 0.0000002100000000, -0.0000001200000000 ] - [ 0.0001260600000000, -0.0000033900000000, -0.0000047700000000 ] - [ -0.0000031800000000, 0.0001073200000000, -0.0000171100000000 ] - [ -0.0000017100000000, 0.0001261800000000, -0.0000002300000000 ] - [ -0.0000039500000000, -0.0001263100000000, -0.0000005600000000 ] - [ -0.0003704900000000, 0.0003153500000000, -0.0025045500000000 ] - [ -0.0001321800000000, 0.0000000100000000, -0.0000028800000000 ] - [ -0.0001821400000000, -0.0003017700000000, -0.0000002000000000 ] - [ -0.0003461800000000, -0.0003461800000000, -0.0342239200000000 ] - [ 0.0001823600000000, 0.0003040600000000, 0.0000154600000000 ] - [ -0.0000262700000000, -0.0000419600000000, -0.0000021100000000 ] - [ 0.0002490700000000, 0.0002490700000000, 0.0017255500000000 ] - [ -0.0003047100000000, -0.0001768900000000, -0.0000003000000000 ] - [ 0.0003032000000000, 0.0001806700000000, -0.0000005100000000 ] - [ -0.0000404700000000, -0.0000283400000000, 0.0000041500000000 ] - [ 0.0000371500000000, -0.0000376800000000, -0.0005065800000000 ] - [ -0.0001183000000000, 0.0001281700000000, -0.0000007300000000 ] - [ -0.0000025200000000, -0.0004808500000000, -0.0000387100000000 ] - [ 0.0001237800000000, 0.0001237800000000, -0.0000728300000000 ] - [ 0.0000322700000000, 0.0001459000000000, 0.0000523700000000 ] - [ -0.0000018300000000, -0.0000652100000000, 0.0000008000000000 ] - [ -0.0002296900000000, 0.0002341200000000, -0.0000001700000000 ] - [ -0.0001212600000000, -0.0001212600000000, 0.0000014100000000 ] - [ 0.0000005300000000, 0.0004806000000000, -0.0000007400000000 ] - [ 0.0000236200000000, -0.0001386400000000, -0.0000010400000000 ] - [ -0.0000456700000000, 0.0000789400000000, 0.0189645900000000 ] - [ -0.0000422200000000, 0.0000275000000000, -0.0000005900000000 ] - [ -0.0004800500000000, 0.0000005500000000, -0.0000003500000000 ] - [ 0.0001407900000000, 0.0000241800000000, 0.0000009300000000 ] - [ -0.0000240900000000, -0.0001383700000000, 0.0000013700000000 ] - [ -0.0001381300000000, -0.0000218200000000, 0.0000028500000000 ] - [ 0.0000666700000000, -0.0000045800000000, 0.0000213500000000 ] - [ 0.0000226700000000, 0.0000774900000000, 0.0028598600000000 ] - [ 0.0001227500000000, -0.0001223700000000, 0.0000043300000000 ] - [ 0.0001821100000000, -0.0003026700000000, -0.0000005700000000 ] - [ -0.0000280500000000, 0.0000412900000000, 0.0000006900000000 ] - [ -0.0002945900000000, 0.0001934400000000, -0.0000953800000000 ] - [ -0.0000001800000000, 0.0000609200000000, 0.0000497600000000 ] - [ -0.0001589900000000, 0.0003196600000000, -0.0024295400000000 ] - [ -0.0001472000000000, 0.0000346800000000, 0.0000237500000000 ] - [ 0.0002332400000000, -0.0002293400000000, 0.0000030900000000 ] - [ 0.0000414800000000, 0.0000287700000000, -0.0000004600000000 ] - [ -0.0000684500000000, -0.0000022500000000, 0.0000131000000000 ] - [ 0.0003026200000000, -0.0001804400000000, 0.0000001800000000 ] - [ 0.0001408000000000, -0.0000257200000000, 0.0000020200000000 ] - [ 0.0000270000000000, 0.0000429000000000, -0.0000012600000000 ] - [ 0.0004815800000000, 0.0000018900000000, 0.0000000400000000 ] - [ -0.0001768900000000, -0.0003047100000000, -0.0000003000000000 ] - [ -0.0002321900000000, -0.0002321900000000, -0.0000000600000000 ] - [ 0.0001806700000000, 0.0003032000000000, -0.0000005100000000 ] - [ -0.0000283400000000, -0.0000404700000000, 0.0000041500000000 ] - [ 0.0002314100000000, 0.0002314100000000, -0.0000003700000000 ] - [ -0.0003017700000000, -0.0001821400000000, -0.0000002000000000 ] - [ 0.0003040600000000, 0.0001823600000000, 0.0000154600000000 ] - [ -0.0000419600000000, -0.0000262700000000, -0.0000021100000000 ] - [ 0.0000412900000000, -0.0000280500000000, 0.0000006900000000 ] - [ -0.0001223700000000, 0.0001227500000000, 0.0000043300000000 ] - [ 0.0000005500000000, -0.0004800500000000, -0.0000003500000000 ] - [ 0.0001236600000000, 0.0001236600000000, -0.0000005800000000 ] - [ 0.0000241800000000, 0.0001407900000000, 0.0000009300000000 ] - [ -0.0000022500000000, -0.0000684500000000, 0.0000131000000000 ] - [ -0.0002293400000000, 0.0002332400000000, 0.0000030900000000 ] - [ -0.0001221800000000, -0.0001221800000000, 0.0000001400000000 ] - [ 0.0000018900000000, 0.0004815800000000, 0.0000000400000000 ] - [ 0.0000346800000000, -0.0001472000000000, 0.0000237500000000 ] - [ 0.0000275000000000, -0.0000422200000000, -0.0000005900000000 ] - [ 0.0000789400000000, -0.0000456700000000, 0.0189645900000000 ] - [ -0.0004808500000000, -0.0000025200000000, -0.0000387100000000 ] - [ 0.0001459000000000, 0.0000322700000000, 0.0000523700000000 ] - [ -0.0000218200000000, -0.0001381300000000, 0.0000028500000000 ] - [ -0.0001383700000000, -0.0000240900000000, 0.0000013700000000 ] - [ 0.0000609200000000, -0.0000001800000000, 0.0000497600000000 ] - [ -0.0000257200000000, 0.0001408000000000, 0.0000020200000000 ] - [ 0.0001281700000000, -0.0001183000000000, -0.0000007300000000 ] - [ 0.0001934400000000, -0.0002945900000000, -0.0000953800000000 ] - [ -0.0000376800000000, 0.0000371500000000, -0.0005065800000000 ] - [ -0.0003026700000000, 0.0001821100000000, -0.0000005700000000 ] - [ -0.0000045800000000, 0.0000666700000000, 0.0000213500000000 ] - [ -0.0001804400000000, 0.0003026200000000, 0.0000001800000000 ] - [ -0.0001386400000000, 0.0000236200000000, -0.0000010400000000 ] - [ 0.0002341200000000, -0.0002296900000000, -0.0000001700000000 ] - [ 0.0000429000000000, 0.0000270000000000, -0.0000012600000000 ] - [ -0.0000652100000000, -0.0000018300000000, 0.0000008000000000 ] - [ 0.0003196600000000, -0.0001589900000000, -0.0024295400000000 ] - [ 0.0000774900000000, 0.0000226700000000, 0.0028598600000000 ] - [ 0.0000287700000000, 0.0000414800000000, -0.0000004600000000 ] - [ 0.0004806000000000, 0.0000005300000000, -0.0000007400000000 ]- atom: 36 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0075795100000000, 0.0093168300000000, 0.0000000000000000 ] - [ 0.0006589300000000, 0.0022727200000000, 0.0000000000000000 ] - [ -0.0085962000000000, -0.0094131900000000, 0.0000000000000000 ] - [ 0.0055217000000000, -0.0010310100000000, 0.0000000000000000 ] - [ 0.0020178800000000, 0.0004345700000000, 0.0000000000000000 ] - [ -0.0019765700000000, -0.0030475800000000, 0.0000000000000000 ] - [ -0.0059512600000000, 0.0018694700000000, 0.0000000000000000 ] - [ -0.0072076500000000, 0.0079452200000000, 0.0000000000000000 ] - [ -0.0030723900000000, 0.0056847900000000, 0.0000000000000000 ] - [ -0.0028841200000000, 0.0001466400000000, 0.0000000000000000 ] - [ 0.0436100000000000, -0.0181217000000000, 0.0000000000000000 ] - [ 0.0012660200000000, -0.0011933700000000, 0.0000000000000000 ] - [ -0.0036318300000000, -0.0002517400000000, 0.0000000000000000 ] - [ -0.0021518400000000, -0.0008956800000000, 0.0000000000000000 ] - [ 0.0026336000000000, 0.0021192800000000, 0.0000000000000000 ] - [ -0.0007997500000000, -0.0001206800000000, 0.0000000000000000 ] - [ -0.0013150300000000, 0.0006202000000000, 0.0000000000000000 ] - [ -0.0055845300000000, 0.0006896800000000, 0.0000000000000000 ] - [ -0.0005342000000000, -0.0000553000000000, 0.0000000000000000 ] - [ -0.0012405300000000, -0.0000099800000000, 0.0000000000000000 ] - [ -0.0035570200000000, -0.0002844800000000, 0.0000000000000000 ] - [ 0.0002452400000000, -0.0006850300000000, 0.0000000000000000 ] - [ 0.0001423500000000, 0.0013079300000000, 0.0000000000000000 ] - [ -0.0026504800000000, 0.0022997100000000, 0.0000000000000000 ] - [ -0.0029124900000000, 0.0017262200000000, 0.0000000000000000 ] - [ 0.0042225400000000, 0.0020214700000000, 0.0000000000000000 ] - [ -0.0015921300000000, 0.0004578100000000, 0.0000000000000000 ] - [ -0.0019738800000000, -0.0010793800000000, 0.0000000000000000 ] - [ 0.0012935800000000, 0.0007944400000000, 0.0000000000000000 ] - [ 0.0044300200000000, -0.0017352000000000, 0.0000000000000000 ] - [ -0.0028548900000000, 0.0009808700000000, 0.0000000000000000 ] - [ -0.0073076400000000, -0.0085989200000000, 0.0000000000000000 ] - [ 0.0000503800000000, -0.0005683700000000, 0.0000000000000000 ] - [ 0.0023868800000000, -0.0023453400000000, 0.0000000000000000 ] - [ 0.0003998400000000, -0.0043336000000000, 0.0000000000000000 ] - [ -0.0645279400000000, 0.0246757000000000, 0.0000000000000000 ] - [ 0.0021041000000000, -0.0011012800000000, 0.0000000000000000 ] - [ 0.0009045700000000, -0.0009019900000000, 0.0000000000000000 ] - [ 0.0139649600000000, -0.0162250500000000, 0.0000000000000000 ] - [ -0.0000124000000000, -0.0090715700000000, 0.0000000000000000 ] - [ 0.0012906000000000, 0.0004069000000000, 0.0000000000000000 ] - [ 0.0011892200000000, 0.0009185400000000, 0.0000000000000000 ] - [ 0.0005973300000000, -0.0017761700000000, 0.0000000000000000 ] - [ 0.0025907100000000, -0.0023677400000000, 0.0000000000000000 ] - [ 0.0135186300000000, 0.0153499600000000, 0.0000000000000000 ] - [ -0.0007759100000000, 0.0006401200000000, 0.0000000000000000 ] - [ 0.0001138900000000, 0.0004240400000000, 0.0000000000000000 ] - [ 0.0022719100000000, -0.0018249700000000, 0.0000000000000000 ] - [ -0.0001088000000000, 0.0002493200000000, 0.0000000000000000 ] - [ -0.0009888500000000, 0.0005719800000000, 0.0000000000000000 ] - [ 0.0014904000000000, 0.0001518200000000, 0.0000000000000000 ] - [ -0.0008168000000000, -0.0004070500000000, 0.0000000000000000 ] - [ 0.0003994600000000, -0.0013750700000000, 0.0000000000000000 ] - [ -0.0062865600000000, -0.0037258200000000, 0.0000000000000000 ] - [ 0.0000451700000000, 0.0001406800000000, 0.0000000000000000 ] - [ 0.0012784400000000, 0.0017087000000000, 0.0000000000000000 ] - [ -0.0017602300000000, 0.0016695400000000, 0.0000000000000000 ] - [ 0.0034049900000000, -0.0022276800000000, 0.0000000000000000 ] - [ -0.0005302300000000, -0.0010363500000000, 0.0000000000000000 ] - [ -0.0007399200000000, -0.0010671500000000, 0.0000000000000000 ] - [ -0.0007343200000000, -0.0004150500000000, 0.0000000000000000 ] - [ 0.0014759000000000, 0.0015902800000000, 0.0000000000000000 ] - [ -0.0004943000000000, 0.0036383200000000, 0.0000000000000000 ] - [ 0.0014583600000000, 0.0003099700000000, 0.0000000000000000 ] - [ 0.0007886700000000, -0.0000062500000000, 0.0000000000000000 ] - [ 0.0011301800000000, 0.0005053300000000, 0.0000000000000000 ] - [ 0.0004539000000000, 0.0001425300000000, 0.0000000000000000 ] - [ 0.0005371000000000, 0.0019208700000000, 0.0000000000000000 ] - [ -0.0016792400000000, -0.0030649400000000, 0.0000000000000000 ] - [ -0.0010735600000000, 0.0009359800000000, 0.0000000000000000 ] - [ 0.0002728000000000, 0.0000446700000000, 0.0000000000000000 ] - [ 0.0011097400000000, 0.0000430400000000, 0.0000000000000000 ] - [ 0.0024128700000000, -0.0011090700000000, 0.0000000000000000 ] - [ 0.0000822500000000, -0.0008869100000000, 0.0000000000000000 ] - [ 0.0014755100000000, -0.0009461500000000, 0.0000000000000000 ] - [ 0.0003619200000000, -0.0002854400000000, 0.0000000000000000 ] - [ -0.0001829500000000, 0.0003231200000000, 0.0000000000000000 ] - [ -0.0020557100000000, 0.0012506900000000, 0.0000000000000000 ] - [ 0.0012698600000000, -0.0007221100000000, 0.0000000000000000 ] - [ 0.0003972900000000, -0.0002692500000000, 0.0000000000000000 ] - [ -0.0003435500000000, -0.0003121900000000, 0.0000000000000000 ] - [ -0.0025615300000000, -0.0029666200000000, 0.0000000000000000 ] - [ 0.0002939000000000, -0.0009081300000000, 0.0000000000000000 ] - [ 0.0036409500000000, -0.0041276500000000, 0.0000000000000000 ] - [ 0.0003405400000000, 0.0002945000000000, 0.0000000000000000 ] - [ 0.0002214300000000, 0.0003839300000000, 0.0000000000000000 ] - [ 0.0136933600000000, 0.0064193200000000, 0.0000000000000000 ] - [ -0.0000750200000000, -0.0005958100000000, 0.0000000000000000 ] - [ 0.0008170200000000, 0.0005463800000000, 0.0000000000000000 ] - [ 0.0010861500000000, -0.0007758500000000, 0.0000000000000000 ] - [ -0.0002488600000000, -0.0004486800000000, 0.0000000000000000 ] - [ 0.0008838300000000, 0.0003113000000000, 0.0000000000000000 ] - [ -0.0001487700000000, -0.0002730400000000, 0.0000000000000000 ] - [ 0.0005676400000000, 0.0003141700000000, 0.0000000000000000 ] - [ 0.0021412700000000, 0.0023231800000000, 0.0000000000000000 ] - [ -0.0005019700000000, 0.0002008000000000, 0.0000000000000000 ] - [ 0.0005084500000000, 0.0002575700000000, 0.0000000000000000 ] - [ 0.0002913700000000, -0.0002119600000000, 0.0000000000000000 ] - [ 0.0027281900000000, 0.0011020900000000, 0.0000000000000000 ] - [ 0.0024949800000000, 0.0013081400000000, 0.0000000000000000 ] - [ 0.0007538600000000, 0.0003312100000000, 0.0000000000000000 ] - [ -0.0014200200000000, -0.0007819100000000, 0.0000000000000000 ] - [ 0.0001963600000000, 0.0000742700000000, 0.0000000000000000 ] - [ -0.0006713300000000, -0.0004653000000000, 0.0000000000000000 ] - [ -0.0005004700000000, 0.0003493700000000, 0.0000000000000000 ] - [ -0.0083235600000000, 0.0006621600000000, 0.0000000000000000 ] - [ -0.0014926000000000, 0.0016673900000000, 0.0000000000000000 ] - [ -0.0000475300000000, 0.0002163800000000, 0.0000000000000000 ] - [ 0.0008915000000000, -0.0000423600000000, 0.0000000000000000 ] - [ 0.0010838700000000, -0.0006976300000000, 0.0000000000000000 ] - [ -0.0004825900000000, 0.0022902600000000, 0.0000000000000000 ] - [ -0.0001039000000000, -0.0001616300000000, 0.0000000000000000 ]- atom: 36 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0082008100000000, -0.0083872900000000, 0.0000000000000000 ] - [ -0.0006552900000000, -0.0005570500000000, 0.0000000000000000 ] - [ 0.0086187400000000, 0.0092100300000000, 0.0000000000000000 ] - [ -0.0057424600000000, 0.0010402300000000, 0.0000000000000000 ] - [ -0.0017563200000000, -0.0004220500000000, 0.0000000000000000 ] - [ 0.0022010000000000, 0.0030434800000000, 0.0000000000000000 ] - [ 0.0056988000000000, -0.0018680300000000, 0.0000000000000000 ] - [ 0.0055020400000000, -0.0079977600000000, 0.0000000000000000 ] - [ 0.0031425800000000, -0.0074648400000000, 0.0000000000000000 ] - [ 0.0046338500000000, -0.0001516100000000, 0.0000000000000000 ] - [ -0.0439927100000000, 0.0185055000000000, 0.0000000000000000 ] - [ -0.0012708000000000, 0.0014120100000000, 0.0000000000000000 ] - [ 0.0036628700000000, 0.0005270800000000, 0.0000000000000000 ] - [ 0.0021832100000000, 0.0006218900000000, 0.0000000000000000 ] - [ -0.0026656700000000, -0.0024009000000000, 0.0000000000000000 ] - [ 0.0005355800000000, 0.0001393500000000, 0.0000000000000000 ] - [ 0.0013004300000000, -0.0003604400000000, 0.0000000000000000 ] - [ 0.0056142700000000, 0.0010423000000000, 0.0000000000000000 ] - [ 0.0005322600000000, -0.0001734400000000, 0.0000000000000000 ] - [ 0.0010220900000000, 0.0000127900000000, 0.0000000000000000 ] - [ 0.0038375900000000, 0.0003159200000000, 0.0000000000000000 ] - [ -0.0000273100000000, 0.0006814800000000, 0.0000000000000000 ] - [ -0.0004122200000000, -0.0013443100000000, 0.0000000000000000 ] - [ 0.0009382600000000, -0.0023156000000000, 0.0000000000000000 ] - [ 0.0029269500000000, -0.0034796000000000, 0.0000000000000000 ] - [ -0.0024930400000000, -0.0020532800000000, 0.0000000000000000 ] - [ 0.0018658700000000, -0.0004894300000000, 0.0000000000000000 ] - [ 0.0019733500000000, 0.0013115400000000, 0.0000000000000000 ] - [ -0.0012805900000000, -0.0005445800000000, 0.0000000000000000 ] - [ -0.0045004400000000, 0.0014171700000000, 0.0000000000000000 ] - [ 0.0028431800000000, -0.0012411800000000, 0.0000000000000000 ] - [ 0.0070868700000000, 0.0087132900000000, 0.0000000000000000 ] - [ -0.0004138800000000, -0.0000358100000000, 0.0000000000000000 ] - [ -0.0028510400000000, 0.0018849300000000, 0.0000000000000000 ] - [ -0.0000967700000000, 0.0048882400000000, 0.0000000000000000 ] - [ 0.0659427500000000, -0.0259782400000000, 0.0000000000000000 ] - [ -0.0016489400000000, 0.0015631900000000, 0.0000000000000000 ] - [ -0.0015176500000000, 0.0005486100000000, 0.0000000000000000 ] - [ -0.0135685800000000, 0.0167876000000000, 0.0000000000000000 ] - [ 0.0000535800000000, 0.0090461500000000, 0.0000000000000000 ] - [ -0.0012127400000000, -0.0004678800000000, 0.0000000000000000 ] - [ -0.0014388900000000, -0.0006731200000000, 0.0000000000000000 ] - [ -0.0006311900000000, 0.0008317100000000, 0.0000000000000000 ] - [ -0.0023715200000000, 0.0026368500000000, 0.0000000000000000 ] - [ -0.0134751700000000, -0.0150148900000000, 0.0000000000000000 ] - [ 0.0007762200000000, -0.0007668600000000, 0.0000000000000000 ] - [ -0.0005748700000000, 0.0000369500000000, 0.0000000000000000 ] - [ -0.0025298600000000, 0.0015884900000000, 0.0000000000000000 ] - [ 0.0001091500000000, 0.0007141900000000, 0.0000000000000000 ] - [ 0.0010313100000000, -0.0008490200000000, 0.0000000000000000 ] - [ -0.0014400300000000, -0.0002402100000000, 0.0000000000000000 ] - [ 0.0007367600000000, 0.0004669200000000, 0.0000000000000000 ] - [ -0.0013598200000000, 0.0013813600000000, 0.0000000000000000 ] - [ 0.0065717200000000, 0.0037370800000000, 0.0000000000000000 ] - [ -0.0000842600000000, -0.0004144700000000, 0.0000000000000000 ] - [ -0.0015565700000000, -0.0017487500000000, 0.0000000000000000 ] - [ 0.0018907600000000, -0.0016670800000000, 0.0000000000000000 ] - [ -0.0034353600000000, 0.0024930800000000, 0.0000000000000000 ] - [ 0.0007779700000000, 0.0007969300000000, 0.0000000000000000 ] - [ 0.0011058700000000, 0.0004640600000000, 0.0000000000000000 ] - [ 0.0006800800000000, 0.0004973100000000, 0.0000000000000000 ] - [ -0.0020892900000000, -0.0012361200000000, 0.0000000000000000 ] - [ 0.0004814700000000, -0.0035127700000000, 0.0000000000000000 ] - [ -0.0018408300000000, 0.0002771500000000, 0.0000000000000000 ] - [ -0.0010683100000000, 0.0000473100000000, 0.0000000000000000 ] - [ -0.0006696500000000, -0.0009664200000000, 0.0000000000000000 ] - [ -0.0003727300000000, -0.0000835800000000, 0.0000000000000000 ] - [ -0.0006660000000000, -0.0019179900000000, 0.0000000000000000 ] - [ 0.0022956400000000, 0.0027181300000000, 0.0000000000000000 ] - [ 0.0013568900000000, -0.0009786700000000, 0.0000000000000000 ] - [ -0.0002179000000000, 0.0000391900000000, 0.0000000000000000 ] - [ -0.0001521700000000, -0.0000429400000000, 0.0000000000000000 ] - [ -0.0027947800000000, 0.0005064300000000, 0.0000000000000000 ] - [ -0.0005481100000000, 0.0004315300000000, 0.0000000000000000 ] - [ -0.0011242700000000, 0.0015616300000000, 0.0000000000000000 ] - [ -0.0004207800000000, 0.0002050400000000, 0.0000000000000000 ] - [ 0.0006417500000000, 0.0001398500000000, 0.0000000000000000 ] - [ 0.0014512200000000, -0.0015997800000000, 0.0000000000000000 ] - [ -0.0006684900000000, 0.0010885300000000, 0.0000000000000000 ] - [ -0.0004817500000000, 0.0002152900000000, 0.0000000000000000 ] - [ 0.0004263500000000, 0.0002572700000000, 0.0000000000000000 ] - [ 0.0023235400000000, 0.0032293100000000, 0.0000000000000000 ] - [ -0.0002938100000000, -0.0000494000000000, 0.0000000000000000 ] - [ -0.0034189600000000, 0.0044083500000000, 0.0000000000000000 ] - [ -0.0002990800000000, -0.0000151400000000, 0.0000000000000000 ] - [ -0.0002207300000000, -0.0005165900000000, 0.0000000000000000 ] - [ -0.0144255200000000, -0.0060276100000000, 0.0000000000000000 ] - [ -0.0001776000000000, 0.0003640500000000, 0.0000000000000000 ] - [ -0.0008204300000000, 0.0004117100000000, 0.0000000000000000 ] - [ -0.0010456800000000, 0.0004957900000000, 0.0000000000000000 ] - [ 0.0003085000000000, 0.0003697100000000, 0.0000000000000000 ] - [ -0.0009701100000000, -0.0002580900000000, 0.0000000000000000 ] - [ -0.0008148600000000, 0.0002748100000000, 0.0000000000000000 ] - [ -0.0002932300000000, -0.0002754500000000, 0.0000000000000000 ] - [ -0.0021879200000000, -0.0026143300000000, 0.0000000000000000 ] - [ 0.0002399100000000, -0.0002307300000000, 0.0000000000000000 ] - [ -0.0003797300000000, -0.0002583000000000, 0.0000000000000000 ] - [ -0.0003308100000000, 0.0004917200000000, 0.0000000000000000 ] - [ -0.0024946500000000, -0.0013552400000000, 0.0000000000000000 ] - [ -0.0021490800000000, -0.0019245400000000, 0.0000000000000000 ] - [ -0.0008148800000000, -0.0002541200000000, 0.0000000000000000 ] - [ 0.0008224800000000, 0.0011564500000000, 0.0000000000000000 ] - [ -0.0001950500000000, 0.0000575300000000, 0.0000000000000000 ] - [ 0.0003176700000000, 0.0010774200000000, 0.0000000000000000 ] - [ 0.0002236400000000, -0.0003087400000000, 0.0000000000000000 ] - [ 0.0088984800000000, -0.0010886000000000, 