# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/07732fd4-0125-40f2-97b8-9fda7156b022/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 Tm2Pb2O7 / Fd-3m (227) / materials id 752411](https://mdr.nims.go.jp/datasets/03bfa46f-c4ff-4cc1-8b14-f3d288e93b4a) ## 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: "Fd-3m" number: 227 Hall_symbol: "F 4d 2 3 -1d"primitive_matrix:- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 0.000000000000000, 5.272777040000000, 5.272777040000000 ] # a - [ 5.272777040000000, 0.000000000000000, 5.272777040000000 ] # b - [ 5.272777040000000, 5.272777040000000, 0.000000000000000 ] # c points: - symbol: Tm # 1 coordinates: [ 0.625000000000000, 0.625000000000000, 0.125000000000000 ] mass: 168.934210 - symbol: Tm # 2 coordinates: [ 0.125000000000000, 0.625000000000000, 0.625000000000000 ] mass: 168.934210 - symbol: Tm # 3 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 168.934210 - symbol: Tm # 4 coordinates: [ 0.625000000000000, 0.125000000000000, 0.625000000000000 ] mass: 168.934210 - symbol: Pb # 5 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 207.200000 - symbol: Pb # 6 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 207.200000 - symbol: Pb # 7 coordinates: [ 0.125000000000000, 0.125000000000000, 0.125000000000000 ] mass: 207.200000 - symbol: Pb # 8 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 207.200000 - symbol: O # 9 coordinates: [ 0.022319020000000, 0.022319020000000, 0.477680980000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.227680980000000, 0.772319020000000, 0.227680980000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.772319020000000, 0.772319020000000, 0.227680980000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.022319020000000, 0.477680980000000, 0.477680980000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.477680980000000, 0.022319020000000, 0.477680980000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.477680980000000, 0.022319020000000, 0.022319020000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.227680980000000, 0.772319020000000, 0.772319020000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.772319020000000, 0.227680980000000, 0.227680980000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.772319020000000, 0.227680980000000, 0.772319020000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.477680980000000, 0.477680980000000, 0.022319020000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.022319020000000, 0.477680980000000, 0.022319020000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.227680980000000, 0.227680980000000, 0.772319020000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ -0.094826691173727, 0.094826691173727, 0.094826691173727 ] # a* - [ 0.094826691173727, -0.094826691173727, 0.094826691173727 ] # b* - [ 0.094826691173727, 0.094826691173727, -0.094826691173727 ] # c*unit_cell: lattice: - [ 10.545554080000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.545554080000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.545554080000000 ] # c points: - symbol: Tm # 1 coordinates: [ 0.375000000000000, 0.375000000000000, 0.625000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 2 coordinates: [ 0.625000000000000, 0.375000000000000, 0.375000000000000 ] mass: 168.934210 reduced_to: 2 - symbol: Tm # 3 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 168.934210 reduced_to: 3 - symbol: Tm # 4 coordinates: [ 0.375000000000000, 0.625000000000000, 0.375000000000000 ] mass: 168.934210 reduced_to: 4 - symbol: Tm # 5 coordinates: [ 0.375000000000000, 0.875000000000000, 0.125000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 6 coordinates: [ 0.625000000000000, 0.875000000000000, 0.875000000000000 ] mass: 168.934210 reduced_to: 2 - symbol: Tm # 7 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 168.934210 reduced_to: 3 - symbol: Tm # 8 coordinates: [ 0.375000000000000, 0.125000000000000, 0.875000000000000 ] mass: 168.934210 reduced_to: 4 - symbol: Tm # 9 coordinates: [ 0.875000000000000, 0.375000000000000, 0.125000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 10 coordinates: [ 0.125000000000000, 0.375000000000000, 0.875000000000000 ] mass: 168.934210 reduced_to: 2 - symbol: Tm # 11 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 168.934210 reduced_to: 3 - symbol: Tm # 12 coordinates: [ 0.875000000000000, 0.625000000000000, 0.875000000000000 ] mass: 168.934210 reduced_to: 4 - symbol: Tm # 13 coordinates: [ 0.875000000000000, 0.875000000000000, 0.625000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 14 coordinates: [ 0.125000000000000, 0.875000000000000, 0.375000000000000 ] mass: 168.934210 reduced_to: 2 - symbol: Tm # 15 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 168.934210 reduced_to: 3 - symbol: Tm # 16 coordinates: [ 0.875000000000000, 0.125000000000000, 0.375000000000000 ] mass: 168.934210 reduced_to: 4 - symbol: Pb # 17 coordinates: [ 0.125000000000000, 0.375000000000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 18 coordinates: [ 0.875000000000000, 0.625000000000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 18 - symbol: Pb # 19 coordinates: [ 0.125000000000000, 0.625000000000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 20 coordinates: [ 0.375000000000000, 0.375000000000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 20 - symbol: Pb # 21 coordinates: [ 0.125000000000000, 0.875000000000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 22 coordinates: [ 0.875000000000000, 0.125000000000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 18 - symbol: Pb # 23 coordinates: [ 0.125000000000000, 0.125000000000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 24 coordinates: [ 0.375000000000000, 0.875000000000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 20 - symbol: Pb # 25 coordinates: [ 0.625000000000000, 0.375000000000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 26 coordinates: [ 0.375000000000000, 0.625000000000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 18 - symbol: Pb # 27 coordinates: [ 0.625000000000000, 0.625000000000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 28 coordinates: [ 0.875000000000000, 0.375000000000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 20 - symbol: Pb # 29 coordinates: [ 0.625000000000000, 0.875000000000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 30 coordinates: [ 0.375000000000000, 0.125000000000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 18 - symbol: Pb # 31 coordinates: [ 0.625000000000000, 0.125000000000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 32 coordinates: [ 0.875000000000000, 