0.0000000000000000 ] - [ 0.0016270400000000, -0.0016158700000000, 0.0000000000000000 ] - [ -0.0000777000000000, -0.0002160000000000, 0.0000000000000000 ] - [ -0.0002915900000000, -0.0003241700000000, 0.0000000000000000 ] - [ -0.0008086000000000, 0.0006577300000000, 0.0000000000000000 ] - [ 0.0005538300000000, -0.0022287600000000, 0.0000000000000000 ] - [ 0.0010654500000000, 0.0001680500000000, 0.0000000000000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0067171000000000, 0.0042984100000000, 0.0000000000000000 ] - [ 0.0008709700000000, -0.0032570100000000, 0.0000000000000000 ] - [ -0.0044891900000000, 0.0011640300000000, 0.0000000000000000 ] - [ -0.0051784700000000, -0.0071216600000000, 0.0000000000000000 ] - [ -0.0000394700000000, -0.0037752000000000, 0.0000000000000000 ] - [ -0.0016680700000000, -0.0000121200000000, 0.0000000000000000 ] - [ 0.0013511500000000, 0.0043444500000000, 0.0000000000000000 ] - [ 0.0064909200000000, -0.0054208400000000, 0.0000000000000000 ] - [ 0.0097117100000000, -0.0068943000000000, 0.0000000000000000 ] - [ 0.0022999700000000, 0.0003206900000000, 0.0000000000000000 ] - [ -0.0222089700000000, 0.0514242900000000, 0.0000000000000000 ] - [ -0.0017019900000000, -0.0019889600000000, 0.0000000000000000 ] - [ 0.0000530200000000, 0.0021546700000000, 0.0000000000000000 ] - [ -0.0002562100000000, -0.0013925400000000, 0.0000000000000000 ] - [ 0.0009429800000000, -0.0055310300000000, 0.0000000000000000 ] - [ -0.0004953600000000, -0.0024062100000000, 0.0000000000000000 ] - [ 0.0005799300000000, -0.0016907700000000, 0.0000000000000000 ] - [ 0.0025400400000000, 0.0038718400000000, 0.0000000000000000 ] - [ -0.0003963000000000, -0.0013712500000000, 0.0000000000000000 ] - [ -0.0002223100000000, -0.0003280100000000, 0.0000000000000000 ] - [ 0.0006929800000000, 0.0017335800000000, 0.0000000000000000 ] - [ -0.0019136300000000, -0.0024946500000000, 0.0000000000000000 ] - [ 0.0005025200000000, -0.0031235200000000, 0.0000000000000000 ] - [ 0.0023198700000000, -0.0027575200000000, 0.0000000000000000 ] - [ 0.0022571400000000, -0.0033558200000000, 0.0000000000000000 ] - [ 0.0015057400000000, -0.0069365200000000, 0.0000000000000000 ] - [ 0.0004901800000000, -0.0016651500000000, 0.0000000000000000 ] - [ -0.0009930200000000, 0.0007031700000000, 0.0000000000000000 ] - [ -0.0004836300000000, -0.0041319600000000, 0.0000000000000000 ] - [ -0.0147618000000000, -0.0110889900000000, 0.0000000000000000 ] - [ 0.0012295700000000, 0.0007726900000000, 0.0000000000000000 ] - [ -0.0000439000000000, 0.0098309600000000, 0.0000000000000000 ] - [ -0.0011981400000000, 0.0011609700000000, 0.0000000000000000 ] - [ -0.0004458600000000, -0.0004051700000000, 0.0000000000000000 ] - [ -0.0068629000000000, 0.0051909300000000, 0.0000000000000000 ] - [ 0.0256413800000000, -0.0782932700000000, 0.0000000000000000 ] - [ 0.0005236300000000, -0.0003818600000000, 0.0000000000000000 ] - [ -0.0006673600000000, 0.0002457200000000, 0.0000000000000000 ] - [ -0.0105199100000000, 0.0146884800000000, 0.0000000000000000 ] - [ -0.0083390800000000, -0.0001131300000000, 0.0000000000000000 ] - [ -0.0002922900000000, -0.0008049300000000, 0.0000000000000000 ] - [ -0.0009180400000000, -0.0003613200000000, 0.0000000000000000 ] - [ -0.0023310800000000, 0.0008380300000000, 0.0000000000000000 ] - [ -0.0039362800000000, 0.0035417100000000, 0.0000000000000000 ] - [ 0.0056224600000000, -0.0014132400000000, 0.0000000000000000 ] - [ 0.0015170600000000, 0.0009216200000000, 0.0000000000000000 ] - [ 0.0004355800000000, 0.0011284900000000, 0.0000000000000000 ] - [ -0.0007782600000000, 0.0001272300000000, 0.0000000000000000 ] - [ -0.0000433800000000, 0.0011785400000000, 0.0000000000000000 ] - [ -0.0003819000000000, 0.0009545400000000, 0.0000000000000000 ] - [ -0.0001700000000000, -0.0010594300000000, 0.0000000000000000 ] - [ 0.0002908700000000, 0.0012825200000000, 0.0000000000000000 ] - [ -0.0015812500000000, 0.0009389100000000, 0.0000000000000000 ] - [ 0.0038764800000000, 0.0136924700000000, 0.0000000000000000 ] - [ 0.0013795700000000, 0.0012134700000000, 0.0000000000000000 ] - [ 0.0004851600000000, 0.0006000200000000, 0.0000000000000000 ] - [ 0.0017832600000000, 0.0004088200000000, 0.0000000000000000 ] - [ 0.0024090600000000, -0.0023932600000000, 0.0000000000000000 ] - [ 0.0005775600000000, 0.0009390100000000, 0.0000000000000000 ] - [ 0.0015369400000000, 0.0015035800000000, 0.0000000000000000 ] - [ 0.0004292900000000, 0.0013470600000000, 0.0000000000000000 ] - [ -0.0009679900000000, -0.0006643600000000, 0.0000000000000000 ] - [ 0.0011648900000000, -0.0000890800000000, 0.0000000000000000 ] - [ -0.0036663800000000, -0.0025146100000000, 0.0000000000000000 ] - [ 0.0006956600000000, -0.0008513800000000, 0.0000000000000000 ] - [ 0.0006006100000000, 0.0003468900000000, 0.0000000000000000 ] - [ -0.0000239900000000, 0.0004424500000000, 0.0000000000000000 ] - [ 0.0006488100000000, 0.0001467900000000, 0.0000000000000000 ] - [ 0.0010442800000000, 0.0022363600000000, 0.0000000000000000 ] - [ -0.0017534800000000, 0.0031563100000000, 0.0000000000000000 ] - [ 0.0000313600000000, 0.0005941500000000, 0.0000000000000000 ] - [ 0.0002473300000000, -0.0000580400000000, 0.0000000000000000 ] - [ 0.0007763400000000, -0.0020609400000000, 0.0000000000000000 ] - [ -0.0022015800000000, 0.0022557800000000, 0.0000000000000000 ] - [ -0.0008100000000000, 0.0014696000000000, 0.0000000000000000 ] - [ -0.0002739900000000, 0.0004768900000000, 0.0000000000000000 ] - [ -0.0012427700000000, 0.0022830300000000, 0.0000000000000000 ] - [ -0.0015056200000000, 0.0028481600000000, 0.0000000000000000 ] - [ -0.0010324500000000, 0.0015454700000000, 0.0000000000000000 ] - [ -0.0003187100000000, 0.0004124300000000, 0.0000000000000000 ] - [ 0.0004518800000000, 0.0008988600000000, 0.0000000000000000 ] - [ 0.0003810200000000, 0.0026131800000000, 0.0000000000000000 ] - [ -0.0002191500000000, -0.0000548000000000, 0.0000000000000000 ] - [ -0.0028382600000000, 0.0035840900000000, 0.0000000000000000 ] - [ 0.0005413600000000, 0.0007598700000000, 0.0000000000000000 ] - [ 0.0003959700000000, -0.0002192700000000, 0.0000000000000000 ] - [ -0.0080944900000000, -0.0106275100000000, 0.0000000000000000 ] - [ -0.0024226200000000, 0.0029030200000000, 0.0000000000000000 ] - [ -0.0002401700000000, -0.0000529600000000, 0.0000000000000000 ] - [ 0.0005915300000000, -0.0007331200000000, 0.0000000000000000 ] - [ 0.0004369100000000, 0.0010142800000000, 0.0000000000000000 ] - [ -0.0004536100000000, -0.0003562900000000, 0.0000000000000000 ] - [ -0.0010246000000000, 0.0002798800000000, 0.0000000000000000 ] - [ 0.0002851100000000, 0.0003183600000000, 0.0000000000000000 ] - [ 0.0000833800000000, -0.0011049200000000, 0.0000000000000000 ] - [ 0.0034028200000000, 0.0029258300000000, 0.0000000000000000 ] - [ 0.0001708100000000, 0.0001254800000000, 0.0000000000000000 ] - [ -0.0005931300000000, 0.0010751300000000, 0.0000000000000000 ] - [ -0.0030147600000000, -0.0024262500000000, 0.0000000000000000 ] - [ -0.0009710900000000, -0.0015747900000000, 0.0000000000000000 ] - [ -0.0003220400000000, -0.0004645600000000, 0.0000000000000000 ] - [ 0.0015307100000000, 0.0028796600000000, 0.0000000000000000 ] - [ 0.0004660300000000, 0.0005545500000000, 0.0000000000000000 ] - [ 0.0003459900000000, 0.0012593000000000, 0.0000000000000000 ] - [ -0.0008173300000000, 0.0012568600000000, 0.0000000000000000 ] - [ 0.0189168000000000, 0.0166699100000000, 0.0000000000000000 ] - [ 0.0052570100000000, -0.0015193400000000, 0.0000000000000000 ] - [ 0.0006952300000000, 0.0001786400000000, 0.0000000000000000 ] - [ -0.0007397400000000, -0.0009817400000000, 0.0000000000000000 ] - [ -0.0000474100000000, 0.0000860300000000, 0.0000000000000000 ] - [ 0.0022890400000000, -0.0029120200000000, 0.0000000000000000 ] - [ 0.0003984200000000, 0.0011174200000000, 0.0000000000000000 ]- atom: 36 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0073580300000000, -0.0037522000000000, 0.0000000000000000 ] - [ -0.0008747600000000, 0.0049736300000000, 0.0000000000000000 ] - [ 0.0045455200000000, -0.0013146500000000, 0.0000000000000000 ] - [ 0.0049187900000000, 0.0070971900000000, 0.0000000000000000 ] - [ 0.0002924800000000, 0.0037780400000000, 0.0000000000000000 ] - [ 0.0018861000000000, 0.0000290800000000, 0.0000000000000000 ] - [ -0.0015869400000000, -0.0043611000000000, 0.0000000000000000 ] - [ -0.0081865900000000, 0.0054051500000000, 0.0000000000000000 ] - [ -0.0096949900000000, 0.0051395000000000, 0.0000000000000000 ] - [ -0.0005660600000000, -0.0003191800000000, 0.0000000000000000 ] - [ 0.0224936000000000, -0.0505292600000000, 0.0000000000000000 ] - [ 0.0016886700000000, 0.0022025100000000, 0.0000000000000000 ] - [ -0.0000324200000000, -0.0018894800000000, 0.0000000000000000 ] - [ 0.0002724000000000, 0.0011357400000000, 0.0000000000000000 ] - [ -0.0009474200000000, 0.0052539600000000, 0.0000000000000000 ] - [ 0.0002326900000000, 0.0024152300000000, 0.0000000000000000 ] - [ -0.0005862500000000, 0.0019469600000000, 0.0000000000000000 ] - [ -0.0025263600000000, -0.0021428000000000, 0.0000000000000000 ] - [ 0.0003994700000000, 0.0011557800000000, 0.0000000000000000 ] - [ 0.0000140300000000, 0.0003273300000000, 0.0000000000000000 ] - [ -0.0004222200000000, -0.0017232700000000, 0.0000000000000000 ] - [ 0.0021283000000000, 0.0024949800000000, 0.0000000000000000 ] - [ -0.0007571100000000, 0.0031071900000000, 0.0000000000000000 ] - [ -0.0040392300000000, 0.0027468200000000, 0.0000000000000000 ] - [ -0.0022477200000000, 0.0016290100000000, 0.0000000000000000 ] - [ 0.0002058500000000, 0.0069288100000000, 0.0000000000000000 ] - [ -0.0002251800000000, 0.0016543400000000, 0.0000000000000000 ] - [ 0.0009958700000000, -0.0004888900000000, 0.0000000000000000 ] - [ 0.0004890600000000, 0.0043850700000000, 0.0000000000000000 ] - [ 0.0147641400000000, 0.0108220000000000, 0.0000000000000000 ] - [ -0.0012310300000000, -0.0010365300000000, 0.0000000000000000 ] - [ -0.0002136200000000, -0.0098243900000000, 0.0000000000000000 ] - [ 0.0008356100000000, -0.0017675900000000, 0.0000000000000000 ] - [ -0.0000271400000000, -0.0000525500000000, 0.0000000000000000 ] - [ 0.0072785000000000, -0.0045716100000000, 0.0000000000000000 ] - [ -0.0250138500000000, 0.0768325200000000, 0.0000000000000000 ] - [ -0.0000650200000000, 0.0008502100000000, 0.0000000000000000 ] - [ 0.0000592700000000, -0.0006066200000000, 0.0000000000000000 ] - [ 0.0110608300000000, -0.0141704800000000, 0.0000000000000000 ] - [ 0.0082720800000000, -0.0000485200000000, 0.0000000000000000 ] - [ 0.0003729000000000, 0.0007481400000000, 0.0000000000000000 ] - [ 0.0006683900000000, 0.0006042000000000, 0.0000000000000000 ] - [ 0.0023210300000000, -0.0017931900000000, 0.0000000000000000 ] - [ 0.0041722300000000, -0.0032859100000000, 0.0000000000000000 ] - [ -0.0056258200000000, 0.0015948000000000, 0.0000000000000000 ] - [ -0.0015033600000000, -0.0010468900000000, 0.0000000000000000 ] - [ -0.0009002500000000, -0.0006646800000000, 0.0000000000000000 ] - [ 0.0005274400000000, -0.0003682700000000, 0.0000000000000000 ] - [ 0.0000446600000000, -0.0002135100000000, 0.0000000000000000 ] - [ 0.0004311800000000, -0.0012289800000000, 0.0000000000000000 ] - [ 0.0002206600000000, 0.0009746000000000, 0.0000000000000000 ] - [ -0.0003746300000000, -0.0012226500000000, 0.0000000000000000 ] - [ 0.0006167300000000, -0.0009394000000000, 0.0000000000000000 ] - [ -0.0035754400000000, -0.0133861700000000, 0.0000000000000000 ] - [ -0.0014186800000000, -0.0014830900000000, 0.0000000000000000 ] - [ -0.0007640400000000, -0.0006512700000000, 0.0000000000000000 ] - [ -0.0016430900000000, -0.0004179000000000, 0.0000000000000000 ] - [ -0.0024717500000000, 0.0026814100000000, 0.0000000000000000 ] - [ -0.0003279600000000, -0.0011779900000000, 0.0000000000000000 ] - [ -0.0011686000000000, -0.0021064300000000, 0.0000000000000000 ] - [ -0.0004825200000000, -0.0012646700000000, 0.0000000000000000 ] - [ 0.0003563000000000, 0.0010219300000000, 0.0000000000000000 ] - [ -0.0011645900000000, 0.0001920500000000, 0.0000000000000000 ] - [ 0.0032950000000000, 0.0031171100000000, 0.0000000000000000 ] - [ -0.0009725000000000, 0.0008949000000000, 0.0000000000000000 ] - [ -0.0001388200000000, -0.0008148400000000, 0.0000000000000000 ] - [ 0.0001073300000000, -0.0003873700000000, 0.0000000000000000 ] - [ -0.0007780000000000, -0.0001581100000000, 0.0000000000000000 ] - [ -0.0004418600000000, -0.0025917000000000, 0.0000000000000000 ] - [ 0.0020243300000000, -0.0031870800000000, 0.0000000000000000 ] - [ 0.0000239900000000, -0.0005114100000000, 0.0000000000000000 ] - [ 0.0007140500000000, 0.0000580700000000, 0.0000000000000000 ] - [ -0.0011425700000000, 0.0014569500000000, 0.0000000000000000 ] - [ 0.0017271400000000, -0.0027117300000000, 0.0000000000000000 ] - [ 0.0011696400000000, -0.0008625700000000, 0.0000000000000000 ] - [ 0.0002175600000000, -0.0005605800000000, 0.0000000000000000 ] - [ 0.0017075800000000, -0.0018186300000000, 0.0000000000000000 ] - [ 0.0009118800000000, -0.0032148200000000, 0.0000000000000000 ] - [ 0.0016354500000000, -0.0011779100000000, 0.0000000000000000 ] - [ 0.0002344100000000, -0.0004664200000000, 0.0000000000000000 ] - [ -0.0003695700000000, -0.0009551100000000, 0.0000000000000000 ] - [ -0.0006160700000000, -0.0023537400000000, 0.0000000000000000 ] - [ 0.0002184000000000, -0.0009081000000000, 0.0000000000000000 ] - [ 0.0030775900000000, -0.0033272400000000, 0.0000000000000000 ] - [ -0.0004983900000000, -0.0004857700000000, 0.0000000000000000 ] - [ -0.0003964100000000, 0.0000914600000000, 0.0000000000000000 ] - [ 0.0076226100000000, 0.0110671100000000, 0.0000000000000000 ] - [ 0.0021782800000000, -0.0031442500000000, 0.0000000000000000 ] - [ 0.0002391000000000, 0.0010143400000000, 0.0000000000000000 ] - [ -0.0005495200000000, 0.0004601100000000, 0.0000000000000000 ] - [ -0.0003819300000000, -0.0010977400000000, 0.0000000000000000 ] - [ 0.0003671000000000, 0.0004107300000000, 0.0000000000000000 ] - [ 0.0000607600000000, -0.0002784000000000, 0.0000000000000000 ] - [ -0.0000124200000000, -0.0002735800000000, 0.0000000000000000 ] - [ -0.0001307700000000, 0.0008286400000000, 0.0000000000000000 ] - [ -0.0036774000000000, -0.0029713000000000, 0.0000000000000000 ] - [ -0.0000451400000000, -0.0001249500000000, 0.0000000000000000 ] - [ 0.0005467000000000, -0.0007983200000000, 0.0000000000000000 ] - [ 0.0032474300000000, 0.0021728800000000, 0.0000000000000000 ] - [ 0.0013274000000000, 0.0009648200000000, 0.0000000000000000 ] - [ 0.0002641400000000, 0.0005470000000000, 0.0000000000000000 ] - [ -0.0021312000000000, -0.0025087100000000, 0.0000000000000000 ] - [ -0.0004664500000000, -0.0004249700000000, 0.0000000000000000 ] - [ -0.0007111100000000, -0.0006567600000000, 0.0000000000000000 ] - [ 0.0005413700000000, -0.0012104400000000, 0.0000000000000000 ] - [ -0.0185507600000000, -0.0171739700000000, 0.0000000000000000 ] - [ -0.0051672500000000, 0.0015971200000000, 0.0000000000000000 ] - [ -0.0008220300000000, -0.0001777900000000, 0.0000000000000000 ] - [ 0.0013438200000000, 0.0006181200000000, 0.0000000000000000 ] - [ 0.0003180700000000, -0.0001281800000000, 0.0000000000000000 ] - [ -0.0022308200000000, 0.0029981800000000, 0.0000000000000000 ] - [ 0.0005677000000000, -0.0011131100000000, 0.0000000000000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005599200000000, 0.0006457000000000, 0.0022586700000000 ] - [ -0.0000062500000000, 0.0009461100000000, -0.0000008600000000 ] - [ 0.0000366400000000, -0.0001686000000000, -0.0001917000000000 ] - [ -0.0000006000000000, 0.0001218500000000, -0.0000049500000000 ] - [ 0.0001465700000000, 0.0000762100000000, -0.0000009600000000 ] - [ 0.0001292900000000, -0.0000143000000000, -0.0000131600000000 ] - [ -0.0001894300000000, -0.0000802700000000, 0.0000061600000000 ] - [ -0.0010000900000000, 0.0001232800000000, 0.0000781600000000 ] - [ -0.0002413800000000, -0.0006587400000000, -0.0001242100000000 ] - [ 0.0008206000000000, -0.0000009600000000, -0.0000001100000000 ] - [ 0.0007448700000000, -0.0008616700000000, 0.0753241700000000 ] - [ 0.0000333500000000, 0.0001368400000000, 0.0000055800000000 ] - [ -0.0000118700000000, 0.0000982000000000, -0.0000022400000000 ] - [ 0.0000046800000000, -0.0001154400000000, -0.0000002900000000 ] - [ -0.0000147300000000, -0.0000338900000000, -0.0000026800000000 ] - [ -0.0001325200000000, 0.0000541700000000, -0.0000012200000000 ] - [ -0.0000317000000000, 0.0001682400000000, -0.0000002600000000 ] - [ -0.0000807600000000, 0.0008335100000000, -0.0000029900000000 ] - [ 0.0000030200000000, -0.0000907000000000, -0.0000008400000000 ] - [ -0.0001154600000000, 0.0000041200000000, 0.0000006900000000 ] - [ 0.0000961800000000, -0.0000196600000000, -0.0000008900000000 ] - [ 0.0001444700000000, 0.0000334400000000, -0.0000302600000000 ] - [ -0.0001397200000000, 0.0000452600000000, -0.0000036700000000 ] - [ -0.0009400500000000, 0.0000685700000000, -0.0000031100000000 ] - [ -0.0000494600000000, -0.0008115300000000, -0.0000020900000000 ] - [ 0.0008931600000000, 0.0001226000000000, 0.0000058100000000 ] - [ 0.0001175200000000, 0.0000185000000000, -0.0000005700000000 ] - [ -0.0000035000000000, 0.0000865400000000, -0.0000029700000000 ] - [ 0.0000269500000000, 0.0002033500000000, 0.0000008900000000 ] - [ 0.0002576500000000, 0.0000230500000000, 0.0010141100000000 ] - [ -0.0000542100000000, -0.0001435300000000, -0.0000005200000000 ] - [ -0.0002176400000000, -0.0002170000000000, -0.0002415600000000 ] - [ -0.0001607900000000, -0.0003314400000000, -0.0000001600000000 ] - [ -0.0002098900000000, -0.0002397800000000, -0.0000025800000000 ] - [ 0.0007031300000000, -0.0001455400000000, 0.0015178600000000 ] - [ -0.0003506600000000, 0.0007685100000000, -0.1600441400000000 ] - [ 0.0002374300000000, 0.0002306600000000, 0.0000001700000000 ] - [ -0.0002889700000000, -0.0001923600000000, 0.0000003800000000 ] - [ 0.0005111100000000, -0.0000850900000000, 0.0006553600000000 ] - [ -0.0002834400000000, 0.0002353300000000, 0.0431510900000000 ] - [ 0.0000544600000000, -0.0000114200000000, 0.0000024300000000 ] - [ -0.0001053600000000, 0.0001343200000000, -0.0000005200000000 ] - [ 0.0000616200000000, -0.0005200100000000, 0.0004015400000000 ] - [ 0.0002234400000000, 0.0000368300000000, 0.0000352200000000 ] - [ 0.0002174600000000, 0.0003812600000000, 0.0182344600000000 ] - [ -0.0000290000000000, -0.0000761500000000, 0.0000118700000000 ] - [ -0.0002396700000000, 0.0002143200000000, 0.0000001500000000 ] - [ -0.0000955700000000, -0.0001414500000000, 0.0000007300000000 ] - [ 0.0000000600000000, 0.0004664000000000, -0.0000000900000000 ] - [ 0.0000221400000000, -0.0001539300000000, -0.0000003200000000 ] - [ 0.0000388000000000, -0.0000223800000000, -0.0000088000000000 ] - [ -0.0000512600000000, 0.0000048800000000, 0.0000013000000000 ] - [ -0.0004599600000000, -0.0000210400000000, 0.0001901900000000 ] - [ 0.0000570600000000, -0.0001779100000000, -0.0004945600000000 ] - [ -0.0000429100000000, -0.0001592600000000, -0.0000004700000000 ] - [ -0.0001421100000000, -0.0000218700000000, 0.0000069500000000 ] - [ 0.0000257000000000, 0.0000027000000000, 0.0000925600000000 ] - [ -0.0000443200000000, 0.0001645700000000, -0.0000425600000000 ] - [ 0.0001083600000000, -0.0001507400000000, -0.0000006800000000 ] - [ 0.0001520400000000, -0.0003395100000000, -0.0000005000000000 ] - [ -0.0000389900000000, 0.0000157300000000, 0.0000023600000000 ] - [ -0.0002814200000000, 0.0002024900000000, -0.0000005200000000 ] - [ -0.0000359600000000, 0.0000734500000000, -0.0000609700000000 ] - [ -0.0001041600000000, 0.0003584200000000, -0.0000008800000000 ] - [ -0.0001486600000000, 0.0000341600000000, -0.0000010400000000 ] - [ 0.0002283000000000, -0.0002365700000000, -0.0000000900000000 ] - [ 0.0000454000000000, 0.0000209800000000, 0.0000016700000000 ] - [ -0.0000703800000000, 0.0000103100000000, 0.0000968300000000 ] - [ 0.0002799300000000, -0.0002316400000000, -0.0000069900000000 ] - [ 0.0001678400000000, -0.0000715600000000, 0.0000427000000000 ] - [ 0.0000289900000000, 0.0000312200000000, -0.0000006700000000 ] - [ 0.0004871200000000, 0.0000007900000000, -0.0000002800000000 ] - [ -0.0001612800000000, -0.0002893500000000, 0.0000538400000000 ] - [ -0.0001982400000000, -0.0002730200000000, 0.0000036200000000 ] - [ 0.0002035200000000, 0.0002763100000000, 0.0000004800000000 ] - [ -0.0000209000000000, -0.0000521300000000, 0.0000009300000000 ] - [ 0.0002508500000000, 0.0001960800000000, -0.0000006700000000 ] - [ -0.0002920200000000, -0.0002134300000000, -0.0004636800000000 ] - [ 0.0003356400000000, 0.0001488500000000, -0.0000004800000000 ] - [ -0.0000333500000000, -0.0000364400000000, 0.0000006500000000 ] - [ 0.0000306400000000, -0.0000450300000000, -0.0000001700000000 ] - [ -0.0001646900000000, 0.0000488900000000, -0.0000366500000000 ] - [ 0.0000052900000000, -0.0004892800000000, 0.0000012400000000 ] - [ 0.0001878300000000, 0.0000494300000000, 0.0000006900000000 ] - [ 0.0000132200000000, 0.0001301300000000, 0.0000000100000000 ] - [ -0.0000051100000000, -0.0000560900000000, 0.0000039700000000 ] - [ 0.0000229100000000, 0.0003892300000000, -0.0005068400000000 ] - [ -0.0000870700000000, -0.0001738600000000, -0.0000010000000000 ] - [ 0.0000107300000000, 0.0004857100000000, 0.0000037800000000 ] - [ 0.0000197000000000, -0.0001353200000000, 0.0000010900000000 ] - [ 0.0000193800000000, -0.0000611700000000, 0.0000017800000000 ] - [ -0.0000272400000000, 0.0000366200000000, -0.0000015300000000 ] - [ -0.0004675900000000, -0.0000061900000000, 0.0000028100000000 ] - [ 0.0001399900000000, 0.0000180000000000, -0.0000005400000000 ] - [ 0.0000029700000000, -0.0000990600000000, -0.0000126300000000 ] - [ -0.0002032900000000, -0.0000682300000000, 0.0002141300000000 ] - [ 0.0000652800000000, 0.0000015300000000, -0.0000009700000000 ] - [ -0.0000081800000000, 0.0001221500000000, 0.0000008600000000 ] - [ 0.0001815300000000, -0.0000887900000000, -0.0000017300000000 ] - [ 0.0002163900000000, -0.0002715700000000, 0.0000003100000000 ] - [ -0.0000169800000000, 0.0000512200000000, 0.0000002900000000 ] - [ -0.0003408500000000, 0.0001321900000000, -0.0000000500000000 ] - [ -0.0000064700000000, 0.0000568600000000, 0.0000020600000000 ] - [ -0.0001925100000000, 0.0002812000000000, 0.0000003500000000 ] - [ -0.0001310600000000, 0.0000028400000000, 0.0000092800000000 ] - [ -0.0003169700000000, -0.0006924900000000, 0.0189598200000000 ] - [ -0.0000300400000000, 0.0000725300000000, -0.0004569900000000 ] - [ -0.0000750400000000, 0.0000009300000000, 0.0000086900000000 ] - [ 0.0003275300000000, -0.0001635600000000, 0.0000003100000000 ] - [ 0.0001491600000000, -0.0000263400000000, 0.0000001900000000 ] - [ -0.0000112900000000, 0.0001051500000000, 0.0003851800000000 ] - [ 0.0004750600000000, -0.0000154100000000, -0.0000135600000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0028901900000000, 0.0063926700000000, 0.0000000000000000 ] - [ -0.0051129400000000, 0.0004318600000000, 0.0000000000000000 ] - [ -0.0058158000000000, 0.0002723400000000, 0.0000000000000000 ] - [ -0.0053666100000000, 0.0030165900000000, 0.0000000000000000 ] - [ -0.0081169100000000, 0.0004478100000000, 0.0000000000000000 ] - [ -0.0069698300000000, 0.0012768900000000, 0.0000000000000000 ] - [ -0.0059103300000000, -0.0046778000000000, 0.0000000000000000 ] - [ -0.0143358800000000, 0.0405474400000000, 0.0000000000000000 ] - [ -0.0044387600000000, -0.0038985400000000, 0.0000000000000000 ] - [ 0.0602948800000000, 0.0413508500000000, 0.0000000000000000 ] - [ -0.0034611700000000, -0.0000539700000000, 0.0000000000000000 ] - [ -0.0064664100000000, 0.0020277300000000, 0.0000000000000000 ] - [ -0.0121762900000000, -0.0149578600000000, 0.0000000000000000 ] - [ -0.0089249600000000, 0.0272032200000000, 0.0000000000000000 ] - [ -0.0115499700000000, 0.0031164300000000, 0.0000000000000000 ] - [ -0.0037401400000000, 0.0052315800000000, 0.0000000000000000 ] - [ 0.0039995700000000, 0.0004186000000000, 0.0000000000000000 ] - [ 0.0371048400000000, -0.0052023100000000, 0.0000000000000000 ] - [ 0.0050834300000000, -0.0055886700000000, 0.0000000000000000 ] - [ 0.0025244700000000, -0.0039987600000000, 0.0000000000000000 ] - [ 0.0055206500000000, -0.0091476000000000, 0.0000000000000000 ] - [ 0.0013442600000000, -0.0049093300000000, 0.0000000000000000 ] - [ -0.0145634300000000, -0.0151838400000000, 0.0000000000000000 ] - [ -0.0024115700000000, -0.0027863700000000, 0.0000000000000000 ] - [ 0.0757119900000000, 0.0554213300000000, 0.0000000000000000 ] - [ -0.0032980100000000, -0.0037458200000000, 0.0000000000000000 ] - [ 0.0236489600000000, -0.0001162100000000, 0.0000000000000000 ] - [ 0.0034581400000000, -0.0035800000000000, 0.0000000000000000 ] - [ -0.0050358200000000, -0.0062541400000000, 0.0000000000000000 ] - [ -0.0004194300000000, -0.0024892600000000, 0.0000000000000000 ] - [ 0.0007612100000000, -0.0063119400000000, 0.0000000000000000 ] - [ 0.0051728000000000, -0.0005979300000000, 0.0000000000000000 ] - [ 0.0027137200000000, -0.0026106300000000, 0.0000000000000000 ] - [ -0.0013614900000000, 0.0022814300000000, 0.0000000000000000 ] - [ 0.0017115600000000, -0.0003299500000000, 0.0000000000000000 ] - [ 0.0012897800000000, -0.0008391500000000, 0.0000000000000000 ] - [ -0.0059327300000000, 0.0079075500000000, 0.0000000000000000 ] - [ 0.0294903500000000, -0.0201104000000000, 0.0000000000000000 ] - [ 0.0061131800000000, -0.0067783900000000, 0.0000000000000000 ] - [ 0.0010178800000000, -0.0009471600000000, 0.0000000000000000 ] - [ 0.0034583800000000, 0.0024764100000000, 0.0000000000000000 ] - [ -0.1961122100000000, -0.1606298000000000, 0.0000000000000000 ] - [ 0.0007688000000000, 0.0000370800000000, 0.0000000000000000 ] - [ 0.0005492100000000, 0.0006153400000000, 0.0000000000000000 ] - [ 0.0026601600000000, 0.0017813200000000, 0.0000000000000000 ] - [ 0.0024054200000000, -0.0008569500000000, 0.0000000000000000 ] - [ -0.0025960300000000, -0.0026149300000000, 0.0000000000000000 ] - [ -0.0366591700000000, 0.0307460500000000, 0.0000000000000000 ] - [ 0.0009060300000000, 0.0005323700000000, 0.0000000000000000 ] - [ 0.0042337200000000, -0.0032017300000000, 0.0000000000000000 ] - [ 0.0035613700000000, 0.0029177000000000, 0.0000000000000000 ] - [ 0.0029857300000000, 0.0005106100000000, 0.0000000000000000 ] - [ 0.0014819600000000, -0.0035400300000000, 0.0000000000000000 ] - [ 0.0009378600000000, -0.0001073400000000, 0.0000000000000000 ] - [ 0.0023816700000000, 0.0006638000000000, 0.0000000000000000 ] - [ 0.0030021500000000, 0.0011504800000000, 0.0000000000000000 ] - [ 0.0022390700000000, -0.0004968500000000, 0.0000000000000000 ] - [ 0.0029776500000000, -0.0014011800000000, 0.0000000000000000 ] - [ 0.0018908900000000, 0.0013631500000000, 0.0000000000000000 ] - [ 0.0036468400000000, 0.0018860100000000, 0.0000000000000000 ] - [ 0.0023784200000000, 0.0006981400000000, 0.0000000000000000 ] - [ 0.0251117500000000, 0.0213847100000000, 0.0000000000000000 ] - [ 0.0024276300000000, -0.0001611000000000, 0.0000000000000000 ] - [ 0.0035590900000000, 0.0034788700000000, 0.0000000000000000 ] - [ 0.0042063800000000, -0.0030967700000000, 0.0000000000000000 ] - [ -0.0154114500000000, -0.0162227500000000, 0.0000000000000000 ] - [ 0.0025333400000000, -0.0030727700000000, 0.0000000000000000 ] - [ 0.0026527500000000, -0.0004681000000000, 0.0000000000000000 ] - [ 0.0048063300000000, 0.0006497800000000, 0.0000000000000000 ] - [ 0.0050146800000000, -0.0043227700000000, 0.0000000000000000 ] - [ 0.0026431600000000, -0.0030899800000000, 0.0000000000000000 ] - [ 0.0078751100000000, 0.0087832700000000, 0.0000000000000000 ] - [ -0.0055563800000000, 0.0035910100000000, 0.0000000000000000 ] - [ 0.0068973700000000, -0.0055380600000000, 0.0000000000000000 ] - [ -0.0200413400000000, 0.0160649300000000, 0.0000000000000000 ] - [ -0.0024681200000000, 0.0004495800000000, 0.0000000000000000 ] - [ 0.0032357700000000, -0.0011068300000000, 0.0000000000000000 ] - [ -0.0004115700000000, 0.0007411100000000, 0.0000000000000000 ] - [ -0.0005440200000000, 0.0011233000000000, 0.0000000000000000 ] - [ -0.0023412800000000, 0.0011983100000000, 0.0000000000000000 ] - [ 0.0035003300000000, 0.0042449600000000, 0.0000000000000000 ] - [ 0.0026586600000000, 0.0028021100000000, 0.0000000000000000 ] - [ 0.0007928100000000, 0.0116920600000000, 0.0000000000000000 ] - [ 0.0445410800000000, -0.0308146600000000, 0.0000000000000000 ] - [ -0.0022193800000000, -0.0004432100000000, 0.0000000000000000 ] - [ -0.0008200300000000, 0.0014695700000000, 0.0000000000000000 ] - [ -0.0034360900000000, -0.0031955700000000, 0.0000000000000000 ] - [ 0.0014730000000000, -0.0006186000000000, 0.0000000000000000 ] - [ -0.0034166500000000, 0.0013529600000000, 0.0000000000000000 ] - [ -0.0038609300000000, 0.0039493000000000, 0.0000000000000000 ] - [ 0.0025106700000000, 0.0040176800000000, 0.0000000000000000 ] - [ 0.0002053500000000, 0.0017351600000000, 0.0000000000000000 ] - [ -0.0002445000000000, 0.0004861400000000, 0.0000000000000000 ] - [ -0.0002427400000000, 0.0006628700000000, 0.0000000000000000 ] - [ -0.0008900900000000, -0.0002587700000000, 0.0000000000000000 ] - [ 0.0010420200000000, 0.0019405600000000, 0.0000000000000000 ] - [ -0.0010466900000000, 0.0017699300000000, 0.0000000000000000 ] - [ -0.0051146400000000, 0.0062237600000000, 0.0000000000000000 ] - [ -0.0216232600000000, -0.0233331900000000, 0.0000000000000000 ] - [ -0.0010363900000000, 0.0012327700000000, 0.0000000000000000 ] - [ 0.0000243600000000, 0.0023438700000000, 0.0000000000000000 ] - [ 0.0032288600000000, 0.0042571900000000, 0.0000000000000000 ] - [ -0.0008426400000000, 0.0020989900000000, 0.0000000000000000 ] - [ 0.0265596200000000, 0.0284494100000000, 0.0000000000000000 ] - [ -0.0019463000000000, 0.0031455900000000, 0.0000000000000000 ] - [ 0.0011981500000000, 0.0005912200000000, 0.0000000000000000 ] - [ -0.0004403200000000, 0.0008230400000000, 0.0000000000000000 ] - [ -0.0007057900000000, 0.0017350400000000, 0.0000000000000000 ] - [ 0.0018997900000000, 0.0022422800000000, 0.0000000000000000 ] - [ -0.0022650100000000, 0.0030629400000000, 0.0000000000000000 ] - [ -0.0006273900000000, 0.0004951200000000, 0.0000000000000000 ] - [ 0.0011939900000000, 0.0006957900000000, 0.0000000000000000 ]- atom: 42 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0028848700000000, -0.0061092300000000, 0.0000000000000000 ] - [ 0.0050920900000000, 0.0012867500000000, 0.0000000000000000 ] - [ 0.0057993000000000, -0.0004685900000000, 0.0000000000000000 ] - [ 0.0051522900000000, -0.0030099700000000, 0.0000000000000000 ] - [ 0.0083447100000000, -0.0004610700000000, 0.0000000000000000 ] - [ 0.0071472500000000, -0.0012749000000000, 0.0000000000000000 ] - [ 0.0056453400000000, 0.0046801300000000, 0.0000000000000000 ] - [ 0.0126536300000000, -0.0402980800000000, 0.0000000000000000 ] - [ 0.0044254500000000, 0.0021772800000000, 0.0000000000000000 ] - [ -0.0608850700000000, -0.0448409500000000, 0.0000000000000000 ] - [ 0.0037015300000000, 0.0000652000000000, 0.0000000000000000 ] - [ 0.0064462500000000, -0.0018319000000000, 0.0000000000000000 ] - [ 0.0121397600000000, 0.0151832400000000, 0.0000000000000000 ] - [ 0.0088043500000000, -0.0274361800000000, 0.0000000000000000 ] - [ 0.0115258000000000, -0.0033949400000000, 0.0000000000000000 ] - [ 0.0034618200000000, -0.0052338600000000, 0.0000000000000000 ] - [ -0.0040005600000000, -0.0001483100000000, 0.0000000000000000 ] - [ -0.0369327600000000, 0.0068248700000000, 0.0000000000000000 ] - [ -0.0050552800000000, 0.0053901600000000, 0.0000000000000000 ] - [ -0.0027148100000000, 0.0040000700000000, 0.0000000000000000 ] - [ -0.0052641500000000, 0.0091217400000000, 0.0000000000000000 ] - [ -0.0011370400000000, 0.0049045400000000, 0.0000000000000000 ] - [ 0.0143195700000000, 0.0151552400000000, 0.0000000000000000 ] - [ 0.0006783100000000, 0.0027896000000000, 0.0000000000000000 ] - [ -0.0723989800000000, -0.0529624300000000, 0.0000000000000000 ] - [ 0.0050075800000000, 0.0037396700000000, 0.0000000000000000 ] - [ -0.0234373000000000, 0.0002140500000000, 0.0000000000000000 ] - [ -0.0034435200000000, 0.0037754000000000, 0.0000000000000000 ] - [ 0.0050227800000000, 0.0064840600000000, 0.0000000000000000 ] - [ 0.0004178900000000, 0.0022384900000000, 0.0000000000000000 ] - [ -0.0007596300000000, 0.0060539500000000, 0.0000000000000000 ] - [ -0.0054049700000000, 0.0005989300000000, 0.0000000000000000 ] - [ -0.0030682100000000, 0.0020006400000000, 0.0000000000000000 ] - [ 0.0009008400000000, -0.0027447600000000, 0.0000000000000000 ] - [ -0.0013406100000000, 0.0009254500000000, 0.0000000000000000 ] - [ -0.0013414700000000, 0.0007473300000000, 0.0000000000000000 ] - [ 0.0063956500000000, -0.0074392500000000, 0.0000000000000000 ] - [ -0.0302097900000000, 0.0197506600000000, 0.0000000000000000 ] - [ -0.0054929800000000, 0.0071045400000000, 0.0000000000000000 ] - [ -0.0010988700000000, 0.0008845700000000, 0.0000000000000000 ] - [ -0.0033684900000000, -0.0025297300000000, 0.0000000000000000 ] - [ 0.1945208000000000, 0.1602163100000000, 0.0000000000000000 ] - [ -0.0007667700000000, -0.0010024300000000, 0.0000000000000000 ] - [ -0.0002989600000000, -0.0003756700000000, 0.0000000000000000 ] - [ -0.0026051800000000, -0.0015012900000000, 0.0000000000000000 ] - [ -0.0023980500000000, 0.0007265600000000, 0.0000000000000000 ] - [ 0.0021382300000000, 0.0030757500000000, 0.0000000000000000 ] - [ 0.0365235200000000, -0.0308045900000000, 0.0000000000000000 ] - [ -0.0009014800000000, 0.0004324500000000, 0.0000000000000000 ] - [ -0.0041739900000000, 0.0029205800000000, 0.0000000000000000 ] - [ -0.0034972600000000, -0.0029973000000000, 0.0000000000000000 ] - [ -0.0030611400000000, -0.0004477700000000, 0.0000000000000000 ] - [ -0.0024505700000000, 0.0035275700000000, 0.0000000000000000 ] - [ -0.0006583900000000, 0.0001569400000000, 0.0000000000000000 ] - [ -0.0024178400000000, -0.0009299000000000, 0.0000000000000000 ] - [ -0.0032615600000000, -0.0011962100000000, 0.0000000000000000 ] - [ -0.0021011400000000, 0.0004968100000000, 0.0000000000000000 ] - [ -0.0030149200000000, 0.0016721200000000, 0.0000000000000000 ] - [ -0.0016389900000000, -0.0016017400000000, 0.0000000000000000 ] - [ -0.0032668000000000, -0.0024789900000000, 0.0000000000000000 ] - [ -0.0024265600000000, -0.0006079900000000, 0.0000000000000000 ] - [ -0.0257697100000000, -0.0210156900000000, 0.0000000000000000 ] - [ -0.0024206400000000, 0.0002904200000000, 0.0000000000000000 ] - [ -0.0039189700000000, -0.0028750700000000, 0.0000000000000000 ] - [ -0.0044708200000000, 0.0031390700000000, 0.0000000000000000 ] - [ 0.0159279200000000, 0.0157404400000000, 0.0000000000000000 ] - [ -0.0024333700000000, 0.0031247800000000, 0.0000000000000000 ] - [ -0.0027767300000000, 0.0004683200000000, 0.0000000000000000 ] - [ -0.0041759500000000, -0.0009833800000000, 0.0000000000000000 ] - [ -0.0047260600000000, 0.0042638400000000, 0.0000000000000000 ] - [ -0.0025786000000000, 0.0031712400000000, 0.0000000000000000 ] - [ -0.0068648500000000, -0.0088205600000000, 0.0000000000000000 ] - [ 0.0051858200000000, -0.0041835900000000, 0.0000000000000000 ] - [ -0.0073668000000000, 0.0050781000000000, 0.0000000000000000 ] - [ 0.0203795000000000, -0.0155828700000000, 0.0000000000000000 ] - [ 0.0024132800000000, -0.0005470300000000, 0.0000000000000000 ] - [ -0.0027694800000000, 0.0015698200000000, 0.0000000000000000 ] - [ -0.0001879100000000, -0.0011066400000000, 0.0000000000000000 ] - [ 0.0011531200000000, -0.0007655200000000, 0.0000000000000000 ] - [ 0.0022575100000000, -0.0012596400000000, 0.0000000000000000 ] - [ -0.0034110800000000, -0.0042920200000000, 0.0000000000000000 ] - [ -0.0028963800000000, -0.0025520100000000, 0.0000000000000000 ] - [ -0.0009231400000000, -0.0126180800000000, 0.0000000000000000 ] - [ -0.0438394200000000, 0.0307370400000000, 0.0000000000000000 ] - [ 0.0022506000000000, 0.0006954400000000, 0.0000000000000000 ] - [ 0.0008163500000000, -0.0015994100000000, 0.0000000000000000 ] - [ 0.0029549300000000, 0.0036422000000000, 0.0000000000000000 ] - [ -0.0017091700000000, 0.0003726300000000, 0.0000000000000000 ] - [ 0.0034012000000000, -0.0003771900000000, 0.0000000000000000 ] - [ 0.0038985800000000, -0.0042143900000000, 0.0000000000000000 ] - [ -0.0024507000000000, -0.0040902600000000, 0.0000000000000000 ] - [ -0.0002897800000000, -0.0016765900000000, 0.0000000000000000 ] - [ -0.0007178100000000, -0.0004863600000000, 0.0000000000000000 ] - [ 0.0005136500000000, -0.0006189700000000, 0.0000000000000000 ] - [ 0.0008343800000000, -0.0000218600000000, 0.0000000000000000 ] - [ -0.0013184300000000, -0.0019882800000000, 0.0000000000000000 ] - [ 0.0011729300000000, -0.0017690600000000, 0.0000000000000000 ] - [ 0.0050473900000000, -0.0059326300000000, 0.0000000000000000 ] - [ 0.0216805500000000, 0.0230089500000000, 0.0000000000000000 ] - [ 0.0013954400000000, -0.0018170700000000, 0.0000000000000000 ] - [ -0.0000813200000000, -0.0022564200000000, 0.0000000000000000 ] - [ -0.0038217900000000, -0.0038785400000000, 0.0000000000000000 ] - [ 0.0008386700000000, -0.0019671300000000, 0.0000000000000000 ] - [ -0.0267814500000000, -0.0277321400000000, 0.0000000000000000 ] - [ 0.0016647300000000, -0.0030911000000000, 0.0000000000000000 ] - [ -0.0007350800000000, -0.0010560500000000, 0.0000000000000000 ] - [ 0.0005248100000000, -0.0007666300000000, 0.0000000000000000 ] - [ 0.0005721800000000, -0.0017342400000000, 0.0000000000000000 ] - [ -0.0012960200000000, -0.0026065200000000, 0.0000000000000000 ] - [ 0.0025382800000000, -0.0031098800000000, 0.0000000000000000 ] - [ 0.0006817600000000, -0.0004105600000000, 0.0000000000000000 ] - [ -0.0002276400000000, -0.0006925200000000, 0.0000000000000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000015000000000, 0.0001270600000000, 0.0000008500000000 ] - [ 0.0000033100000000, 0.0008579000000000, -0.0000000900000000 ] - [ -0.0000016300000000, -0.0000986400000000, 0.0000001600000000 ] - [ -0.0001001500000000, -0.0000006400000000, -0.0000006200000000 ] - [ 0.0001290400000000, -0.0000025700000000, -0.0000004400000000 ] - [ 0.0001001800000000, 0.0000064200000000, -0.0000021800000000 ] - [ -0.0001283700000000, -0.0000007700000000, 0.0000105200000000 ] - [ -0.0008647400000000, -0.0000006500000000, 0.0001988800000000 ] - [ -0.0000008200000000, -0.0008608200000000, -0.0000008400000000 ] - [ 0.0011902400000000, 0.0003950600000000, -0.0011789900000000 ] - [ 0.0001236500000000, 0.0000019000000000, 0.0000001100000000 ] - [ 0.0000022600000000, 0.0001003000000000, -0.0000003600000000 ] - [ -0.0000122800000000, 0.0001121200000000, 0.0000878900000000 ] - [ 0.0000097100000000, -0.0001245700000000, 0.0000969300000000 ] - [ 0.0000040300000000, -0.0001340200000000, 0.0000016600000000 ] - [ -0.0001207900000000, -0.0000036500000000, 0.0000019100000000 ] - [ 0.0000036500000000, 0.0001207900000000, 0.0000019100000000 ] - [ 0.0000006500000000, 0.0008647400000000, 0.0001988800000000 ] - [ -0.0000064200000000, -0.0001001800000000, -0.0000021800000000 ] - [ -0.0001003000000000, -0.0000022600000000, -0.0000003600000000 ] - [ 0.0001340200000000, -0.0000040300000000, 0.0000016600000000 ] - [ 0.0000986400000000, 0.0000016300000000, 0.0000001600000000 ] - [ -0.0001121200000000, 0.0000122800000000, 0.0000878900000000 ] - [ -0.0008579000000000, -0.0000033100000000, -0.0000000900000000 ] - [ -0.0003950600000000, -0.0011902400000000, -0.0011789900000000 ] - [ 0.0008608200000000, 0.0000008200000000, -0.0000008400000000 ] - [ 0.0001245700000000, -0.0000097100000000, 0.0000969300000000 ] - [ 0.0000006400000000, 0.0001001500000000, -0.0000006200000000 ] - [ 0.0000007700000000, 0.0001283700000000, 0.0000105200000000 ] - [ -0.0000019000000000, -0.0001236500000000, 0.0000001100000000 ] - [ 0.0000025700000000, -0.0001290400000000, -0.0000004400000000 ] - [ -0.0001270600000000, 0.0000015000000000, 0.0000008500000000 ] - [ -0.0001850900000000, -0.0003007000000000, -0.0000005300000000 ] - [ -0.0002338000000000, -0.0002316400000000, -0.0000006700000000 ] - [ 0.0001838800000000, 0.0003002300000000, -0.0000002300000000 ] - [ -0.0000273300000000, -0.0000438300000000, -0.0000005700000000 ] - [ 0.0002256500000000, 0.0002416500000000, 0.0000043700000000 ] - [ -0.0002924100000000, -0.0001842300000000, -0.0011837900000000 ] - [ 0.0003033100000000, 0.0001808500000000, 0.0000040000000000 ] - [ -0.0000427700000000, -0.0000280600000000, -0.0000007700000000 ] - [ 0.0000450600000000, -0.0000259800000000, 0.0000357900000000 ] - [ -0.0000705000000000, 0.0000705000000000, -0.0363731000000000 ] - [ 0.0000000100000000, -0.0004813800000000, 0.0000001700000000 ] - [ 0.0001213800000000, 0.0001238800000000, -0.0000002700000000 ] - [ 0.0000271200000000, 0.0001386300000000, -0.0000002900000000 ] - [ -0.0000001900000000, -0.0000650000000000, -0.0000002900000000 ] - [ -0.0002334500000000, 0.0002334500000000, 0.0000011700000000 ] - [ -0.0001274200000000, -0.0001103700000000, -0.0016834600000000 ] - [ -0.0000003200000000, 0.0004819700000000, -0.0000000900000000 ] - [ 0.0000239100000000, -0.0001355300000000, -0.0000001600000000 ] - [ 0.0000331500000000, -0.0000389100000000, 0.0000009300000000 ] - [ -0.0000433300000000, 0.0000284800000000, -0.0000012200000000 ] - [ -0.0004791200000000, 0.0000000700000000, -0.0001529900000000 ] - [ 0.0001388300000000, 0.0000265700000000, -0.0000005700000000 ] - [ -0.0000269900000000, -0.0001379600000000, -0.0000006600000000 ] - [ -0.0001410500000000, -0.0000299000000000, 0.0000161700000000 ] - [ 0.0000643400000000, -0.0000008900000000, -0.0000000600000000 ] - [ -0.0000241400000000, 0.0001370100000000, -0.0000006500000000 ] - [ 0.0001222100000000, -0.0001222100000000, -0.0000002700000000 ] - [ 0.0001812900000000, -0.0003032800000000, -0.0000003800000000 ] - [ -0.0000280100000000, 0.0000430300000000, 0.0000002500000000 ] - [ -0.0002467800000000, 0.0002266900000000, 0.0020184100000000 ] - [ -0.0000002300000000, 0.0000633100000000, -0.0000004100000000 ] - [ -0.0001809800000000, 0.0003032400000000, -0.0000012200000000 ] - [ -0.0001322400000000, 0.0000203700000000, 0.0000000800000000 ] - [ 0.0002328200000000, -0.0002328200000000, -0.0000723000000000 ] - [ 0.0000391600000000, 0.0000283900000000, -0.0000367600000000 ] - [ -0.0000648000000000, -0.0000009200000000, 0.0000009300000000 ] - [ 0.0003044700000000, -0.0001779800000000, 0.0000242100000000 ] - [ 0.0001370800000000, -0.0000247800000000, -0.0000006800000000 ] - [ 0.0000255300000000, 0.0000432600000000, -0.0000017000000000 ] - [ 0.0003997600000000, -0.0000813000000000, 0.0200261700000000 ] - [ -0.0001808500000000, -0.0003033100000000, 0.0000040000000000 ] - [ -0.0002416500000000, -0.0002256500000000, 0.0000043700000000 ] - [ 0.0001842300000000, 0.0002924100000000, -0.0011837900000000 ] - [ -0.0000283900000000, -0.0000391600000000, -0.0000367600000000 ] - [ 0.0002316400000000, 0.0002338000000000, -0.0000006700000000 ] - [ -0.0003002300000000, -0.0001838800000000, -0.0000002300000000 ] - [ 0.0003007000000000, 0.0001850900000000, -0.0000005300000000 ] - [ -0.0000432600000000, -0.0000255300000000, -0.0000017000000000 ] - [ 0.0000389100000000, -0.0000331500000000, 0.0000009300000000 ] - [ -0.0001227100000000, 0.0001227100000000, 0.0000000300000000 ] - [ 0.0000813000000000, -0.0003997600000000, 0.0200261700000000 ] - [ 0.0001103700000000, 0.0001274200000000, -0.0016834600000000 ] - [ 0.0000299000000000, 0.0001410500000000, 0.0000161700000000 ] - [ 0.0000008900000000, -0.0000643400000000, -0.0000000600000000 ] - [ -0.0002327900000000, 0.0002327900000000, 0.0000000100000000 ] - [ -0.0001238800000000, -0.0001213800000000, -0.0000002700000000 ] - [ -0.0000000700000000, 0.0004791200000000, -0.0001529900000000 ] - [ 0.0000247800000000, -0.0001370800000000, -0.0000006800000000 ] - [ 0.0000259800000000, -0.0000450600000000, 0.0000357900000000 ] - [ -0.0000430300000000, 0.0000280100000000, 0.0000002500000000 ] - [ -0.0004819700000000, 0.0000003200000000, -0.0000000900000000 ] - [ 0.0001379600000000, 0.0000269900000000, -0.0000006600000000 ] - [ -0.0000265700000000, -0.0001388300000000, -0.0000005700000000 ] - [ -0.0001386300000000, -0.0000271200000000, -0.0000002900000000 ] - [ 0.0000650000000000, 0.0000001900000000, -0.0000002900000000 ] - [ -0.0000203700000000, 0.0001322400000000, 0.0000000800000000 ] - [ 0.0001213500000000, -0.0001213500000000, -0.0001119900000000 ] - [ 0.0001779800000000, -0.0003044700000000, 0.0000242100000000 ] - [ -0.0000284800000000, 0.0000433300000000, -0.0000012200000000 ] - [ -0.0003032400000000, 0.0001809800000000, -0.0000012200000000 ] - [ 0.0000009200000000, 0.0000648000000000, 0.0000009300000000 ] - [ -0.0002266900000000, 0.0002467800000000, 0.0020184100000000 ] - [ -0.0001370100000000, 0.0000241400000000, -0.0000006500000000 ] - [ 0.0002334200000000, -0.0002334200000000, -0.0000004000000000 ] - [ 0.0000438300000000, 0.0000273300000000, -0.0000005700000000 ] - [ -0.0000633100000000, 0.0000002300000000, -0.0000004100000000 ] - [ 0.0003032800000000, -0.0001812900000000, -0.0000003800000000 ] - [ 0.0001355300000000, -0.0000239100000000, -0.0000001600000000 ] - [ 0.0000280600000000, 0.0000427700000000, -0.0000007700000000 ] - [ 0.0004813800000000, -0.0000000100000000, 0.0000001700000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019926400000000, 0.0031490100000000, 0.0000000000000000 ] - [ 0.0050111500000000, 0.0008568000000000, 0.0000000000000000 ] - [ 0.0053622700000000, -0.0000981100000000, 0.0000000000000000 ] - [ 0.0010378400000000, 0.0009787900000000, 0.0000000000000000 ] - [ 0.0010218900000000, -0.0004557300000000, 0.0000000000000000 ] - [ 0.0012371000000000, -0.0009804200000000, 0.0000000000000000 ] - [ -0.0060947700000000, -0.0090554300000000, 0.0000000000000000 ] - [ -0.0024628500000000, 0.0009386200000000, 0.0000000000000000 ] - [ 0.0232392200000000, -0.0004199600000000, 0.0000000000000000 ] - [ -0.0007445000000000, -0.0009399500000000, 0.0000000000000000 ] - [ -0.0058761200000000, 0.0090707600000000, 0.0000000000000000 ] - [ 0.0009621300000000, 0.0000984300000000, 0.0000000000000000 ] - [ -0.0019960400000000, -0.0028964300000000, 0.0000000000000000 ] - [ -0.0000307400000000, -0.0003772700000000, 0.0000000000000000 ] - [ -0.0000296800000000, 0.0001201600000000, 0.0000000000000000 ] - [ 0.0007675700000000, 0.0004521700000000, 0.0000000000000000 ] - [ -0.0006793600000000, 0.0015873400000000, 0.0000000000000000 ] - [ -0.0025507500000000, 0.0008592600000000, 0.0000000000000000 ] - [ -0.0011662600000000, -0.0001001300000000, 0.0000000000000000 ] - [ -0.0015517800000000, 0.0007911900000000, 0.0000000000000000 ] - [ -0.0028988200000000, -0.0000603100000000, 0.0000000000000000 ] - [ -0.0013518500000000, -0.0007891300000000, 0.0000000000000000 ] - [ -0.0009777400000000, -0.0001909900000000, 0.0000000000000000 ] - [ -0.0029002300000000, 0.0078960900000000, 0.0000000000000000 ] - [ -0.0013180300000000, -0.0008598500000000, 0.0000000000000000 ] - [ -0.0012149500000000, -0.0079272200000000, 0.0000000000000000 ] - [ -0.0007218100000000, 0.0001913600000000, 0.0000000000000000 ] - [ -0.0021826000000000, 0.0001008200000000, 0.0000000000000000 ] - [ -0.0006837100000000, -0.0013337200000000, 0.0000000000000000 ] - [ -0.0040578500000000, -0.0022585700000000, 0.0000000000000000 ] - [ -0.0040592200000000, 0.0020112500000000, 0.0000000000000000 ] - [ -0.0031532300000000, 0.0000589400000000, 0.0000000000000000 ] - [ -0.0007267900000000, -0.0000564600000000, 0.0000000000000000 ] - [ 0.0028057600000000, -0.0024748100000000, 0.0000000000000000 ] - [ 0.0096856100000000, -0.0142153100000000, 0.0000000000000000 ] - [ 0.0005911900000000, -0.0023686300000000, 0.0000000000000000 ] - [ 0.0013492100000000, -0.0001929000000000, 0.0000000000000000 ] - [ -0.0002481800000000, -0.0000326600000000, 0.0000000000000000 ] - [ 0.0015997000000000, -0.0013897800000000, 0.0000000000000000 ] - [ 0.0008972200000000, -0.0014070700000000, 0.0000000000000000 ] - [ 0.0009817800000000, 0.0013502800000000, 0.0000000000000000 ] - [ 0.0006463100000000, 0.0008171700000000, 0.0000000000000000 ] - [ -0.0286137700000000, -0.0009215600000000, 0.0000000000000000 ] - [ 0.0009548100000000, -0.0087312900000000, 0.0000000000000000 ] - [ -0.0036630000000000, -0.0035025400000000, 0.0000000000000000 ] - [ -0.0004709900000000, -0.0000649500000000, 0.0000000000000000 ] - [ -0.0008517600000000, -0.0004745800000000, 0.0000000000000000 ] - [ 0.0007819300000000, -0.0006084800000000, 0.0000000000000000 ] - [ -0.0005080700000000, 0.0004827800000000, 0.0000000000000000 ] - [ -0.0004603100000000, 0.0002121000000000, 0.0000000000000000 ] - [ 0.0006401500000000, 0.0022851700000000, 0.0000000000000000 ] - [ -0.0001010000000000, -0.0000141100000000, 0.0000000000000000 ] - [ -0.0002130800000000, -0.0001976300000000, 0.0000000000000000 ] - [ -0.0007536400000000, -0.0012171000000000, 0.0000000000000000 ] - [ -0.0005102300000000, -0.0004853200000000, 0.0000000000000000 ] - [ -0.0000913600000000, 0.0001712200000000, 0.0000000000000000 ] - [ -0.0004646300000000, 0.0000317700000000, 0.0000000000000000 ] - [ -0.0037162700000000, 0.0037788900000000, 0.0000000000000000 ] - [ -0.0032881800000000, -0.0036548200000000, 0.0000000000000000 ] - [ -0.0003625800000000, -0.0005483400000000, 0.0000000000000000 ] - [ -0.0001355600000000, 0.0000867700000000, 0.0000000000000000 ] - [ 0.0009983300000000, 0.0017556400000000, 0.0000000000000000 ] - [ -0.0005260500000000, 0.0000649100000000, 0.0000000000000000 ] - [ 0.0092526000000000, 0.0148987500000000, 0.0000000000000000 ] - [ -0.0010319200000000, 0.0012711300000000, 0.0000000000000000 ] - [ 0.0004195800000000, -0.0001223100000000, 0.0000000000000000 ] - [ -0.0000154900000000, 0.0000711200000000, 0.0000000000000000 ] - [ -0.0005940800000000, -0.0000322100000000, 0.0000000000000000 ] - [ 0.0003544500000000, -0.0003304300000000, 0.0000000000000000 ] - [ 0.0001855900000000, -0.0002230700000000, 0.0000000000000000 ] - [ -0.0000805800000000, -0.0000016200000000, 0.0000000000000000 ] - [ 0.0007517700000000, 0.0001985400000000, 0.0000000000000000 ] - [ 0.0012581400000000, -0.0012393200000000, 0.0000000000000000 ] - [ -0.0000475500000000, -0.0003434200000000, 0.0000000000000000 ] - [ 0.0006510600000000, -0.0000192300000000, 0.0000000000000000 ] - [ 0.0002668100000000, -0.0002612100000000, 0.0000000000000000 ] - [ -0.0003849700000000, 0.0009388400000000, 0.0000000000000000 ] - [ 0.0000926000000000, 0.0003291000000000, 0.0000000000000000 ] - [ 0.0012870800000000, -0.0011505600000000, 0.0000000000000000 ] - [ 0.0002369100000000, -0.0003009700000000, 0.0000000000000000 ] - [ 0.0003216800000000, 0.0002456600000000, 0.0000000000000000 ] - [ 0.0007650800000000, 0.0088751600000000, 0.0000000000000000 ] - [ 0.0001807000000000, -0.0004822900000000, 0.0000000000000000 ] - [ 0.0008907300000000, -0.0005708800000000, 0.0000000000000000 ] - [ 0.0005467300000000, 0.0004317000000000, 0.0000000000000000 ] - [ 0.0005694300000000, -0.0000654800000000, 0.0000000000000000 ] - [ 0.0008830300000000, 0.0006580700000000, 0.0000000000000000 ] - [ -0.0035300100000000, 0.0034148300000000, 0.0000000000000000 ] - [ 0.0004322200000000, 0.0004820600000000, 0.0000000000000000 ] - [ 0.0013606300000000, -0.0010568200000000, 0.0000000000000000 ] - [ 0.0003228900000000, 0.0001754300000000, 0.0000000000000000 ] - [ 0.0010732900000000, 0.0001926400000000, 0.0000000000000000 ] - [ 0.0005872100000000, -0.0016774100000000, 0.0000000000000000 ] - [ 0.0002925700000000, -0.0000573000000000, 0.0000000000000000 ] - [ 0.0013099800000000, 0.0007807600000000, 0.0000000000000000 ] - [ 0.0013344600000000, 0.0012444700000000, 0.0000000000000000 ] - [ 0.0006600900000000, -0.0000031600000000, 0.0000000000000000 ] - [ 0.0004964300000000, -0.0001563300000000, 0.0000000000000000 ] - [ 0.0010267900000000, 0.0003640300000000, 0.0000000000000000 ] - [ 0.0016212300000000, 0.0006357300000000, 0.0000000000000000 ] - [ 0.0007918000000000, 0.0002819500000000, 0.0000000000000000 ] - [ 0.0006876600000000, 0.0015173600000000, 0.0000000000000000 ] - [ 0.0006039200000000, 0.0000653800000000, 0.0000000000000000 ] - [ 0.0002876300000000, 0.0006216500000000, 0.0000000000000000 ] - [ 0.0000175500000000, 0.0001078300000000, 0.0000000000000000 ] - [ 0.0032711900000000, 0.0020056400000000, 0.0000000000000000 ] - [ 0.0011592800000000, -0.0001369800000000, 0.0000000000000000 ] - [ 0.0005315600000000, 0.0000029400000000, 0.0000000000000000 ] - [ 0.0006895300000000, -0.0007000700000000, 0.0000000000000000 ] - [ 0.0016113900000000, -0.0012977600000000, 0.0000000000000000 ] - [ 0.0008472200000000, -0.0001965500000000, 0.0000000000000000 ] - [ 0.0015838700000000, 0.0017184800000000, 0.0000000000000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022497900000000, -0.0014956300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0040378900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0031191800000000, 0.0000000000000000 ] - [ 0.0002530500000000, -0.0021990700000000, 0.0000000000000000 ] - [ -0.0004221500000000, -0.0024515500000000, 0.0000000000000000 ] - [ -0.0002530500000000, -0.0021990700000000, 0.0000000000000000 ] - [ -0.0090962400000000, -0.0030212900000000, 0.0000000000000000 ] - [ -0.0003036600000000, -0.0015065000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0421140900000000, 0.0000000000000000 ] - [ 0.0003036600000000, -0.0015065000000000, 0.0000000000000000 ] - [ 0.0090962400000000, -0.0030212900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017433800000000, 0.0000000000000000 ] - [ -0.0022497900000000, -0.0014956300000000, 0.0000000000000000 ] - [ -0.0001544500000000, -0.0021499800000000, 0.0000000000000000 ] - [ 0.0001544500000000, -0.0021499800000000, 0.0000000000000000 ] - [ 0.0004221500000000, -0.0024515500000000, 0.0000000000000000 ] - [ 0.0020106900000000, -0.0013381400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006423700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000879300000000, 0.0000000000000000 ] - [ 0.0002750600000000, 0.0009937400000000, 0.0000000000000000 ] - [ -0.0008914800000000, 0.0012705300000000, 0.0000000000000000 ] - [ -0.0002750600000000, 0.0009937400000000, 0.0000000000000000 ] - [ -0.0006761100000000, -0.0009922100000000, 0.0000000000000000 ] - [ 0.0089987000000000, -0.0060855400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022068700000000, 0.0000000000000000 ] - [ -0.0089987000000000, -0.0060855400000000, 0.0000000000000000 ] - [ 0.0006761100000000, -0.0009922100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009436400000000, 0.0000000000000000 ] - [ -0.0020106900000000, -0.0013381400000000, 0.0000000000000000 ] - [ 0.0004868700000000, 0.0059176600000000, 0.0000000000000000 ] - [ -0.0004868700000000, 0.0059176600000000, 0.0000000000000000 ] - [ 0.0008914800000000, 0.0012705300000000, 0.0000000000000000 ] - [ -0.0015502700000000, 0.0014537200000000, 0.0000000000000000 ] - [ 0.0043814800000000, -0.0047613400000000, 0.0000000000000000 ] - [ -0.0125344400000000, 0.0053772200000000, 0.0000000000000000 ] - [ -0.0013371100000000, 0.0012715400000000, 0.0000000000000000 ] - [ 0.0014503200000000, -0.0006982400000000, 0.0000000000000000 ] - [ -0.0007280600000000, 0.0006237700000000, 0.0000000000000000 ] - [ -0.0007209700000000, 0.0013849200000000, 0.0000000000000000 ] - [ -0.0011431200000000, 0.0008515100000000, 0.0000000000000000 ] - [ 0.0011431200000000, 0.0008515100000000, 0.0000000000000000 ] - [ 0.0003973100000000, 0.0008352400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0522042600000000, 0.0000000000000000 ] - [ -0.0120160300000000, 0.0075024600000000, 0.0000000000000000 ] - [ 0.0005095600000000, 0.0013570900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007129100000000, 0.0000000000000000 ] - [ 0.0000312000000000, 0.0008309000000000, 0.0000000000000000 ] - [ -0.0001737800000000, 0.0001137100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013339400000000, 0.0000000000000000 ] - [ -0.0007116000000000, 0.0008499000000000, 0.0000000000000000 ] - [ 0.0013371100000000, 0.0012715400000000, 0.0000000000000000 ] - [ 0.0001917400000000, 0.0006613000000000, 0.0000000000000000 ] - [ -0.0005762100000000, 0.0002689900000000, 0.0000000000000000 ] - [ 0.0004457700000000, 0.0009253300000000, 0.0000000000000000 ] - [ 0.0007116000000000, 0.0008499000000000, 0.0000000000000000 ] - [ 0.0007137800000000, 0.0012034600000000, 0.0000000000000000 ] - [ -0.0000505100000000, 0.0008699300000000, 0.0000000000000000 ] - [ -0.0005095600000000, 0.0013570900000000, 0.0000000000000000 ] - [ 0.0009887500000000, 0.0018464400000000, 0.0000000000000000 ] - [ 0.0015502700000000, 0.0014537200000000, 0.0000000000000000 ] - [ 0.0002032600000000, 0.0007364800000000, 0.0000000000000000 ] - [ 0.0007209700000000, 0.0013849200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011289000000000, 0.0000000000000000 ] - [ 0.0125344400000000, 0.0053772200000000, 0.0000000000000000 ] - [ -0.0004457700000000, 0.0009253300000000, 0.0000000000000000 ] - [ 0.0006302500000000, 0.0004618000000000, 0.0000000000000000 ] - [ -0.0001917400000000, 0.0006613000000000, 0.0000000000000000 ] - [ 0.0000505100000000, 0.0008699300000000, 0.0000000000000000 ] - [ 0.0007280600000000, 0.0006237700000000, 0.0000000000000000 ] - [ -0.0007137800000000, 0.0012034600000000, 0.0000000000000000 ] - [ -0.0002032600000000, 0.0007364800000000, 0.0000000000000000 ] - [ 0.0005762100000000, 0.0002689900000000, 0.0000000000000000 ] - [ -0.0003135100000000, -0.0003235700000000, 0.0000000000000000 ] - [ -0.0006302500000000, 0.0004618000000000, 0.0000000000000000 ] - [ -0.0003140900000000, 0.0008607300000000, 0.0000000000000000 ] - [ -0.0004592600000000, 0.0003847500000000, 0.0000000000000000 ] - [ -0.0000312000000000, 0.0008309000000000, 0.0000000000000000 ] - [ 0.0032181800000000, -0.0038539000000000, 0.0000000000000000 ] - [ -0.0020277800000000, 0.0021134400000000, 0.0000000000000000 ] - [ -0.0005836900000000, 0.0003039400000000, 0.0000000000000000 ] - [ 0.0005836900000000, 0.0003039400000000, 0.0000000000000000 ] - [ 0.0120160300000000, 0.0075024600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002490800000000, 0.0000000000000000 ] - [ -0.0003973100000000, 0.0008352400000000, 0.0000000000000000 ] - [ -0.0000799500000000, 0.0001390900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004049900000000, 0.0000000000000000 ] - [ -0.0014503200000000, -0.0006982400000000, 0.0000000000000000 ] - [ -0.0009887500000000, 0.0018464400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005038000000000, 0.0000000000000000 ] - [ 0.0004085400000000, -0.0006277500000000, 0.0000000000000000 ] - [ 0.0004592600000000, 0.0003847500000000, 0.0000000000000000 ] - [ 0.0000433500000000, -0.0005559100000000, 0.0000000000000000 ] - [ -0.0028907400000000, 0.0010889900000000, 0.0000000000000000 ] - [ -0.0006568500000000, -0.0007041700000000, 0.0000000000000000 ] - [ -0.0004085400000000, -0.0006277500000000, 0.0000000000000000 ] - [ -0.0005901300000000, -0.0007463300000000, 0.0000000000000000 ] - [ -0.0000494100000000, -0.0002183300000000, 0.0000000000000000 ] - [ 0.0000799500000000, 0.0001390900000000, 0.0000000000000000 ] - [ 0.0001737800000000, 0.0001137100000000, 0.0000000000000000 ] - [ 0.0003135100000000, -0.0003235700000000, 0.0000000000000000 ] - [ -0.0000967000000000, -0.0004938000000000, 0.0000000000000000 ] - [ 0.0020277800000000, 0.0021134400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000525800000000, 0.0000000000000000 ] - [ 0.0003140900000000, 0.0008607300000000, 0.0000000000000000 ] - [ 0.0006568500000000, -0.0007041700000000, 0.0000000000000000 ] - [ -0.0043814800000000, -0.0047613400000000, 0.0000000000000000 ] - [ -0.0000433500000000, -0.0005559100000000, 0.0000000000000000 ] - [ 0.0000494100000000, -0.0002183300000000, 0.0000000000000000 ] - [ -0.0032181800000000, -0.0038539000000000, 0.0000000000000000 ] - [ 0.0005901300000000, -0.0007463300000000, 0.0000000000000000 ] - [ 0.0000967000000000, -0.0004938000000000, 0.0000000000000000 ] - [ 0.0028907400000000, 0.0010889900000000, 0.0000000000000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0022552200000000, 0.0017539200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0057524100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0028987900000000, 0.0000000000000000 ] - [ -0.0004613800000000, 0.0021933500000000, 0.0000000000000000 ] - [ 0.0006803200000000, 0.0024563000000000, 0.0000000000000000 ] - [ 0.0004613800000000, 0.0021933500000000, 0.0000000000000000 ] - [ 0.0088444000000000, 0.0030509400000000, 0.0000000000000000 ] - [ -0.0014171100000000, 0.0015028600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0429210800000000, 0.0000000000000000 ] - [ 0.0014171100000000, 0.0015028600000000, 0.0000000000000000 ] - [ -0.0088444000000000, 0.0030509400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019452200000000, 0.0000000000000000 ] - [ 0.0022552200000000, 0.0017539200000000, 0.0000000000000000 ] - [ 0.0001628000000000, 0.0018866200000000, 0.0000000000000000 ] - [ -0.0001628000000000, 0.0018866200000000, 0.0000000000000000 ] - [ -0.0006803200000000, 0.0024563000000000, 0.0000000000000000 ] - [ -0.0020137600000000, 0.0015917900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010796100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002957300000000, 0.0000000000000000 ] - [ -0.0004808700000000, -0.0009897400000000, 0.0000000000000000 ] - [ 0.0011484500000000, -0.0012582700000000, 0.0000000000000000 ] - [ 0.0004808700000000, -0.0009897400000000, 0.0000000000000000 ] - [ 0.0004166100000000, 0.0009794700000000, 0.0000000000000000 ] - [ -0.0107038300000000, 0.0060675100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004819000000000, 0.0000000000000000 ] - [ 0.0107038300000000, 0.0060675100000000, 0.0000000000000000 ] - [ -0.0004166100000000, 0.0009794700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007341700000000, 0.0000000000000000 ] - [ 0.0020137600000000, 0.0015917900000000, 0.0000000000000000 ] - [ -0.0004796800000000, -0.0061630600000000, 0.0000000000000000 ] - [ 0.0004796800000000, -0.0061630600000000, 0.0000000000000000 ] - [ -0.0011484500000000, -0.0012582700000000, 0.0000000000000000 ] - [ 0.0011867500000000, -0.0020607600000000, 0.0000000000000000 ] - [ -0.0048375200000000, 0.0042866500000000, 0.0000000000000000 ] - [ 0.0128606100000000, -0.0048511000000000, 0.0000000000000000 ] - [ 0.0012738300000000, -0.0013594100000000, 0.0000000000000000 ] - [ -0.0009832500000000, 0.0011583700000000, 0.0000000000000000 ] - [ 0.0001217100000000, -0.0009844200000000, 0.0000000000000000 ] - [ 0.0013252900000000, -0.0010207900000000, 0.0000000000000000 ] - [ 0.0010540000000000, -0.0009052900000000, 0.0000000000000000 ] - [ -0.0010540000000000, -0.0009052900000000, 0.0000000000000000 ] - [ -0.0006421000000000, -0.0005866800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0504268200000000, 0.0000000000000000 ] - [ 0.0122950200000000, -0.0072382000000000, 0.0000000000000000 ] - [ -0.0004639800000000, -0.0010773700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008333500000000, 0.0000000000000000 ] - [ -0.0004951900000000, -0.0003676500000000, 0.0000000000000000 ] - [ -0.0000726700000000, -0.0003593000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003729000000000, 0.0000000000000000 ] - [ 0.0007530400000000, -0.0011217700000000, 0.0000000000000000 ] - [ -0.0012738300000000, -0.0013594100000000, 0.0000000000000000 ] - [ -0.0002751100000000, -0.0006043300000000, 0.0000000000000000 ] - [ -0.0003832800000000, -0.0002681800000000, 0.0000000000000000 ] - [ -0.0001673600000000, -0.0008779300000000, 0.0000000000000000 ] - [ -0.0007530400000000, -0.0011217700000000, 0.0000000000000000 ] - [ -0.0009893000000000, -0.0012459400000000, 0.0000000000000000 ] - [ 0.0001791700000000, -0.0008686100000000, 0.0000000000000000 ] - [ 0.0004639800000000, -0.0010773700000000, 0.0000000000000000 ] - [ -0.0007417500000000, -0.0020857500000000, 0.0000000000000000 ] - [ -0.0011867500000000, -0.0020607600000000, 0.0000000000000000 ] - [ -0.0002582500000000, -0.0006535900000000, 0.0000000000000000 ] - [ -0.0013252900000000, -0.0010207900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009915100000000, 0.0000000000000000 ] - [ -0.0128606100000000, -0.0048511000000000, 0.0000000000000000 ] - [ 0.0001673600000000, -0.0008779300000000, 0.0000000000000000 ] - [ -0.0001640500000000, -0.0009246600000000, 0.0000000000000000 ] - [ 0.0002751100000000, -0.0006043300000000, 0.0000000000000000 ] - [ -0.0001791700000000, -0.0008686100000000, 0.0000000000000000 ] - [ -0.0001217100000000, -0.0009844200000000, 0.0000000000000000 ] - [ 0.0009893000000000, -0.0012459400000000, 0.0000000000000000 ] - [ 0.0002582500000000, -0.0006535900000000, 0.0000000000000000 ] - [ 0.0003832800000000, -0.0002681800000000, 0.0000000000000000 ] - [ -0.0000478000000000, -0.0002843300000000, 0.0000000000000000 ] - [ 0.0001640500000000, -0.0009246600000000, 0.0000000000000000 ] - [ 0.0006749100000000, -0.0002542300000000, 0.0000000000000000 ] - [ 0.0004030900000000, -0.0004681200000000, 0.0000000000000000 ] - [ 0.0004951900000000, -0.0003676500000000, 0.0000000000000000 ] - [ -0.0038148600000000, 0.0034830200000000, 0.0000000000000000 ] - [ 0.0026259200000000, -0.0017444300000000, 0.0000000000000000 ] - [ 0.0005007300000000, -0.0003597200000000, 0.0000000000000000 ] - [ -0.0005007300000000, -0.0003597200000000, 0.0000000000000000 ] - [ -0.0122950200000000, -0.0072382000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007101900000000, 0.0000000000000000 ] - [ 0.0006421000000000, -0.0005866800000000, 0.0000000000000000 ] - [ 0.0001220000000000, 0.0001353900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002750500000000, 0.0000000000000000 ] - [ 0.0009832500000000, 0.0011583700000000, 0.0000000000000000 ] - [ 0.0007417500000000, -0.0020857500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004544200000000, 0.0000000000000000 ] - [ -0.0003651400000000, 0.0003512400000000, 0.0000000000000000 ] - [ -0.0004030900000000, -0.0004681200000000, 0.0000000000000000 ] - [ -0.0001264200000000, 0.0006097700000000, 0.0000000000000000 ] - [ 0.0019310500000000, -0.0010810300000000, 0.0000000000000000 ] - [ 0.0009293700000000, 0.0007450600000000, 0.0000000000000000 ] - [ 0.0003651400000000, 0.0003512400000000, 0.0000000000000000 ] - [ 0.0003138800000000, 0.0007003300000000, 0.0000000000000000 ] - [ 0.0001773000000000, 0.0002179800000000, 0.0000000000000000 ] - [ -0.0001220000000000, 0.0001353900000000, 0.0000000000000000 ] - [ 0.0000726700000000, -0.0003593000000000, 0.0000000000000000 ] - [ 0.0000478000000000, -0.0002843300000000, 0.0000000000000000 ] - [ 0.0000410800000000, 0.0005755000000000, 0.0000000000000000 ] - [ -0.0026259200000000, -0.0017444300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001818800000000, 0.0000000000000000 ] - [ -0.0006749100000000, -0.0002542300000000, 0.0000000000000000 ] - [ -0.0009293700000000, 0.0007450600000000, 0.0000000000000000 ] - [ 0.0048375200000000, 0.0042866500000000, 0.0000000000000000 ] - [ 0.0001264200000000, 0.0006097700000000, 0.0000000000000000 ] - [ -0.0001773000000000, 0.0002179800000000, 0.0000000000000000 ] - [ 0.0038148600000000, 0.0034830200000000, 0.0000000000000000 ] - [ -0.0003138800000000, 0.0007003300000000, 0.0000000000000000 ] - [ -0.0000410800000000, 0.0005755000000000, 0.0000000000000000 ] - [ -0.0019310500000000, -0.0010810300000000, 0.0000000000000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000328100000000, 0.0001539800000000, -0.0000232900000000 ] - [ 0.0000000000000000, 0.0009201000000000, -0.0000084000000000 ] - [ 0.0000000000000000, -0.0000391900000000, 0.0000305100000000 ] - [ -0.0001061200000000, 0.0000371700000000, -0.0000010400000000 ] - [ 0.0001302800000000, 0.0000387700000000, 0.0000002100000000 ] - [ 0.0001061200000000, 0.0000371700000000, -0.0000010400000000 ] - [ 0.0000049400000000, 0.0000421800000000, -0.0003847900000000 ] - [ -0.0008636300000000, 0.0000250800000000, 0.0000008900000000 ] - [ 0.0000000000000000, -0.0014703600000000, 0.0073302400000000 ] - [ 0.0008636300000000, 0.0000250800000000, 0.0000008900000000 ] - [ -0.0000049400000000, 0.0000421800000000, -0.0003847900000000 ] - [ 0.0000000000000000, 0.0001289500000000, -0.0000010100000000 ] - [ 0.0000328100000000, 0.0001539800000000, -0.0000232900000000 ] - [ 0.0000020500000000, -0.0000921500000000, -0.0000001100000000 ] - [ -0.0000020500000000, -0.0000921500000000, -0.0000001100000000 ] - [ -0.0001302800000000, 0.0000387700000000, 0.0000002100000000 ] - [ -0.0000355300000000, 0.0001543800000000, 0.0000018800000000 ] - [ 0.0000000000000000, 0.0008613800000000, -0.0000004800000000 ] - [ 0.0000000000000000, -0.0001035900000000, -0.0000002800000000 ] - [ -0.0001044800000000, -0.0000197800000000, -0.0000010300000000 ] - [ 0.0001441200000000, -0.0000191200000000, -0.0000030700000000 ] - [ 0.0001044800000000, -0.0000197800000000, -0.0000010300000000 ] - [ -0.0001160300000000, 0.0000188000000000, 0.0000006300000000 ] - [ -0.0010176800000000, 0.0000935600000000, -0.0003745800000000 ] - [ 0.0000000000000000, -0.0008321000000000, -0.0000002200000000 ] - [ 0.0010176800000000, 0.0000935600000000, -0.0003745800000000 ] - [ 0.0001160300000000, 0.0000188000000000, 0.0000006300000000 ] - [ 0.0000000000000000, 0.0000842400000000, -0.0000016900000000 ] - [ 0.0000355300000000, 0.0001543800000000, 0.0000018800000000 ] - [ -0.0000243100000000, -0.0002222400000000, 0.0000190000000000 ] - [ 0.0000243100000000, -0.0002222400000000, 0.0000190000000000 ] - [ -0.0001441200000000, -0.0000191200000000, -0.0000030700000000 ] - [ -0.0001627800000000, -0.0003285300000000, -0.0000013200000000 ] - [ -0.0003033200000000, -0.0001706900000000, -0.0000385300000000 ] - [ -0.0000022200000000, 0.0005345100000000, 0.0232401000000000 ] - [ 0.0000147200000000, -0.0000738800000000, 0.0004017000000000 ] - [ 0.0002130600000000, 0.0002429200000000, -0.0000000700000000 ] - [ -0.0002941600000000, -0.0001952100000000, -0.0000003000000000 ] - [ 0.0003170400000000, 0.0001633900000000, 0.0000093600000000 ] - [ -0.0000304800000000, -0.0000365400000000, 0.0001908300000000 ] - [ 0.0000304800000000, -0.0000365400000000, 0.0001908300000000 ] - [ -0.0001323600000000, 0.0001119400000000, 0.0000000500000000 ] - [ 0.0000000000000000, 0.0003696400000000, -0.0959691200000000 ] - [ 0.0006864900000000, -0.0003637500000000, 0.0200159100000000 ] - [ 0.0000185000000000, 0.0001185300000000, -0.0000411400000000 ] - [ 0.0000000000000000, -0.0000788900000000, 0.0000018100000000 ] - [ -0.0002390400000000, 0.0002165100000000, -0.0000007200000000 ] - [ -0.0001218500000000, -0.0001284200000000, 0.0000001200000000 ] - [ 0.0000000000000000, 0.0004698600000000, -0.0000006700000000 ] - [ 0.0000359700000000, -0.0001547800000000, -0.0000002900000000 ] - [ -0.0000147200000000, -0.0000738800000000, 0.0004017000000000 ] - [ -0.0000456800000000, 0.0000179200000000, -0.0000010300000000 ] - [ -0.0004784600000000, -0.0000040900000000, 0.0000034200000000 ] - [ 0.0001351800000000, 0.0000090000000000, -0.0000012500000000 ] - [ -0.0000359700000000, -0.0001547800000000, -0.0000002900000000 ] - [ -0.0001537300000000, -0.0000440700000000, -0.0000000900000000 ] - [ 0.0000680500000000, -0.0000152000000000, 0.0000028700000000 ] - [ -0.0000185000000000, 0.0001185300000000, -0.0000411400000000 ] - [ 0.0000935500000000, -0.0001579000000000, -0.0001529100000000 ] - [ 0.0001627800000000, -0.0003285300000000, -0.0000013200000000 ] - [ -0.0000315200000000, 0.0000297700000000, -0.0000000300000000 ] - [ -0.0003170400000000, 0.0001633900000000, 0.0000093600000000 ] - [ 0.0000000000000000, 0.0000461600000000, -0.0000137100000000 ] - [ 0.0000022200000000, 0.0005345100000000, 0.0232401000000000 ] - [ -0.0001351800000000, 0.0000090000000000, -0.0000012500000000 ] - [ 0.0002238200000000, -0.0002435000000000, -0.0000002300000000 ] - [ 0.0000456800000000, 0.0000179200000000, -0.0000010300000000 ] - [ -0.0000680500000000, -0.0000152000000000, 0.0000028700000000 ] - [ 0.0002941600000000, -0.0001952100000000, -0.0000003000000000 ] - [ 0.0001537300000000, -0.0000440700000000, -0.0000000900000000 ] - [ 0.0000315200000000, 0.0000297700000000, -0.0000000300000000 ] - [ 0.0004784600000000, -0.0000040900000000, 0.0000034200000000 ] - [ -0.0001787900000000, -0.0003024800000000, -0.0000001400000000 ] - [ -0.0002238200000000, -0.0002435000000000, -0.0000002300000000 ] - [ 0.0001909700000000, 0.0002909000000000, -0.0000001400000000 ] - [ -0.0000197000000000, -0.0000504600000000, 0.0000014400000000 ] - [ 0.0002390400000000, 0.0002165100000000, -0.0000007200000000 ] - [ -0.0003589200000000, -0.0001166000000000, -0.0000190300000000 ] - [ 0.0003565200000000, 0.0001393000000000, 0.0002331100000000 ] - [ -0.0000315900000000, -0.0000334800000000, 0.0000035500000000 ] - [ 0.0000315900000000, -0.0000334800000000, 0.0000035500000000 ] - [ -0.0006864900000000, -0.0003637500000000, 0.0200159100000000 ] - [ 0.0000000000000000, -0.0004841200000000, -0.0000001800000000 ] - [ 0.0001323600000000, 0.0001119400000000, 0.0000000500000000 ] - [ 0.0000251900000000, 0.0001391000000000, -0.0000003400000000 ] - [ 0.0000000000000000, -0.0000601000000000, 0.0000006000000000 ] - [ -0.0002130600000000, 0.0002429200000000, -0.0000000700000000 ] - [ -0.0000935500000000, -0.0001579000000000, -0.0001529100000000 ] - [ 0.0000000000000000, 0.0004785200000000, -0.0000000600000000 ] - [ 0.0000158400000000, -0.0001303400000000, -0.0000003000000000 ] - [ 0.0000197000000000, -0.0000504600000000, 0.0000014400000000 ] - [ -0.0000465800000000, 0.0000359200000000, -0.0000144400000000 ] - [ -0.0004736100000000, 0.0000279000000000, 0.0012474600000000 ] - [ 0.0001538200000000, 0.0000374600000000, -0.0000003600000000 ] - [ -0.0000158400000000, -0.0001303400000000, -0.0000003000000000 ] - [ -0.0001283800000000, -0.0000089600000000, 0.0000013100000000 ] - [ 0.0000670600000000, 0.0000041800000000, -0.0000005200000000 ] - [ -0.0000251900000000, 0.0001391000000000, -0.0000003400000000 ] - [ 0.0001218500000000, -0.0001284200000000, 0.0000001200000000 ] - [ 0.0001787900000000, -0.0003024800000000, -0.0000001400000000 ] - [ -0.0000282500000000, 0.0000493100000000, 0.0000034800000000 ] - [ -0.0003565200000000, 0.0001393000000000, 0.0002331100000000 ] - [ 0.0000000000000000, 0.0000689500000000, 0.0000002300000000 ] - [ -0.0001909700000000, 0.0002909000000000, -0.0000001400000000 ] - [ -0.0001538200000000, 0.0000374600000000, -0.0000003600000000 ] - [ 0.0003033200000000, -0.0001706900000000, -0.0000385300000000 ] - [ 0.0000465800000000, 0.0000359200000000, -0.0000144400000000 ] - [ -0.0000670600000000, 0.0000041800000000, -0.0000005200000000 ] - [ 0.0003589200000000, -0.0001166000000000, -0.0000190300000000 ] - [ 0.0001283800000000, -0.0000089600000000, 0.0000013100000000 ] - [ 0.0000282500000000, 0.0000493100000000, 0.0000034800000000 ] - [ 0.0004736100000000, 0.0000279000000000, 0.0012474600000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0091502100000000, 0.0124371000000000, 0.0000000000000000 ] - [ 0.0038471800000000, -0.0033970600000000, 0.0000000000000000 ] - [ 0.2120085400000000, 0.1567814800000000, 0.0000000000000000 ] - [ 0.0183601900000000, 0.0061548900000000, 0.0000000000000000 ] - [ 0.0044687700000000, -0.0040132200000000, 0.0000000000000000 ] - [ -0.0075252500000000, -0.0097330200000000, 0.0000000000000000 ] - [ -0.0135940800000000, 0.0227844100000000, 0.0000000000000000 ] - [ -0.0061186600000000, 0.0061548300000000, 0.0000000000000000 ] - [ 0.0193492400000000, -0.0050788700000000, 0.0000000000000000 ] - [ -0.0062401100000000, -0.0004251400000000, 0.0000000000000000 ] - [ 0.0005404500000000, -0.0065925600000000, 0.0000000000000000 ] - [ 0.0074368100000000, -0.0066023600000000, 0.0000000000000000 ] - [ -0.0102377800000000, 0.0036197500000000, 0.0000000000000000 ] - [ -0.0063085500000000, -0.0065065200000000, 0.0000000000000000 ] - [ 0.0029129400000000, 0.0005435200000000, 0.0000000000000000 ] - [ -0.0005499600000000, -0.0048660400000000, 0.0000000000000000 ] - [ -0.0009472500000000, -0.0020713700000000, 0.0000000000000000 ] - [ -0.0082945700000000, 0.0031781900000000, 0.0000000000000000 ] - [ -0.0023100400000000, -0.0014048400000000, 0.0000000000000000 ] - [ -0.0025692200000000, 0.0002386500000000, 0.0000000000000000 ] - [ -0.0074889000000000, 0.0030561400000000, 0.0000000000000000 ] - [ -0.0029849500000000, -0.0039718800000000, 0.0000000000000000 ] - [ -0.0007425300000000, -0.0010239900000000, 0.0000000000000000 ] - [ 0.0035481000000000, -0.0005411200000000, 0.0000000000000000 ] - [ -0.0042601600000000, -0.0002092500000000, 0.0000000000000000 ] - [ 0.0054573100000000, -0.0078605200000000, 0.0000000000000000 ] - [ -0.0034794800000000, -0.0022985200000000, 0.0000000000000000 ] - [ -0.0053678200000000, -0.0005420500000000, 0.0000000000000000 ] - [ 0.0007540700000000, -0.0041001200000000, 0.0000000000000000 ] - [ -0.0103733300000000, -0.0143857600000000, 0.0000000000000000 ] - [ -0.0038817700000000, 0.0059697500000000, 0.0000000000000000 ] - [ -0.0107734600000000, -0.0014308300000000, 0.0000000000000000 ] - [ -0.0022025900000000, 0.0022009100000000, 0.0000000000000000 ] - [ 0.0068703200000000, -0.0071697900000000, 0.0000000000000000 ] - [ -0.0152514100000000, 0.0150531100000000, 0.0000000000000000 ] - [ 0.0134373900000000, 0.0055655600000000, 0.0000000000000000 ] - [ 0.0057648900000000, -0.0047024800000000, 0.0000000000000000 ] - [ 0.0018395700000000, -0.0006180500000000, 0.0000000000000000 ] - [ 0.0056551000000000, -0.0067667600000000, 0.0000000000000000 ] - [ 0.0133846200000000, -0.0037429100000000, 0.0000000000000000 ] - [ 0.0032191500000000, -0.0009894000000000, 0.0000000000000000 ] - [ 0.0025132500000000, 0.0020898600000000, 0.0000000000000000 ] - [ -0.0036891100000000, 0.0000109100000000, 0.0000000000000000 ] - [ -0.0049504400000000, 0.0032316300000000, 0.0000000000000000 ] - [ -0.2716885500000000, -0.1913677500000000, 0.0000000000000000 ] - [ -0.0036833500000000, 0.0027926700000000, 0.0000000000000000 ] - [ 0.0013313000000000, 0.0020963500000000, 0.0000000000000000 ] - [ 0.0040815000000000, -0.0032075800000000, 0.0000000000000000 ] - [ -0.0004854300000000, 0.0012095500000000, 0.0000000000000000 ] - [ -0.0046307600000000, 0.0036120300000000, 0.0000000000000000 ] - [ 0.0034505800000000, -0.0024838500000000, 0.0000000000000000 ] - [ -0.0009149900000000, 0.0000516600000000, 0.0000000000000000 ] - [ 0.0004248300000000, -0.0012430900000000, 0.0000000000000000 ] - [ -0.0060764000000000, -0.0129906100000000, 0.0000000000000000 ] - [ 0.0003906000000000, 0.0020895100000000, 0.0000000000000000 ] - [ 0.0057924900000000, 0.0071586400000000, 0.0000000000000000 ] - [ -0.0084044900000000, 0.0028822800000000, 0.0000000000000000 ] - [ 0.0372691000000000, -0.0196946900000000, 0.0000000000000000 ] - [ -0.0007427000000000, -0.0002574300000000, 0.0000000000000000 ] - [ -0.0000094000000000, 0.0007010300000000, 0.0000000000000000 ] - [ -0.0010395000000000, 0.0004423200000000, 0.0000000000000000 ] - [ 0.0034127200000000, 0.0025355000000000, 0.0000000000000000 ] - [ -0.0065464300000000, 0.0120310500000000, 0.0000000000000000 ] - [ -0.0079708500000000, -0.0090874300000000, 0.0000000000000000 ] - [ 0.0038924800000000, -0.0010825500000000, 0.0000000000000000 ] - [ 0.0035262800000000, 0.0032781500000000, 0.0000000000000000 ] - [ 0.0006672500000000, 0.0017586700000000, 0.0000000000000000 ] - [ 0.0064328000000000, 0.0156322900000000, 0.0000000000000000 ] - [ -0.0009805300000000, -0.0021380700000000, 0.0000000000000000 ] - [ -0.0018898700000000, 0.0010726400000000, 0.0000000000000000 ] - [ 0.0000924600000000, 0.0014406300000000, 0.0000000000000000 ] - [ 0.0017040400000000, 0.0001968100000000, 0.0000000000000000 ] - [ 0.0048024800000000, -0.0037181400000000, 0.0000000000000000 ] - [ -0.0006237000000000, 0.0001658300000000, 0.0000000000000000 ] - [ 0.0015927200000000, -0.0004920100000000, 0.0000000000000000 ] - [ 0.0002911200000000, 0.0004761900000000, 0.0000000000000000 ] - [ -0.0024012500000000, 0.0028888300000000, 0.0000000000000000 ] - [ -0.0040945100000000, 0.0057341100000000, 0.0000000000000000 ] - [ -0.0007200200000000, 0.0011235800000000, 0.0000000000000000 ] - [ 0.0002533900000000, 0.0002646000000000, 0.0000000000000000 ] - [ 0.0001477200000000, 0.0006456900000000, 0.0000000000000000 ] - [ -0.0023609800000000, 0.0012869100000000, 0.0000000000000000 ] - [ 0.0005221400000000, -0.0005793700000000, 0.0000000000000000 ] - [ 0.0031208600000000, -0.0029950800000000, 0.0000000000000000 ] - [ 0.0017118400000000, 0.0016138800000000, 0.0000000000000000 ] - [ 0.0011215800000000, 0.0002555300000000, 0.0000000000000000 ] - [ 0.0054155900000000, 0.0032451800000000, 0.0000000000000000 ] - [ -0.0039956200000000, 0.0041655700000000, 0.0000000000000000 ] - [ 0.0013351400000000, 0.0000919100000000, 0.0000000000000000 ] - [ 0.0032815800000000, -0.0026867300000000, 0.0000000000000000 ] - [ 0.0003420500000000, 0.0005250200000000, 0.0000000000000000 ] - [ 0.0011911900000000, -0.0002976600000000, 0.0000000000000000 ] - [ -0.0012017400000000, -0.0000824800000000, 0.0000000000000000 ] - [ 0.0008840500000000, 0.0006713000000000, 0.0000000000000000 ] - [ 0.0038983000000000, 0.0028143800000000, 0.0000000000000000 ] - [ 0.0048655000000000, 0.0046548800000000, 0.0000000000000000 ] - [ 0.0011368200000000, 0.0004129100000000, 0.0000000000000000 ] - [ 0.0004893000000000, 0.0001452300000000, 0.0000000000000000 ] - [ 0.0025269300000000, 0.0005228700000000, 0.0000000000000000 ] - [ 0.0034597000000000, 0.0013623500000000, 0.0000000000000000 ] - [ 0.0010363300000000, -0.0005290000000000, 0.0000000000000000 ] - [ 0.0007462100000000, 0.0025598600000000, 0.0000000000000000 ] - [ 0.0012105500000000, 0.0006045000000000, 0.0000000000000000 ] - [ 0.0005863800000000, 0.0008381700000000, 0.0000000000000000 ] - [ -0.0011747900000000, 0.0017174600000000, 0.0000000000000000 ] - [ 0.0243660400000000, 0.0194059900000000, 0.0000000000000000 ] - [ 0.0029889400000000, 0.0002479100000000, 0.0000000000000000 ] - [ 0.0012280600000000, 0.0004090300000000, 0.0000000000000000 ] - [ -0.0015390800000000, -0.0026214800000000, 0.0000000000000000 ] - [ 0.0021286300000000, -0.0017242500000000, 0.0000000000000000 ] - [ 0.0021935700000000, 0.0001503300000000, 0.0000000000000000 ] - [ -0.0002444600000000, 0.0012712100000000, 0.0000000000000000 ]- atom: 45 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0090553100000000, -0.0122468400000000, 0.0000000000000000 ] - [ -0.0038451800000000, 0.0051528400000000, 0.0000000000000000 ] - [ -0.2033560500000000, -0.1483227000000000, 0.0000000000000000 ] - [ -0.0185618900000000, -0.0060067700000000, 0.0000000000000000 ] - [ -0.0042052800000000, 0.0040598100000000, 0.0000000000000000 ] - [ 0.0077635300000000, 0.0097236200000000, 0.0000000000000000 ] - [ 0.0133205200000000, -0.0226889100000000, 0.0000000000000000 ] - [ 0.0043699900000000, -0.0061718400000000, 0.0000000000000000 ] - [ -0.0193787200000000, 0.0033752600000000, 0.0000000000000000 ] - [ 0.0079690600000000, 0.0004149100000000, 0.0000000000000000 ] - [ -0.0008655200000000, 0.0055424100000000, 0.0000000000000000 ] - [ -0.0073800800000000, 0.0068414500000000, 0.0000000000000000 ] - [ 0.0102502400000000, -0.0033513500000000, 0.0000000000000000 ] - [ 0.0063347600000000, 0.0062335900000000, 0.0000000000000000 ] - [ -0.0029669000000000, -0.0007761000000000, 0.0000000000000000 ] - [ 0.0002952900000000, 0.0049056700000000, 0.0000000000000000 ] - [ 0.0009271900000000, 0.0023465100000000, 0.0000000000000000 ] - [ 0.0082926900000000, -0.0014550500000000, 0.0000000000000000 ] - [ 0.0023076200000000, 0.0011804500000000, 0.0000000000000000 ] - [ 0.0023426500000000, -0.0002336900000000, 0.0000000000000000 ] - [ 0.0077517700000000, -0.0030357300000000, 0.0000000000000000 ] - [ 0.0032145600000000, 0.0039798700000000, 0.0000000000000000 ] - [ 0.0004654400000000, 0.0010136700000000, 0.0000000000000000 ] - [ -0.0052919200000000, 0.0005551900000000, 0.0000000000000000 ] - [ 0.0042525000000000, -0.0015286000000000, 0.0000000000000000 ] - [ -0.0037212900000000, 0.0078906100000000, 0.0000000000000000 ] - [ 0.0037466000000000, 0.0022797400000000, 0.0000000000000000 ] - [ 0.0053678700000000, 0.0007718900000000, 0.0000000000000000 ] - [ -0.0007374600000000, 0.0043832400000000, 0.0000000000000000 ] - [ 0.0104082800000000, 0.0141436600000000, 0.0000000000000000 ] - [ 0.0038576900000000, -0.0062338400000000, 0.0000000000000000 ] - [ 0.0105175800000000, 0.0014438500000000, 0.0000000000000000 ] - [ 0.0018442800000000, -0.0028143000000000, 0.0000000000000000 ] - [ -0.0073231000000000, 0.0066974500000000, 0.0000000000000000 ] - [ 0.0157931100000000, -0.0145050300000000, 0.0000000000000000 ] - [ -0.0135504400000000, -0.0056814000000000, 0.0000000000000000 ] - [ -0.0053012600000000, 0.0051587300000000, 0.0000000000000000 ] - [ -0.0024439700000000, 0.0002584800000000, 0.0000000000000000 ] - [ -0.0050516600000000, 0.0071521000000000, 0.0000000000000000 ] - [ -0.0136913900000000, 0.0037257600000000, 0.0000000000000000 ] - [ -0.0031254800000000, 0.0009316300000000, 0.0000000000000000 ] - [ -0.0027518900000000, -0.0018393900000000, 0.0000000000000000 ] - [ 0.0036910500000000, -0.0009696700000000, 0.0000000000000000 ] - [ 0.0052100900000000, -0.0030045900000000, 0.0000000000000000 ] - [ 0.2636212200000000, 0.1840061800000000, 0.0000000000000000 ] - [ 0.0036616600000000, -0.0029289000000000, 0.0000000000000000 ] - [ -0.0017994400000000, -0.0016447000000000, 0.0000000000000000 ] - [ -0.0043262900000000, 0.0029657400000000, 0.0000000000000000 ] - [ 0.0004860300000000, -0.0002486900000000, 0.0000000000000000 ] - [ 0.0046668100000000, -0.0038972900000000, 0.0000000000000000 ] - [ -0.0033969200000000, 0.0024005600000000, 0.0000000000000000 ] - [ 0.0008350600000000, -0.0000042100000000, 0.0000000000000000 ] - [ -0.0013860700000000, 0.0012464200000000, 0.0000000000000000 ] - [ 0.0063949900000000, 0.0129982300000000, 0.0000000000000000 ] - [ -0.0004517000000000, -0.0023792400000000, 0.0000000000000000 ] - [ -0.0060657500000000, -0.0071922400000000, 0.0000000000000000 ] - [ 0.0084948200000000, -0.0029616200000000, 0.0000000000000000 ] - [ -0.0368460800000000, 0.0198856100000000, 0.0000000000000000 ] - [ 0.0009811600000000, 0.0000071200000000, 0.0000000000000000 ] - [ 0.0003634200000000, -0.0013191800000000, 0.0000000000000000 ] - [ 0.0009813000000000, -0.0003724100000000, 0.0000000000000000 ] - [ -0.0040094700000000, -0.0021667200000000, 0.0000000000000000 ] - [ 0.0063458100000000, -0.0119265500000000, 0.0000000000000000 ] - [ 0.0075569800000000, 0.0096583400000000, 0.0000000000000000 ] - [ -0.0041749600000000, 0.0011279300000000, 0.0000000000000000 ] - [ -0.0030666200000000, -0.0037403500000000, 0.0000000000000000 ] - [ -0.0005879400000000, -0.0016996600000000, 0.0000000000000000 ] - [ -0.0064918400000000, -0.0154836800000000, 0.0000000000000000 ] - [ 0.0015940900000000, 0.0017801800000000, 0.0000000000000000 ] - [ 0.0021948500000000, -0.0011431500000000, 0.0000000000000000 ] - [ -0.0000389000000000, -0.0013618800000000, 0.0000000000000000 ] - [ -0.0007389600000000, -0.0001952400000000, 0.0000000000000000 ] - [ -0.0051706000000000, 0.0031212200000000, 0.0000000000000000 ] - [ 0.0001763300000000, -0.0006432900000000, 0.0000000000000000 ] - [ -0.0012301200000000, 0.0010941600000000, 0.0000000000000000 ] - [ -0.0003482000000000, -0.0005592500000000, 0.0000000000000000 ] - [ 0.0028711800000000, -0.0024436300000000, 0.0000000000000000 ] - [ 0.0035029500000000, -0.0061141600000000, 0.0000000000000000 ] - [ 0.0013315300000000, -0.0007686800000000, 0.0000000000000000 ] - [ -0.0003338600000000, -0.0003229900000000, 0.0000000000000000 ] - [ -0.0000696900000000, -0.0007081100000000, 0.0000000000000000 ] - [ 0.0021084700000000, -0.0010593700000000, 0.0000000000000000 ] - [ -0.0005201700000000, -0.0003854800000000, 0.0000000000000000 ] - [ -0.0028726500000000, 0.0032411500000000, 0.0000000000000000 ] - [ -0.0016738900000000, -0.0013361200000000, 0.0000000000000000 ] - [ -0.0011223800000000, -0.0003853400000000, 0.0000000000000000 ] - [ -0.0058732700000000, -0.0027808900000000, 0.0000000000000000 ] - [ 0.0037636100000000, -0.0044208000000000, 0.0000000000000000 ] - [ -0.0013346200000000, 0.0008728800000000, 0.0000000000000000 ] - [ -0.0032426200000000, 0.0024068600000000, 0.0000000000000000 ] - [ -0.0002850200000000, -0.0006113600000000, 0.0000000000000000 ] - [ -0.0012717900000000, 0.0003551400000000, 0.0000000000000000 ] - [ 0.0002384300000000, 0.0000817400000000, 0.0000000000000000 ] - [ -0.0006075100000000, -0.0006345600000000, 0.0000000000000000 ] - [ -0.0039358900000000, -0.0030923500000000, 0.0000000000000000 ] - [ -0.0051475100000000, -0.0046952100000000, 0.0000000000000000 ] - [ -0.0010082600000000, -0.0004139700000000, 0.0000000000000000 ] - [ -0.0005225800000000, 0.0001283000000000, 0.0000000000000000 ] - [ -0.0022733500000000, -0.0007588300000000, 0.0000000000000000 ] - [ -0.0030931800000000, -0.0019619500000000, 0.0000000000000000 ] - [ -0.0010945900000000, 0.0006083600000000, 0.0000000000000000 ] - [ -0.0013584600000000, -0.0022068000000000, 0.0000000000000000 ] - [ -0.0012115500000000, -0.0004767000000000, 0.0000000000000000 ] - [ -0.0009443900000000, -0.0002351400000000, 0.0000000000000000 ] - [ 0.0009001100000000, -0.0016856100000000, 0.0000000000000000 ] - [ -0.0240423900000000, -0.0199180900000000, 0.0000000000000000 ] - [ -0.0029107700000000, -0.0001883500000000, 0.0000000000000000 ] - [ -0.0013565200000000, -0.0004098800000000, 0.0000000000000000 ] - [ 0.0021435000000000, 0.0022581800000000, 0.0000000000000000 ] - [ -0.0018467700000000, 0.0016811700000000, 0.0000000000000000 ] - [ -0.0021395000000000, -0.0000678700000000, 0.0000000000000000 ] - [ 0.0012085600000000, -0.0012715700000000, 0.0000000000000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0027731700000000, 0.0179321500000000, 0.0000000000000000 ] - [ 0.0030570600000000, -0.0049131900000000, 0.0000000000000000 ] - [ 0.1486085200000000, 0.1592974200000000, 0.0000000000000000 ] - [ 0.0120196700000000, -0.0040023000000000, 0.0000000000000000 ] - [ 0.0037325600000000, -0.0056767600000000, 0.0000000000000000 ] - [ -0.0081930900000000, -0.0073526700000000, 0.0000000000000000 ] - [ -0.0085084700000000, 0.0188772000000000, 0.0000000000000000 ] - [ -0.0027774700000000, 0.0046425200000000, 0.0000000000000000 ] - [ 0.0195022000000000, -0.0089799500000000, 0.0000000000000000 ] - [ -0.0040475300000000, 0.0002533600000000, 0.0000000000000000 ] - [ -0.0086502100000000, 0.0138765400000000, 0.0000000000000000 ] - [ 0.0020033700000000, -0.0074672300000000, 0.0000000000000000 ] - [ -0.0074516300000000, 0.0040945100000000, 0.0000000000000000 ] - [ -0.0053430200000000, -0.0052897300000000, 0.0000000000000000 ] - [ 0.0047948000000000, -0.0029677300000000, 0.0000000000000000 ] - [ -0.0014494100000000, -0.0054460100000000, 0.0000000000000000 ] - [ -0.0006543200000000, -0.0027125700000000, 0.0000000000000000 ] - [ -0.0054412700000000, 0.0037197300000000, 0.0000000000000000 ] - [ -0.0017701500000000, -0.0017342700000000, 0.0000000000000000 ] - [ -0.0019336100000000, -0.0001906800000000, 0.0000000000000000 ] - [ -0.0051518800000000, 0.0028430600000000, 0.0000000000000000 ] - [ -0.0029170200000000, -0.0042091600000000, 0.0000000000000000 ] - [ 0.0003149500000000, -0.0022970900000000, 0.0000000000000000 ] - [ 0.0039004500000000, -0.0023507600000000, 0.0000000000000000 ] - [ -0.0023862000000000, -0.0007739400000000, 0.0000000000000000 ] - [ 0.0037417100000000, -0.0094868300000000, 0.0000000000000000 ] - [ -0.0026143200000000, -0.0024139800000000, 0.0000000000000000 ] - [ -0.0042888200000000, -0.0002593300000000, 0.0000000000000000 ] - [ 0.0006232000000000, -0.0053689500000000, 0.0000000000000000 ] - [ -0.0122915800000000, -0.0139166900000000, 0.0000000000000000 ] - [ -0.0020535100000000, 0.0043860700000000, 0.0000000000000000 ] - [ -0.0080111500000000, 0.0019881300000000, 0.0000000000000000 ] - [ -0.0021694300000000, 0.0024448600000000, 0.0000000000000000 ] - [ 0.0047633700000000, -0.0051640600000000, 0.0000000000000000 ] - [ -0.0080677100000000, 0.0249715500000000, 0.0000000000000000 ] - [ 0.0150911500000000, -0.0014842400000000, 0.0000000000000000 ] - [ 0.0043805700000000, -0.0036690900000000, 0.0000000000000000 ] - [ 0.0014235900000000, -0.0006140900000000, 0.0000000000000000 ] - [ 0.0035748600000000, -0.0054916000000000, 0.0000000000000000 ] - [ 0.0036888900000000, -0.0064319600000000, 0.0000000000000000 ] - [ 0.0019216800000000, -0.0012385900000000, 0.0000000000000000 ] - [ 0.0015157000000000, 0.0013001000000000, 0.0000000000000000 ] - [ -0.0036268600000000, 0.0007324700000000, 0.0000000000000000 ] - [ -0.0059253700000000, 0.0044337300000000, 0.0000000000000000 ] - [ -0.1901080100000000, -0.1989664700000000, 0.0000000000000000 ] - [ -0.0010422100000000, 0.0027684300000000, 0.0000000000000000 ] - [ 0.0016650100000000, 0.0024051800000000, 0.0000000000000000 ] - [ 0.0029309500000000, -0.0025164600000000, 0.0000000000000000 ] - [ -0.0003470900000000, 0.0014641700000000, 0.0000000000000000 ] - [ -0.0037246900000000, 0.0037527000000000, 0.0000000000000000 ] - [ 0.0023869800000000, -0.0025679600000000, 0.0000000000000000 ] - [ -0.0008725300000000, 0.0009519400000000, 0.0000000000000000 ] - [ -0.0001760100000000, -0.0008918000000000, 0.0000000000000000 ] - [ -0.0091051900000000, -0.0062315900000000, 0.0000000000000000 ] - [ 0.0022089600000000, 0.0029732900000000, 0.0000000000000000 ] - [ 0.0048465400000000, 0.0058933700000000, 0.0000000000000000 ] - [ -0.0035298500000000, 0.0084343400000000, 0.0000000000000000 ] - [ 0.0197673800000000, -0.0347361200000000, 0.0000000000000000 ] - [ 0.0000015800000000, 0.0006707400000000, 0.0000000000000000 ] - [ 0.0008732500000000, 0.0016422000000000, 0.0000000000000000 ] - [ -0.0007383400000000, 0.0011227900000000, 0.0000000000000000 ] - [ 0.0020739300000000, 0.0013618600000000, 0.0000000000000000 ] - [ 0.0019062300000000, 0.0099050800000000, 0.0000000000000000 ] - [ -0.0083038300000000, -0.0085495500000000, 0.0000000000000000 ] - [ 0.0037225900000000, -0.0020150400000000, 0.0000000000000000 ] - [ 0.0030204900000000, 0.0027677300000000, 0.0000000000000000 ] - [ 0.0006631100000000, 0.0014414500000000, 0.0000000000000000 ] - [ 0.0046764400000000, 0.0103938600000000, 0.0000000000000000 ] - [ -0.0013727400000000, -0.0016020900000000, 0.0000000000000000 ] - [ -0.0037215700000000, 0.0039938100000000, 0.0000000000000000 ] - [ 0.0003054200000000, 0.0013824500000000, 0.0000000000000000 ] - [ 0.0013323400000000, 0.0000456200000000, 0.0000000000000000 ] - [ 0.0038989800000000, -0.0034153800000000, 0.0000000000000000 ] - [ -0.0019541800000000, 0.0017251900000000, 0.0000000000000000 ] - [ 0.0009613700000000, 0.0000169500000000, 0.0000000000000000 ] - [ 0.0001257800000000, 0.0005789400000000, 0.0000000000000000 ] - [ -0.0028081200000000, 0.0035727800000000, 0.0000000000000000 ] - [ -0.0035532800000000, 0.0052791500000000, 0.0000000000000000 ] - [ -0.0011843700000000, 0.0016985100000000, 0.0000000000000000 ] - [ 0.0001088400000000, 0.0003998000000000, 0.0000000000000000 ] - [ 0.0002198600000000, 0.0009128800000000, 0.0000000000000000 ] - [ -0.0007011900000000, 0.0032237900000000, 0.0000000000000000 ] - [ 0.0002938000000000, -0.0004810400000000, 0.0000000000000000 ] - [ 0.0016571400000000, -0.0016794100000000, 0.0000000000000000 ] - [ 0.0014880000000000, 0.0015047300000000, 0.0000000000000000 ] - [ 0.0009727800000000, 0.0001671400000000, 0.0000000000000000 ] - [ 0.0015347500000000, -0.0011527600000000, 0.0000000000000000 ] - [ -0.0041850500000000, 0.0047278400000000, 0.0000000000000000 ] - [ 0.0009168400000000, -0.0000046700000000, 0.0000000000000000 ] - [ 0.0025578100000000, -0.0021658100000000, 0.0000000000000000 ] - [ 0.0003796000000000, 0.0008914500000000, 0.0000000000000000 ] - [ 0.0006388800000000, -0.0003289600000000, 0.0000000000000000 ] - [ -0.0012717000000000, 0.0001543100000000, 0.0000000000000000 ] - [ 0.0008622100000000, 0.0007607000000000, 0.0000000000000000 ] - [ 0.0029297200000000, 0.0017551100000000, 0.0000000000000000 ] - [ 0.0054300000000000, 0.0049727300000000, 0.0000000000000000 ] - [ 0.0008774400000000, 0.0004179900000000, 0.0000000000000000 ] - [ -0.0000243500000000, 0.0006777700000000, 0.0000000000000000 ] - [ 0.0009204300000000, -0.0004969200000000, 0.0000000000000000 ] - [ 0.0021660200000000, 0.0004512200000000, 0.0000000000000000 ] - [ 0.0006055400000000, -0.0005540000000000, 0.0000000000000000 ] - [ 0.0014740000000000, 0.0033397100000000, 0.0000000000000000 ] - [ 0.0010778600000000, 0.0007292700000000, 0.0000000000000000 ] - [ 0.0002892500000000, 0.0008261600000000, 0.0000000000000000 ] - [ -0.0013836400000000, 0.0019970600000000, 0.0000000000000000 ] - [ 0.0280067700000000, 0.0229019400000000, 0.0000000000000000 ] - [ 0.0035661000000000, -0.0003357200000000, 0.0000000000000000 ] - [ 0.0011776800000000, 0.0004313100000000, 0.0000000000000000 ] - [ -0.0014800400000000, -0.0021762000000000, 0.0000000000000000 ] - [ 0.0013875100000000, -0.0010557900000000, 0.0000000000000000 ] - [ 0.0024900200000000, -0.0009204300000000, 0.0000000000000000 ] - [ 0.0000306800000000, 0.0014687600000000, 0.0000000000000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0027219400000000, -0.0178034300000000, 0.0000000000000000 ] - [ -0.0030767400000000, 0.0067023900000000, 0.0000000000000000 ] - [ -0.1421592800000000, -0.1559088700000000, 0.0000000000000000 ] - [ -0.0122575400000000, 0.0041456500000000, 0.0000000000000000 ] - [ -0.0034855800000000, 0.0057502700000000, 0.0000000000000000 ] - [ 0.0084649300000000, 0.0073810800000000, 0.0000000000000000 ] - [ 0.0082731600000000, -0.0189784400000000, 0.0000000000000000 ] - [ 0.0010424700000000, -0.0046668500000000, 0.0000000000000000 ] - [ -0.0196928800000000, 0.0073739300000000, 0.0000000000000000 ] - [ 0.0058070000000000, -0.0002574200000000, 0.0000000000000000 ] - [ 0.0076409700000000, -0.0150742400000000, 0.0000000000000000 ] - [ -0.0020211800000000, 0.0077349800000000, 0.0000000000000000 ] - [ 0.0075192200000000, -0.0038655000000000, 0.0000000000000000 ] - [ 0.0054033900000000, 0.0050632200000000, 0.0000000000000000 ] - [ -0.0048571600000000, 0.0027429900000000, 0.0000000000000000 ] - [ 0.0011923800000000, 0.0055167600000000, 0.0000000000000000 ] - [ 0.0006325200000000, 0.0030054100000000, 0.0000000000000000 ] - [ 0.0054670300000000, -0.0020115100000000, 0.0000000000000000 ] - [ 0.0017795200000000, 0.0015200200000000, 0.0000000000000000 ] - [ 0.0017171800000000, 0.0001949400000000, 0.0000000000000000 ] - [ 0.0054441400000000, -0.0028476600000000, 0.0000000000000000 ] - [ 0.0031634300000000, 0.0042369500000000, 0.0000000000000000 ] - [ -0.0005862200000000, 0.0022992400000000, 0.0000000000000000 ] - [ -0.0056798000000000, 0.0023834800000000, 0.0000000000000000 ] - [ 0.0023959800000000, -0.0009538400000000, 0.0000000000000000 ] - [ -0.0020036600000000, 0.0095767900000000, 0.0000000000000000 ] - [ 0.0028958400000000, 0.0024130300000000, 0.0000000000000000 ] - [ 0.0043108600000000, 0.0004842900000000, 0.0000000000000000 ] - [ -0.0006045100000000, 0.0056805000000000, 0.0000000000000000 ] - [ 0.0124003100000000, 0.0137203500000000, 0.0000000000000000 ] - [ 0.0020318600000000, -0.0046788200000000, 0.0000000000000000 ] - [ 0.0077878800000000, -0.0020016900000000, 0.0000000000000000 ] - [ 0.0018269400000000, -0.0030763400000000, 0.0000000000000000 ] - [ -0.0052354600000000, 0.0047193400000000, 0.0000000000000000 ] - [ 0.0086132200000000, -0.0249500000000000, 0.0000000000000000 ] - [ -0.0152697000000000, 0.0015215100000000, 0.0000000000000000 ] - [ -0.0039479600000000, 0.0041566400000000, 0.0000000000000000 ] - [ -0.0020373400000000, 0.0002544900000000, 0.0000000000000000 ] - [ -0.0029848200000000, 0.0058877300000000, 0.0000000000000000 ] - [ -0.0037661000000000, 0.0064283400000000, 0.0000000000000000 ] - [ -0.0018526200000000, 0.0011936400000000, 0.0000000000000000 ] - [ -0.0017675200000000, -0.0010609800000000, 0.0000000000000000 ] - [ 0.0036545700000000, -0.0017024600000000, 0.0000000000000000 ] - [ 0.0062313600000000, -0.0042437000000000, 0.0000000000000000 ] - [ 0.1851948700000000, 0.1977579900000000, 0.0000000000000000 ] - [ 0.0010450500000000, -0.0029279300000000, 0.0000000000000000 ] - [ -0.0021402900000000, -0.0019646800000000, 0.0000000000000000 ] - [ -0.0031922700000000, 0.0022867500000000, 0.0000000000000000 ] - [ 0.0003500400000000, -0.0005087900000000, 0.0000000000000000 ] - [ 0.0037892700000000, -0.0040571000000000, 0.0000000000000000 ] - [ -0.0023373000000000, 0.0025048600000000, 0.0000000000000000 ] - [ 0.0007932400000000, -0.0009067600000000, 0.0000000000000000 ] - [ -0.0007886700000000, 0.0008964200000000, 0.0000000000000000 ] - [ 0.0094136900000000, 0.0062409700000000, 0.0000000000000000 ] - [ -0.0022643400000000, -0.0032721200000000, 0.0000000000000000 ] - [ -0.0051552000000000, -0.0059683200000000, 0.0000000000000000 ] - [ 0.0036863200000000, -0.0083801500000000, 0.0000000000000000 ] - [ -0.0198175500000000, 0.0346724600000000, 0.0000000000000000 ] - [ 0.0002383100000000, -0.0009260300000000, 0.0000000000000000 ] - [ -0.0005248100000000, -0.0022716700000000, 0.0000000000000000 ] - [ 0.0006819700000000, -0.0010572900000000, 0.0000000000000000 ] - [ -0.0026895700000000, -0.0010044800000000, 0.0000000000000000 ] - [ -0.0018824700000000, -0.0098064600000000, 0.0000000000000000 ] - [ 0.0079827800000000, 0.0092008900000000, 0.0000000000000000 ] - [ -0.0040297200000000, 0.0020693600000000, 0.0000000000000000 ] - [ -0.0025795500000000, -0.0032508200000000, 0.0000000000000000 ] - [ -0.0005837100000000, -0.0013948100000000, 0.0000000000000000 ] - [ -0.0048629300000000, -0.0104352600000000, 0.0000000000000000 ] - [ 0.0019881500000000, 0.0012466400000000, 0.0000000000000000 ] - [ 0.0040322400000000, -0.0040791100000000, 0.0000000000000000 ] - [ -0.0002491000000000, -0.0013123000000000, 0.0000000000000000 ] - [ -0.0003713300000000, -0.0000460900000000, 0.0000000000000000 ] - [ -0.0042848400000000, 0.0028332300000000, 0.0000000000000000 ] - [ 0.0015114800000000, -0.0022085400000000, 0.0000000000000000 ] - [ -0.0006035800000000, 0.0005853500000000, 0.0000000000000000 ] - [ -0.0001835500000000, -0.0006683200000000, 0.0000000000000000 ] - [ 0.0032912300000000, -0.0031429700000000, 0.0000000000000000 ] - [ 0.0029653900000000, -0.0056703300000000, 0.0000000000000000 ] - [ 0.0018090900000000, -0.0013575300000000, 0.0000000000000000 ] - [ -0.0001900100000000, -0.0004624200000000, 0.0000000000000000 ] - [ -0.0001434000000000, -0.0009810600000000, 0.0000000000000000 ] - [ 0.0004365600000000, -0.0030398700000000, 0.0000000000000000 ] - [ -0.0002938300000000, -0.0004863300000000, 0.0000000000000000 ] - [ -0.0014160100000000, 0.0019313300000000, 0.0000000000000000 ] - [ -0.0014588200000000, -0.0012371200000000, 0.0000000000000000 ] - [ -0.0009796200000000, -0.0002993800000000, 0.0000000000000000 ] - [ -0.0019882900000000, 0.0016383700000000, 0.0000000000000000 ] - [ 0.0039784300000000, -0.0050138700000000, 0.0000000000000000 ] - [ -0.0009208500000000, 0.0009737000000000, 0.0000000000000000 ] - [ -0.0025333300000000, 0.0019003200000000, 0.0000000000000000 ] - [ -0.0003250900000000, -0.0009837800000000, 0.0000000000000000 ] - [ -0.0007217300000000, 0.0003912300000000, 0.0000000000000000 ] - [ 0.0003135900000000, -0.0001560200000000, 0.0000000000000000 ] - [ -0.0005896700000000, -0.0007269900000000, 0.0000000000000000 ] - [ -0.0029798700000000, -0.0020375800000000, 0.0000000000000000 ] - [ -0.0057459300000000, -0.0050424800000000, 0.0000000000000000 ] - [ -0.0007502700000000, -0.0004200900000000, 0.0000000000000000 ] - [ -0.0000105100000000, -0.0004071200000000, 0.0000000000000000 ] - [ -0.0006734000000000, 0.0002593600000000, 0.0000000000000000 ] - [ -0.0018111600000000, -0.0010544400000000, 0.0000000000000000 ] - [ -0.0006657100000000, 0.0006413800000000, 0.0000000000000000 ] - [ -0.0021007900000000, -0.0030077000000000, 0.0000000000000000 ] - [ -0.0010855700000000, -0.0006019800000000, 0.0000000000000000 ] - [ -0.0006530400000000, -0.0002294300000000, 0.0000000000000000 ] - [ 0.0011154600000000, -0.0019742700000000, 0.0000000000000000 ] - [ -0.0278181800000000, -0.0236125300000000, 0.0000000000000000 ] - [ -0.0035111200000000, 0.0004024400000000, 0.0000000000000000 ] - [ -0.0013170900000000, -0.0004335500000000, 0.0000000000000000 ] - [ 0.0021005700000000, 0.0018307700000000, 0.0000000000000000 ] - [ -0.0011124500000000, 0.0010184100000000, 0.0000000000000000 ] - [ -0.0024476300000000, 0.0010148400000000, 0.0000000000000000 ] - [ 0.0009343600000000, -0.0014774400000000, 0.0000000000000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000196300000000, 0.0001129200000000, 0.0000663200000000 ] - [ -0.0000019500000000, 0.0008675600000000, -0.0000009400000000 ] - [ -0.0007424700000000, -0.0007480000000000, 0.0133572000000000 ] - [ -0.0001247800000000, -0.0000263200000000, -0.0006589600000000 ] - [ 0.0001292500000000, 0.0000115500000000, -0.0000032000000000 ] - [ 0.0001040200000000, -0.0000071000000000, 0.0000588200000000 ] - [ -0.0001147700000000, -0.0000334200000000, 0.0002732800000000 ] - [ -0.0008584000000000, -0.0000066200000000, 0.0000023100000000 ] - [ -0.0000168400000000, -0.0008599000000000, 0.0000585000000000 ] - [ 0.0008724900000000, 0.0000007000000000, -0.0000004000000000 ] - [ 0.0002714900000000, 0.0002027200000000, -0.0038619500000000 ] - [ -0.0000137400000000, 0.0001144400000000, -0.0000060600000000 ] - [ 0.0000195200000000, 0.0001320500000000, -0.0000057000000000 ] - [ 0.0000166000000000, -0.0001291000000000, 0.0000002400000000 ] - [ -0.0000089600000000, -0.0001383200000000, 0.0000040500000000 ] - [ -0.0001346500000000, 0.0000154000000000, 0.0000012500000000 ] - [ -0.0000106400000000, 0.0001342400000000, 0.0000005000000000 ] - [ 0.0000082300000000, 0.0008658800000000, 0.0000002500000000 ] - [ 0.0000010800000000, -0.0001093100000000, -0.0000006600000000 ] - [ -0.0001058400000000, 0.0000001700000000, -0.0000004900000000 ] - [ 0.0001396200000000, 0.0000093000000000, -0.0000045600000000 ] - [ 0.0001097200000000, 0.0000006700000000, -0.0000138500000000 ] - [ -0.0001301400000000, -0.0000134300000000, -0.0000014100000000 ] - [ -0.0008707300000000, 0.0000006100000000, -0.0000000600000000 ] - [ 0.0000051300000000, -0.0008675200000000, 0.0000003700000000 ] - [ 0.0008693800000000, 0.0000027600000000, -0.0000003000000000 ] - [ 0.0001362600000000, -0.0000104800000000, -0.0000012900000000 ] - [ 0.0000021100000000, 0.0001094400000000, -0.0000011100000000 ] - [ 0.0000100600000000, 0.0001313800000000, -0.0000013300000000 ] - [ 0.0000114700000000, -0.0001313800000000, -0.0002336300000000 ] - [ -0.0000086200000000, -0.0001376100000000, -0.0000155200000000 ] - [ -0.0001216400000000, 0.0000185500000000, 0.0000118000000000 ] - [ -0.0001786700000000, -0.0003063800000000, -0.0000004300000000 ] - [ -0.0002374800000000, -0.0002239200000000, 0.0000526400000000 ] - [ 0.0001825000000000, 0.0002994800000000, -0.0020503600000000 ] - [ -0.0001845200000000, -0.0001372700000000, 0.0182392100000000 ] - [ 0.0002250700000000, 0.0002338600000000, 0.0000031700000000 ] - [ -0.0003047700000000, -0.0001798100000000, 0.0000005700000000 ] - [ 0.0002913600000000, 0.0001911400000000, -0.0000616400000000 ] - [ -0.0000263500000000, -0.0000241900000000, -0.0004941300000000 ] - [ 0.0000369500000000, -0.0000266600000000, 0.0000432200000000 ] - [ -0.0001262800000000, 0.0001223600000000, -0.0000000800000000 ] - [ 0.0000043000000000, -0.0004823800000000, -0.0000413700000000 ] - [ 0.0001284800000000, 0.0001208200000000, -0.0000002000000000 ] - [ 0.0007011700000000, 0.0005419800000000, -0.0338562400000000 ] - [ 0.0000047700000000, -0.0000593100000000, -0.0000452100000000 ] - [ -0.0002313900000000, 0.0002280900000000, -0.0000005200000000 ] - [ -0.0001277000000000, -0.0001209900000000, 0.0000003200000000 ] - [ 0.0000005200000000, 0.0004793800000000, 0.0000000900000000 ] - [ 0.0000236400000000, -0.0001411500000000, 0.0000003900000000 ] - [ 0.0000260200000000, -0.0000395900000000, -0.0000433300000000 ] - [ -0.0000410200000000, 0.0000289900000000, -0.0000013100000000 ] - [ -0.0004810500000000, 0.0000016000000000, -0.0000012200000000 ] - [ 0.0001232100000000, 0.0000518200000000, 0.0027832100000000 ] - [ -0.0000170800000000, -0.0001386400000000, -0.0000062400000000 ] - [ -0.0001418600000000, -0.0000199100000000, 0.0000345400000000 ] - [ 0.0000723400000000, -0.0000079800000000, -0.0006786700000000 ] - [ -0.0000692700000000, 0.0001949900000000, -0.0019954300000000 ] - [ 0.0001243300000000, -0.0001231300000000, -0.0000003600000000 ] - [ 0.0001818100000000, -0.0003043100000000, -0.0000001500000000 ] - [ -0.0000263700000000, 0.0000402000000000, 0.0000006800000000 ] - [ -0.0003065400000000, 0.0001779300000000, 0.0000023300000000 ] - [ 0.0000924000000000, 0.0001535400000000, 0.0051982200000000 ] - [ -0.0001753700000000, 0.0003121000000000, -0.0001674600000000 ] - [ -0.0001411300000000, 0.0000191100000000, -0.0000454700000000 ] - [ 0.0002274600000000, -0.0002331600000000, 0.0000020500000000 ] - [ 0.0000405700000000, 0.0000260500000000, 0.0000066000000000 ] - [ -0.0000763500000000, -0.0000276500000000, 0.0008654800000000 ] - [ 0.0003012400000000, -0.0001795900000000, -0.0000018800000000 ] - [ 0.0001385200000000, -0.0000141200000000, -0.0000450700000000 ] - [ 0.0000273100000000, 0.0000395400000000, -0.0000007700000000 ] - [ 0.0004784200000000, -0.0000002700000000, 0.0000001000000000 ] - [ -0.0001844100000000, -0.0003010100000000, -0.0000076800000000 ] - [ -0.0002336100000000, -0.0002277100000000, 0.0000010400000000 ] - [ 0.0001787500000000, 0.0003036000000000, -0.0000000500000000 ] - [ -0.0000278400000000, -0.0000414900000000, 0.0000008000000000 ] - [ 0.0002310300000000, 0.0002282400000000, 0.0000016900000000 ] - [ -0.0003041600000000, -0.0001799600000000, 0.0000541700000000 ] - [ 0.0003048400000000, 0.0001801300000000, 0.0000003400000000 ] - [ -0.0000409800000000, -0.0000271900000000, 0.0000002800000000 ] - [ 0.0000394200000000, -0.0000281700000000, 0.0000006000000000 ] - [ -0.0001256000000000, 0.0001215700000000, 0.0000164900000000 ] - [ -0.0000002000000000, -0.0004796700000000, -0.0000003800000000 ] - [ 0.0001200900000000, 0.0001289300000000, -0.0000007800000000 ] - [ 0.0000172600000000, 0.0001378400000000, 0.0000003500000000 ] - [ -0.0000006900000000, -0.0000637000000000, 0.0000009100000000 ] - [ -0.0002438000000000, 0.0002215900000000, 0.0000242700000000 ] - [ -0.0001217000000000, -0.0001243500000000, -0.0000002900000000 ] - [ -0.0000009400000000, 0.0004791000000000, 0.0000004200000000 ] - [ 0.0000163000000000, -0.0001374700000000, 0.0000003800000000 ] - [ 0.0000272500000000, -0.0000413400000000, 0.0000003900000000 ] - [ -0.0000420600000000, 0.0000274000000000, 0.0000088900000000 ] - [ -0.0004788000000000, 0.0000004700000000, -0.0000002600000000 ] - [ 0.0001375200000000, 0.0000185900000000, -0.0000002500000000 ] - [ -0.0000203900000000, -0.0001407300000000, 0.0000017600000000 ] - [ -0.0001364100000000, -0.0000180900000000, 0.0000989700000000 ] - [ 0.0000620600000000, 0.0000000900000000, -0.0000002600000000 ] - [ -0.0000187700000000, 0.0001391400000000, 0.0000001500000000 ] - [ 0.0001206000000000, -0.0001258600000000, -0.0000004700000000 ] - [ 0.0001773800000000, -0.0003049300000000, 0.0000009500000000 ] - [ -0.0000288800000000, 0.0000402600000000, 0.0000020600000000 ] - [ -0.0003034300000000, 0.0001823200000000, -0.0000004200000000 ] - [ -0.0000004900000000, 0.0000638900000000, 0.0000019900000000 ] - [ -0.0001821700000000, 0.0003009000000000, 0.0000003400000000 ] - [ -0.0001397100000000, 0.0000193400000000, 0.0000032000000000 ] - [ 0.0002751900000000, -0.0002052000000000, 0.0028596000000000 ] - [ 0.0000405500000000, 0.0000260800000000, 0.0002138000000000 ] - [ -0.0000627400000000, 0.0000000900000000, 0.0000023900000000 ] - [ 0.0003048200000000, -0.0001791800000000, 0.0000036400000000 ] - [ 0.0001368000000000, -0.0000177200000000, 0.0000037100000000 ] - [ 0.0000278200000000, 0.0000387000000000, -0.0000129300000000 ] - [ 0.0004790100000000, 0.0000011300000000, 0.0000014500000000 ]- atom: 46 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0070313500000000, -0.0073393700000000, 0.0000000000000000 ] - [ 0.0029518500000000, 0.0008871100000000, 0.0000000000000000 ] - [ 0.0134273900000000, -0.0001249600000000, 0.0000000000000000 ] - [ -0.0001657700000000, -0.0191232300000000, 0.0000000000000000 ] - [ 0.0015657100000000, 0.0027508200000000, 0.0000000000000000 ] - [ 0.0006716000000000, 0.0188654200000000, 0.0000000000000000 ] - [ 0.0024640500000000, 0.0020408400000000, 0.0000000000000000 ] - [ -0.0059991100000000, 0.0001536700000000, 0.0000000000000000 ] - [ 0.0026045200000000, -0.0008585100000000, 0.0000000000000000 ] - [ -0.0042742800000000, -0.0001721600000000, 0.0000000000000000 ] - [ 0.0027120500000000, -0.0020483400000000, 0.0000000000000000 ] - [ 0.0459743200000000, -0.0002054600000000, 0.0000000000000000 ] - [ -0.0070487500000000, 0.0076505600000000, 0.0000000000000000 ] - [ -0.0059003000000000, -0.0066519400000000, 0.0000000000000000 ] - [ -0.0059148600000000, 0.0063163900000000, 0.0000000000000000 ] - [ 0.0013859400000000, -0.0026740300000000, 0.0000000000000000 ] - [ -0.0004869800000000, -0.0012140600000000, 0.0000000000000000 ] - [ -0.0044350600000000, 0.0008661600000000, 0.0000000000000000 ] - [ -0.0016028000000000, -0.0001105800000000, 0.0000000000000000 ] - [ -0.0009795100000000, 0.0000127800000000, 0.0000000000000000 ] - [ -0.0031460300000000, 0.0019651100000000, 0.0000000000000000 ] - [ -0.0007610400000000, -0.0000006800000000, 0.0000000000000000 ] - [ -0.0031251900000000, 0.0016696900000000, 0.0000000000000000 ] - [ 0.0004655900000000, -0.0000211600000000, 0.0000000000000000 ] - [ -0.0042340500000000, -0.0008755900000000, 0.0000000000000000 ] - [ 0.0021947700000000, 0.0000468100000000, 0.0000000000000000 ] - [ -0.0028511100000000, -0.0017004700000000, 0.0000000000000000 ] - [ -0.0017001600000000, 0.0001163400000000, 0.0000000000000000 ] - [ -0.0004884000000000, 0.0014981900000000, 0.0000000000000000 ] - [ -0.0003293200000000, -0.0014606100000000, 0.0000000000000000 ] - [ -0.0003490100000000, 0.0012149000000000, 0.0000000000000000 ] - [ -0.0034014000000000, -0.0019271500000000, 0.0000000000000000 ] - [ -0.0018626100000000, 0.0011752900000000, 0.0000000000000000 ] - [ 0.0000900800000000, -0.0010379700000000, 0.0000000000000000 ] - [ -0.0014019300000000, 0.0015076200000000, 0.0000000000000000 ] - [ -0.0007999600000000, 0.0014631600000000, 0.0000000000000000 ] - [ 0.0035445700000000, -0.0036429700000000, 0.0000000000000000 ] - [ 0.0017891900000000, -0.0005550400000000, 0.0000000000000000 ] - [ 0.0024755700000000, -0.0005071500000000, 0.0000000000000000 ] - [ 0.0001114100000000, 0.0018870300000000, 0.0000000000000000 ] - [ 0.0001928900000000, -0.0019529700000000, 0.0000000000000000 ] - [ 0.0022828000000000, 0.0018972100000000, 0.0000000000000000 ] - [ -0.0004714800000000, -0.0004843300000000, 0.0000000000000000 ] - [ -0.0006920600000000, 0.0006138500000000, 0.0000000000000000 ] - [ -0.0036482800000000, -0.0009018100000000, 0.0000000000000000 ] - [ -0.0588596100000000, 0.0006376400000000, 0.0000000000000000 ] - [ 0.0004079000000000, 0.0012123800000000, 0.0000000000000000 ] - [ 0.0023017400000000, -0.0018559600000000, 0.0000000000000000 ] - [ -0.0005259200000000, 0.0004786900000000, 0.0000000000000000 ] - [ -0.0063803000000000, -0.0020196500000000, 0.0000000000000000 ] - [ -0.0007491700000000, -0.0015557500000000, 0.0000000000000000 ] - [ 0.0003784100000000, -0.0016324600000000, 0.0000000000000000 ] - [ 0.0003860600000000, -0.0000299000000000, 0.0000000000000000 ] - [ 0.0104806100000000, 0.0154633400000000, 0.0000000000000000 ] - [ -0.0065114900000000, 0.0017700500000000, 0.0000000000000000 ] - [ 0.0083439100000000, 0.0029303300000000, 0.0000000000000000 ] - [ 0.0006754900000000, 0.0110660800000000, 0.0000000000000000 ] - [ -0.0036977700000000, 0.0011863800000000, 0.0000000000000000 ] - [ -0.0007245100000000, -0.0005984900000000, 0.0000000000000000 ] - [ -0.0014996700000000, -0.0017965600000000, 0.0000000000000000 ] - [ -0.0004980100000000, -0.0011225200000000, 0.0000000000000000 ] - [ 0.0018861900000000, 0.0008780900000000, 0.0000000000000000 ] - [ -0.0079118100000000, 0.0001112200000000, 0.0000000000000000 ] - [ -0.0017722600000000, -0.0009138100000000, 0.0000000000000000 ] - [ 0.0103519300000000, -0.0156526900000000, 0.0000000000000000 ] - [ 0.0030709500000000, 0.0028591000000000, 0.0000000000000000 ] - [ 0.0004475300000000, 0.0017058400000000, 0.0000000000000000 ] - [ 0.0004565200000000, -0.0111051600000000, 0.0000000000000000 ] - [ 0.0023927300000000, 0.0002082400000000, 0.0000000000000000 ] - [ 0.0084738200000000, -0.0029144600000000, 0.0000000000000000 ] - [ -0.0004755500000000, 0.0012071800000000, 0.0000000000000000 ] - [ 0.0013525800000000, 0.0000339100000000, 0.0000000000000000 ] - [ 0.0013491600000000, -0.0011730000000000, 0.0000000000000000 ] - [ 0.0026049200000000, -0.0033105500000000, 0.0000000000000000 ] - [ 0.0015637800000000, -0.0004841800000000, 0.0000000000000000 ] - [ 0.0001916300000000, 0.0003558500000000, 0.0000000000000000 ] - [ 0.0009052300000000, -0.0007797700000000, 0.0000000000000000 ] - [ -0.0007429000000000, 0.0003336500000000, 0.0000000000000000 ] - [ -0.0001390100000000, 0.0007164400000000, 0.0000000000000000 ] - [ 0.0001338600000000, 0.0001892500000000, 0.0000000000000000 ] - [ 0.0002213700000000, -0.0002445500000000, 0.0000000000000000 ] - [ -0.0009445500000000, -0.0003791100000000, 0.0000000000000000 ] - [ 0.0005690500000000, -0.0004812900000000, 0.0000000000000000 ] - [ 0.0025213400000000, -0.0016415000000000, 0.0000000000000000 ] - [ 0.0011407200000000, 0.0011145000000000, 0.0000000000000000 ] - [ 0.0003688700000000, -0.0000651600000000, 0.0000000000000000 ] - [ 0.0030638500000000, 0.0040783600000000, 0.0000000000000000 ] - [ -0.0009558800000000, 0.0003380600000000, 0.0000000000000000 ] - [ 0.0006034200000000, 0.0004821300000000, 0.0000000000000000 ] - [ 0.0012331200000000, -0.0012236900000000, 0.0000000000000000 ] - [ 0.0002511100000000, -0.0004367500000000, 0.0000000000000000 ] - [ 0.0000830400000000, -0.0002324400000000, 0.0000000000000000 ] - [ -0.0007008000000000, 0.0000017700000000, 0.0000000000000000 ] - [ 0.0005655100000000, 0.0004246800000000, 0.0000000000000000 ] - [ 0.0011905200000000, 0.0009410000000000, 0.0000000000000000 ] - [ 0.0002779900000000, 0.0003897900000000, 0.0000000000000000 ] - [ 0.0004463600000000, 0.0000024600000000, 0.0000000000000000 ] - [ 0.0011036100000000, -0.0008379200000000, 0.0000000000000000 ] - [ 0.0025473600000000, 0.0016132400000000, 0.0000000000000000 ] - [ 0.0017112800000000, 0.0005690700000000, 0.0000000000000000 ] - [ 0.0001669100000000, -0.0004282800000000, 0.0000000000000000 ] - [ -0.0007458400000000, -0.0003601200000000, 0.0000000000000000 ] - [ 0.0003659200000000, 0.0000632800000000, 0.0000000000000000 ] - [ 0.0012087500000000, 0.0010927200000000, 0.0000000000000000 ] - [ 0.0002974100000000, -0.0003929800000000, 0.0000000000000000 ] - [ 0.0005492300000000, 0.0005682000000000, 0.0000000000000000 ] - [ 0.0001675900000000, 0.0002835800000000, 0.0000000000000000 ] - [ 0.0003222200000000, -0.0000043400000000, 0.0000000000000000 ] - [ -0.0001483900000000, -0.0007075200000000, 0.0000000000000000 ] - [ 0.0005592200000000, -0.0004364400000000, 0.0000000000000000 ] - [ 0.0002242900000000, 0.0005055400000000, 0.0000000000000000 ] - [ 0.0002649700000000, -0.0000034200000000, 0.0000000000000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0047085000000000, -0.0021553000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0050915200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0042296500000000, 0.0000000000000000 ] - [ -0.0083087100000000, 0.0075451200000000, 0.0000000000000000 ] - [ 0.0114768200000000, -0.0079529200000000, 0.0000000000000000 ] - [ 0.0083087100000000, 0.0075451200000000, 0.0000000000000000 ] - [ 0.0026264300000000, -0.0045784700000000, 0.0000000000000000 ] - [ -0.0015858500000000, 0.0029407000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0053765700000000, 0.0000000000000000 ] - [ 0.0015858500000000, 0.0029407000000000, 0.0000000000000000 ] - [ -0.0026264300000000, -0.0045784700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0596860100000000, 0.0000000000000000 ] - [ 0.0047085000000000, -0.0021553000000000, 0.0000000000000000 ] - [ -0.0011971400000000, 0.0062612300000000, 0.0000000000000000 ] - [ 0.0011971400000000, 0.0062612300000000, 0.0000000000000000 ] - [ -0.0114768200000000, -0.0079529200000000, 0.0000000000000000 ] - [ -0.0028251000000000, -0.0030648900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016376100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007645100000000, 0.0000000000000000 ] - [ -0.0003728900000000, -0.0016887400000000, 0.0000000000000000 ] - [ 0.0015738200000000, -0.0014655000000000, 0.0000000000000000 ] - [ 0.0003728900000000, -0.0016887400000000, 0.0000000000000000 ] - [ 0.0012774800000000, 0.0004987000000000, 0.0000000000000000 ] - [ -0.0015051400000000, -0.0043874500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011671900000000, 0.0000000000000000 ] - [ 0.0015051400000000, -0.0043874500000000, 0.0000000000000000 ] - [ -0.0012774800000000, 0.0004987000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010536500000000, 0.0000000000000000 ] - [ 0.0028251000000000, -0.0030648900000000, 0.0000000000000000 ] - [ -0.0007984300000000, -0.0032806100000000, 0.0000000000000000 ] - [ 0.0007984300000000, -0.0032806100000000, 0.0000000000000000 ] - [ -0.0015738200000000, -0.0014655000000000, 0.0000000000000000 ] - [ -0.0001584000000000, 0.0019234000000000, 0.0000000000000000 ] - [ -0.0023861200000000, 0.0020551600000000, 0.0000000000000000 ] - [ -0.0007290000000000, 0.0021137000000000, 0.0000000000000000 ] - [ 0.0006731800000000, 0.0009448500000000, 0.0000000000000000 ] - [ -0.0015107400000000, 0.0020794400000000, 0.0000000000000000 ] - [ 0.0008273900000000, -0.0023606400000000, 0.0000000000000000 ] - [ 0.0020436000000000, -0.0011525200000000, 0.0000000000000000 ] - [ 0.0006734600000000, 0.0005762400000000, 0.0000000000000000 ] - [ -0.0006734600000000, 0.0005762400000000, 0.0000000000000000 ] - [ -0.0009158600000000, -0.0009862800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002952500000000, 0.0000000000000000 ] - [ -0.0014110100000000, 0.0022938900000000, 0.0000000000000000 ] - [ 0.0028733900000000, 0.0029868900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.1010065100000000, 0.0000000000000000 ] - [ 0.0042123600000000, 0.0039545800000000, 0.0000000000000000 ] - [ 0.0001016200000000, -0.0007619200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015353600000000, 0.0000000000000000 ] - [ -0.0120127800000000, 0.0097399800000000, 0.0000000000000000 ] - [ -0.0006731800000000, 0.0009448500000000, 0.0000000000000000 ] - [ -0.0017533400000000, -0.0017988900000000, 0.0000000000000000 ] - [ -0.0003639900000000, -0.0005290800000000, 0.0000000000000000 ] - [ 0.0049146100000000, 0.0064662000000000, 0.0000000000000000 ] - [ 0.0120127800000000, 0.0097399800000000, 0.0000000000000000 ] - [ -0.0037544000000000, -0.0084609800000000, 0.0000000000000000 ] - [ 0.0066942100000000, 0.0005908800000000, 0.0000000000000000 ] - [ -0.0028733900000000, 0.0029868900000000, 0.0000000000000000 ] - [ 0.0021576000000000, 0.0025939100000000, 0.0000000000000000 ] - [ 0.0001584000000000, 0.0019234000000000, 0.0000000000000000 ] - [ -0.0036089700000000, -0.0001070700000000, 0.0000000000000000 ] - [ -0.0020436000000000, -0.0011525200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0188202100000000, 0.0000000000000000 ] - [ 0.0007290000000000, 0.0021137000000000, 0.0000000000000000 ] - [ -0.0049146100000000, 0.0064662000000000, 0.0000000000000000 ] - [ 0.0005174500000000, -0.0008522200000000, 0.0000000000000000 ] - [ 0.0017533400000000, -0.0017988900000000, 0.0000000000000000 ] - [ -0.0066942100000000, 0.0005908800000000, 0.0000000000000000 ] - [ -0.0008273900000000, -0.0023606400000000, 0.0000000000000000 ] - [ 0.0037544000000000, -0.0084609800000000, 0.0000000000000000 ] - [ 0.0036089700000000, -0.0001070700000000, 0.0000000000000000 ] - [ 0.0003639900000000, -0.0005290800000000, 0.0000000000000000 ] - [ 0.0001714100000000, -0.0004808500000000, 0.0000000000000000 ] - [ -0.0005174500000000, -0.0008522200000000, 0.0000000000000000 ] - [ 0.0009450400000000, -0.0004532100000000, 0.0000000000000000 ] - [ 0.0004221300000000, -0.0001956000000000, 0.0000000000000000 ] - [ -0.0042123600000000, 0.0039545800000000, 0.0000000000000000 ] - [ -0.0014316100000000, 0.0014938000000000, 0.0000000000000000 ] - [ -0.0002330300000000, 0.0014383500000000, 0.0000000000000000 ] - [ 0.0007207800000000, -0.0000136600000000, 0.0000000000000000 ] - [ -0.0007207800000000, -0.0000136600000000, 0.0000000000000000 ] - [ 0.0014110100000000, 0.0022938900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008192300000000, 0.0000000000000000 ] - [ 0.0009158600000000, -0.0009862800000000, 0.0000000000000000 ] - [ 0.0003380600000000, 0.0003712000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004259400000000, 0.0000000000000000 ] - [ 0.0015107400000000, 0.0020794400000000, 0.0000000000000000 ] - [ -0.0021576000000000, 0.0025939100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003616600000000, 0.0000000000000000 ] - [ -0.0005230000000000, 0.0005279500000000, 0.0000000000000000 ] - [ -0.0004221300000000, -0.0001956000000000, 0.0000000000000000 ] - [ -0.0001467200000000, 0.0004737500000000, 0.0000000000000000 ] - [ -0.0003652000000000, 0.0005961400000000, 0.0000000000000000 ] - [ 0.0013860900000000, 0.0013112800000000, 0.0000000000000000 ] - [ 0.0005230000000000, 0.0005279500000000, 0.0000000000000000 ] - [ 0.0006753300000000, 0.0010541300000000, 0.0000000000000000 ] - [ 0.0001520600000000, 0.0003846700000000, 0.0000000000000000 ] - [ -0.0003380600000000, 0.0003712000000000, 0.0000000000000000 ] - [ -0.0001016200000000, -0.0007619200000000, 0.0000000000000000 ] - [ -0.0001714100000000, -0.0004808500000000, 0.0000000000000000 ] - [ -0.0000366700000000, 0.0005295500000000, 0.0000000000000000 ] - [ 0.0002330300000000, 0.0014383500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003746400000000, 0.0000000000000000 ] - [ -0.0009450400000000, -0.0004532100000000, 0.0000000000000000 ] - [ -0.0013860900000000, 0.0013112800000000, 0.0000000000000000 ] - [ 0.0023861200000000, 0.0020551600000000, 0.0000000000000000 ] - [ 0.0001467200000000, 0.0004737500000000, 0.0000000000000000 ] - [ -0.0001520600000000, 0.0003846700000000, 0.0000000000000000 ] - [ 0.0014316100000000, 0.0014938000000000, 0.0000000000000000 ] - [ -0.0006753300000000, 0.0010541300000000, 0.0000000000000000 ] - [ 0.0000366700000000, 0.0005295500000000, 0.0000000000000000 ] - [ 0.0003652000000000, 0.0005961400000000, 0.0000000000000000 ]- atom: 46 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0046932500000000, 0.0024027100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0068095400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0039640000000000, 0.0000000000000000 ] - [ 0.0077524800000000, -0.0076896900000000, 0.0000000000000000 ] - [ -0.0111854800000000, 0.0079492600000000, 0.0000000000000000 ] - [ -0.0077524800000000, -0.0076896900000000, 0.0000000000000000 ] - [ -0.0028949800000000, 0.0045710600000000, 0.0000000000000000 ] - [ -0.0001413500000000, -0.0029386300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0036489200000000, 0.0000000000000000 ] - [ 0.0001413500000000, -0.0029386300000000, 0.0000000000000000 ] - [ 0.0028949800000000, 0.0045710600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0599673800000000, 0.0000000000000000 ] - [ -0.0046932500000000, 0.0024027100000000, 0.0000000000000000 ] - [ 0.0012086000000000, -0.0065009600000000, 0.0000000000000000 ] - [ -0.0012086000000000, -0.0065009600000000, 0.0000000000000000 ] - [ 0.0111854800000000, 0.0079492600000000, 0.0000000000000000 ] - [ 0.0028117700000000, 0.0033222600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000874700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005516000000000, 0.0000000000000000 ] - [ 0.0001595500000000, 0.0016877100000000, 0.0000000000000000 ] - [ -0.0013121100000000, 0.0014714900000000, 0.0000000000000000 ] - [ -0.0001595500000000, 0.0016877100000000, 0.0000000000000000 ] - [ -0.0015358700000000, -0.0005072900000000, 0.0000000000000000 ] - [ -0.0002248700000000, 0.0043844400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028885600000000, 0.0000000000000000 ] - [ 0.0002248700000000, 0.0043844400000000, 0.0000000000000000 ] - [ 0.0015358700000000, -0.0005072900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012647900000000, 0.0000000000000000 ] - [ -0.0028117700000000, 0.0033222600000000, 0.0000000000000000 ] - [ 0.0008112700000000, 0.0030195200000000, 0.0000000000000000 ] - [ -0.0008112700000000, 0.0030195200000000, 0.0000000000000000 ] - [ 0.0013121100000000, 0.0014714900000000, 0.0000000000000000 ] - [ -0.0002025500000000, -0.0025303800000000, 0.0000000000000000 ] - [ 0.0019252900000000, -0.0025192900000000, 0.0000000000000000 ] - [ 0.0010887900000000, -0.0015089800000000, 0.0000000000000000 ] - [ -0.0007335500000000, -0.0010281900000000, 0.0000000000000000 ] - [ 0.0019688700000000, -0.0016106500000000, 0.0000000000000000 ] - [ -0.0014313300000000, 0.0019959500000000, 0.0000000000000000 ] - [ -0.0014385000000000, 0.0015142500000000, 0.0000000000000000 ] - [ -0.0007579000000000, -0.0006279200000000, 0.0000000000000000 ] - [ 0.0007579000000000, -0.0006279200000000, 0.0000000000000000 ] - [ 0.0006691000000000, 0.0012312000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012543900000000, 0.0000000000000000 ] - [ 0.0016559800000000, -0.0020479900000000, 0.0000000000000000 ] - [ -0.0028436200000000, -0.0027102900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.1020510600000000, 0.0000000000000000 ] - [ -0.0046692600000000, -0.0034897800000000, 0.0000000000000000 ] - [ -0.0003472900000000, 0.0005165800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005810500000000, 0.0000000000000000 ] - [ 0.0119491100000000, -0.0099715600000000, 0.0000000000000000 ] - [ 0.0007335500000000, -0.0010281900000000, 0.0000000000000000 ] - [ 0.0016689300000000, 0.0018490400000000, 0.0000000000000000 ] - [ -0.0005973100000000, 0.0005293400000000, 0.0000000000000000 ] - [ -0.0046257800000000, -0.0064525000000000, 0.0000000000000000 ] - [ -0.0119491100000000, -0.0099715600000000, 0.0000000000000000 ] - [ 0.0034638800000000, 0.0084352800000000, 0.0000000000000000 ] - [ -0.0065899800000000, -0.0005419300000000, 0.0000000000000000 ] - [ 0.0028436200000000, -0.0027102900000000, 0.0000000000000000 ] - [ -0.0019104000000000, -0.0028344800000000, 0.0000000000000000 ] - [ 0.0002025500000000, -0.0025303800000000, 0.0000000000000000 ] - [ 0.0035433800000000, 0.0001783800000000, 0.0000000000000000 ] - [ 0.0014385000000000, 0.0015142500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0191375100000000, 0.0000000000000000 ] - [ -0.0010887900000000, -0.0015089800000000, 0.0000000000000000 ] - [ 0.0046257800000000, -0.0064525000000000, 0.0000000000000000 ] - [ -0.0000540400000000, 0.0003853100000000, 0.0000000000000000 ] - [ -0.0016689300000000, 0.0018490400000000, 0.0000000000000000 ] - [ 0.0065899800000000, -0.0005419300000000, 0.0000000000000000 ] - [ 0.0014313300000000, 0.0019959500000000, 0.0000000000000000 ] - [ -0.0034638800000000, 0.0084352800000000, 0.0000000000000000 ] - [ -0.0035433800000000, 0.0001783800000000, 0.0000000000000000 ] - [ 0.0005973100000000, 0.0005293400000000, 0.0000000000000000 ] - [ -0.0005312100000000, -0.0001259600000000, 0.0000000000000000 ] - [ 0.0000540400000000, 0.0003853100000000, 0.0000000000000000 ] - [ -0.0005835400000000, 0.0010570800000000, 0.0000000000000000 ] - [ -0.0004767900000000, 0.0001107900000000, 0.0000000000000000 ] - [ 0.0046692600000000, -0.0034897800000000, 0.0000000000000000 ] - [ 0.0008243200000000, -0.0018541200000000, 0.0000000000000000 ] - [ 0.0008409600000000, -0.0010763200000000, 0.0000000000000000 ] - [ -0.0008010400000000, -0.0000436700000000, 0.0000000000000000 ] - [ 0.0008010400000000, -0.0000436700000000, 0.0000000000000000 ] - [ -0.0016559800000000, -0.0020479900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001432000000000, 0.0000000000000000 ] - [ -0.0006691000000000, 0.0012312000000000, 0.0000000000000000 ] - [ -0.0002974100000000, -0.0000953700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005535900000000, 0.0000000000000000 ] - [ -0.0019688700000000, -0.0016106500000000, 0.0000000000000000 ] - [ 0.0019104000000000, -0.0028344800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005994700000000, 0.0000000000000000 ] - [ 0.0005630000000000, -0.0008032500000000, 0.0000000000000000 ] - [ 0.0004767900000000, 0.0001107900000000, 0.0000000000000000 ] - [ 0.0000647000000000, -0.0004169900000000, 0.0000000000000000 ] - [ -0.0005957300000000, -0.0005945700000000, 0.0000000000000000 ] - [ -0.0011081100000000, -0.0012687000000000, 0.0000000000000000 ] - [ -0.0005630000000000, -0.0008032500000000, 0.0000000000000000 ] - [ -0.0009519200000000, -0.0010953300000000, 0.0000000000000000 ] - [ -0.0000246800000000, -0.0003840400000000, 0.0000000000000000 ] - [ 0.0002974100000000, -0.0000953700000000, 0.0000000000000000 ] - [ 0.0003472900000000, 0.0005165800000000, 0.0000000000000000 ] - [ 0.0005312100000000, -0.0001259600000000, 0.0000000000000000 ] - [ -0.0000185800000000, -0.0004455900000000, 0.0000000000000000 ] - [ -0.0008409600000000, -0.0010763200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002456300000000, 0.0000000000000000 ] - [ 0.0005835400000000, 0.0010570800000000, 0.0000000000000000 ] - [ 0.0011081100000000, -0.0012687000000000, 0.0000000000000000 ] - [ -0.0019252900000000, -0.0025192900000000, 0.0000000000000000 ] - [ -0.0000647000000000, -0.0004169900000000, 0.0000000000000000 ] - [ 0.0000246800000000, -0.0003840400000000, 0.0000000000000000 ] - [ -0.0008243200000000, -0.0018541200000000, 0.0000000000000000 ] - [ 0.0009519200000000, -0.0010953300000000, 0.0000000000000000 ] - [ 0.0000185800000000, -0.0004455900000000, 0.0000000000000000 ] - [ 0.0005957300000000, -0.0005945700000000, 0.0000000000000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000908900000000, 0.0000808300000000, 0.0000048200000000 ] - [ 0.0000000000000000, 0.0007655900000000, 0.0000036900000000 ] - [ 0.0000000000000000, -0.0001534000000000, 0.0000365300000000 ] - [ -0.0004312400000000, -0.0002029400000000, 0.0026461200000000 ] - [ 0.0003531000000000, -0.0001596700000000, 0.0002154200000000 ] - [ 0.0004312400000000, -0.0002029400000000, 0.0026461200000000 ] - [ -0.0000995200000000, -0.0000788500000000, 0.0000084900000000 ] - [ -0.0008791900000000, 0.0000464700000000, -0.0000030000000000 ] - [ 0.0000000000000000, -0.0009374800000000, -0.0000019200000000 ] - [ 0.0008791900000000, 0.0000464700000000, -0.0000030000000000 ] - [ 0.0000995200000000, -0.0000788500000000, 0.0000084900000000 ] - [ 0.0000000000000000, 0.0014085300000000, 0.1141478600000000 ] - [ 0.0000908900000000, 0.0000808300000000, 0.0000048200000000 ] - [ 0.0000025700000000, -0.0000008200000000, -0.0000465300000000 ] - [ -0.0000025700000000, -0.0000008200000000, -0.0000465300000000 ] - [ -0.0003531000000000, -0.0001596700000000, 0.0002154200000000 ] - [ -0.0000619000000000, 0.0000756900000000, -0.0000140200000000 ] - [ 0.0000000000000000, 0.0008736700000000, -0.0000007300000000 ] - [ 0.0000000000000000, -0.0001180400000000, -0.0000009500000000 ] - [ -0.0001139300000000, -0.0000275100000000, -0.0000009300000000 ] - [ 0.0001555300000000, -0.0000188900000000, -0.0000066300000000 ] - [ 0.0001139300000000, -0.0000275100000000, -0.0000009300000000 ] - [ -0.0001080700000000, 0.0000037800000000, -0.0000074500000000 ] - [ -0.0008767500000000, -0.0000727400000000, -0.0000006700000000 ] - [ 0.0000000000000000, -0.0008260400000000, -0.0000016200000000 ] - [ 0.0008767500000000, -0.0000727400000000, -0.0000006700000000 ] - [ 0.0001080700000000, 0.0000037800000000, -0.0000074500000000 ] - [ 0.0000000000000000, 0.0000872400000000, -0.0000012700000000 ] - [ 0.0000619000000000, 0.0000756900000000, -0.0000140200000000 ] - [ 0.0000003200000000, -0.0001838000000000, 0.0000008500000000 ] - [ -0.0000003200000000, -0.0001838000000000, 0.0000008500000000 ] - [ -0.0001555300000000, -0.0000188900000000, -0.0000066300000000 ] - [ -0.0001838100000000, -0.0002632900000000, -0.0001575200000000 ] - [ -0.0002626300000000, -0.0001960300000000, 0.0000009600000000 ] - [ 0.0001646500000000, 0.0003310900000000, -0.0000039900000000 ] - [ -0.0000208100000000, -0.0000230600000000, 0.0000118500000000 ] - [ 0.0001993400000000, 0.0002667100000000, 0.0000212200000000 ] - [ -0.0002882700000000, -0.0002187600000000, 0.0000093700000000 ] - [ 0.0003316800000000, 0.0001606100000000, 0.0000046300000000 ] - [ -0.0000316200000000, -0.0000141100000000, 0.0000974700000000 ] - [ 0.0000316200000000, -0.0000141100000000, 0.0000974700000000 ] - [ -0.0001375000000000, 0.0001041100000000, -0.0000004100000000 ] - [ 0.0000000000000000, -0.0004695100000000, 0.0000017100000000 ] - [ 0.0000978000000000, 0.0001582100000000, -0.0000003600000000 ] - [ 0.0000552000000000, 0.0001749400000000, -0.0000452300000000 ] - [ 0.0000000000000000, -0.0013231200000000, -0.1876295700000000 ] - [ -0.0001482500000000, 0.0002988100000000, 0.0000497000000000 ] - [ -0.0001206000000000, -0.0001318200000000, -0.0000002500000000 ] - [ 0.0000000000000000, 0.0004987800000000, -0.0000138900000000 ] - [ -0.0004683200000000, 0.0002121800000000, 0.0051958700000000 ] - [ 0.0000208100000000, -0.0000230600000000, 0.0000118500000000 ] - [ -0.0000732400000000, -0.0000082000000000, 0.0000918200000000 ] - [ -0.0004792900000000, -0.0000079500000000, 0.0000028200000000 ] - [ 0.0002302400000000, 0.0001547700000000, 0.0008649900000000 ] - [ 0.0004683200000000, 0.0002121800000000, 0.0051958700000000 ] - [ -0.0002400000000000, -0.0001148200000000, -0.0006788400000000 ] - [ -0.0000878100000000, -0.0002038600000000, 0.0290006400000000 ] - [ -0.0000552000000000, 0.0001749400000000, -0.0000452300000000 ] - [ 0.0001560500000000, -0.0000764800000000, 0.0000010600000000 ] - [ 0.0001838100000000, -0.0002632900000000, -0.0001575200000000 ] - [ -0.0000980200000000, 0.0000395800000000, -0.0000611700000000 ] - [ -0.0003316800000000, 0.0001606100000000, 0.0000046300000000 ] - [ 0.0000000000000000, 0.0002415000000000, -0.0010118100000000 ] - [ -0.0001646500000000, 0.0003310900000000, -0.0000039900000000 ] - [ -0.0002302400000000, 0.0001547700000000, 0.0008649900000000 ] - [ 0.0002324900000000, -0.0002482700000000, 0.0000131700000000 ] - [ 0.0000732400000000, -0.0000082000000000, 0.0000918200000000 ] - [ 0.0000878100000000, -0.0002038600000000, 0.0290006400000000 ] - [ 0.0002882700000000, -0.0002187600000000, 0.0000093700000000 ] - [ 0.0002400000000000, -0.0001148200000000, -0.0006788400000000 ] - [ 0.0000980200000000, 0.0000395800000000, -0.0000611700000000 ] - [ 0.0004792900000000, -0.0000079500000000, 0.0000028200000000 ] - [ -0.0001753900000000, -0.0003051500000000, 0.0000005100000000 ] - [ -0.0002324900000000, -0.0002482700000000, 0.0000131700000000 ] - [ 0.0001941500000000, 0.0002885100000000, 0.0000005400000000 ] - [ -0.0000186800000000, -0.0000455800000000, 0.0000039700000000 ] - [ 0.0001482500000000, 0.0002988100000000, 0.0000497000000000 ] - [ -0.0003230300000000, -0.0001524400000000, 0.0000000600000000 ] - [ 0.0002952600000000, 0.0002026300000000, 0.0000028200000000 ] - [ -0.0000255300000000, -0.0000288500000000, 0.0000092600000000 ] - [ 0.0000255300000000, -0.0000288500000000, 0.0000092600000000 ] - [ -0.0000978000000000, 0.0001582100000000, -0.0000003600000000 ] - [ 0.0000000000000000, -0.0004882800000000, 0.0000003500000000 ] - [ 0.0001375000000000, 0.0001041100000000, -0.0000004100000000 ] - [ 0.0000238300000000, 0.0001401500000000, 0.0000007600000000 ] - [ 0.0000000000000000, -0.0000543900000000, -0.0000003700000000 ] - [ -0.0001993400000000, 0.0002667100000000, 0.0000212200000000 ] - [ -0.0001560500000000, -0.0000764800000000, 0.0000010600000000 ] - [ 0.0000000000000000, 0.0004798600000000, 0.0000003700000000 ] - [ 0.0000094500000000, -0.0001252600000000, 0.0000015100000000 ] - [ 0.0000186800000000, -0.0000455800000000, 0.0000039700000000 ] - [ -0.0000412600000000, 0.0000358200000000, -0.0000017100000000 ] - [ -0.0004794900000000, 0.0000106300000000, -0.0000005300000000 ] - [ 0.0001599700000000, 0.0000423100000000, 0.0000021200000000 ] - [ -0.0000094500000000, -0.0001252600000000, 0.0000015100000000 ] - [ -0.0001249700000000, -0.0000022600000000, -0.0000003700000000 ] - [ 0.0000647500000000, 0.0000067500000000, 0.0000007400000000 ] - [ -0.0000238300000000, 0.0001401500000000, 0.0000007600000000 ] - [ 0.0001206000000000, -0.0001318200000000, -0.0000002500000000 ] - [ 0.0001753900000000, -0.0003051500000000, 0.0000005100000000 ] - [ -0.0000268100000000, 0.0000501100000000, 0.0000018800000000 ] - [ -0.0002952600000000, 0.0002026300000000, 0.0000028200000000 ] - [ 0.0000000000000000, 0.0000685000000000, -0.0000000300000000 ] - [ -0.0001941500000000, 0.0002885100000000, 0.0000005400000000 ] - [ -0.0001599700000000, 0.0000423100000000, 0.0000021200000000 ] - [ 0.0002626300000000, -0.0001960300000000, 0.0000009600000000 ] - [ 0.0000412600000000, 0.0000358200000000, -0.0000017100000000 ] - [ -0.0000647500000000, 0.0000067500000000, 0.0000007400000000 ] - [ 0.0003230300000000, -0.0001524400000000, 0.0000000600000000 ] - [ 0.0001249700000000, -0.0000022600000000, -0.0000003700000000 ] - [ 0.0000268100000000, 0.0000501100000000, 0.0000018800000000 ] - [ 0.0004794900000000, 0.0000106300000000, -0.0000005300000000 ]