0.875000000000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 20 - symbol: O # 33 coordinates: [ 0.250000000000000, 0.750000000000000, 0.522319020000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.000000000000000, 0.727680980000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.500000000000000, 0.500000000000000, 0.772319020000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.977680980000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.250000000000000, 0.477680980000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.522319020000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.772319020000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.227680980000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.500000000000000, 0.772319020000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.250000000000000, 0.750000000000000, 0.977680980000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.750000000000000, 0.522319020000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.500000000000000, 0.500000000000000, 0.227680980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.250000000000000, 0.250000000000000, 0.022319020000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 48 coordinates: [ 0.000000000000000, 0.227680980000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 49 coordinates: [ 0.500000000000000, 0.000000000000000, 0.272319020000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 50 coordinates: [ 0.977680980000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 51 coordinates: [ 0.250000000000000, 0.977680980000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 52 coordinates: [ 0.522319020000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 53 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 55 coordinates: [ 0.772319020000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 56 coordinates: [ 0.227680980000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 57 coordinates: [ 0.500000000000000, 0.272319020000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 58 coordinates: [ 0.250000000000000, 0.250000000000000, 0.477680980000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 59 coordinates: [ 0.750000000000000, 0.022319020000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 60 coordinates: [ 0.500000000000000, 0.000000000000000, 0.727680980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 61 coordinates: [ 0.750000000000000, 0.750000000000000, 0.022319020000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 62 coordinates: [ 0.500000000000000, 0.727680980000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 63 coordinates: [ 0.000000000000000, 0.500000000000000, 0.272319020000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 64 coordinates: [ 0.477680980000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 65 coordinates: [ 0.750000000000000, 0.477680980000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 66 coordinates: [ 0.022319020000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 67 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 68 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 69 coordinates: [ 0.272319020000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 70 coordinates: [ 0.727680980000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 71 coordinates: [ 0.000000000000000, 0.772319020000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 72 coordinates: [ 0.750000000000000, 0.750000000000000, 0.477680980000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 73 coordinates: [ 0.250000000000000, 0.522319020000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 74 coordinates: [ 0.000000000000000, 0.500000000000000, 0.727680980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 75 coordinates: [ 0.750000000000000, 0.250000000000000, 0.522319020000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 76 coordinates: [ 0.500000000000000, 0.227680980000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.772319020000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 78 coordinates: [ 0.477680980000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 79 coordinates: [ 0.750000000000000, 0.977680980000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 80 coordinates: [ 0.022319020000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 81 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 82 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 83 coordinates: [ 0.272319020000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 84 coordinates: [ 0.727680980000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 85 coordinates: [ 0.000000000000000, 0.272319020000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 86 coordinates: [ 0.750000000000000, 0.250000000000000, 0.977680980000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 87 coordinates: [ 0.250000000000000, 0.022319020000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 88 coordinates: [ 0.000000000000000, 0.000000000000000, 0.227680980000000 ] mass: 15.999400 reduced_to: 46supercell: lattice: - [ 10.545554080000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.545554080000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.545554080000000 ] # c points: - symbol: Tm # 1 coordinates: [ 0.375000000000000, 0.375000000000000, 0.625000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 2 coordinates: [ 0.625000000000000, 0.375000000000000, 0.375000000000000 ] mass: 168.934210 reduced_to: 2 - symbol: Tm # 3 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 168.934210 reduced_to: 3 - symbol: Tm # 4 coordinates: [ 0.375000000000000, 0.625000000000000, 0.375000000000000 ] mass: 168.934210 reduced_to: 4 - symbol: Tm # 5 coordinates: [ 0.375000000000000, 0.875000000000000, 0.125000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 6 coordinates: [ 0.625000000000000, 0.875000000000000, 0.875000000000000 ] mass: 168.934210 reduced_to: 2 - symbol: Tm # 7 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 168.934210 reduced_to: 3 - symbol: Tm # 8 coordinates: [ 0.375000000000000, 0.125000000000000, 0.875000000000000 ] mass: 168.934210 reduced_to: 4 - symbol: Tm # 9 coordinates: [ 0.875000000000000, 0.375000000000000, 0.125000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 10 coordinates: [ 0.125000000000000, 0.375000000000000, 0.875000000000000 ] mass: 168.934210 reduced_to: 2 - symbol: Tm # 11 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 168.934210 reduced_to: 3 - symbol: Tm # 12 coordinates: [ 0.875000000000000, 0.625000000000000, 0.875000000000000 ] mass: 168.934210 reduced_to: 4 - symbol: Tm # 13 coordinates: [ 0.875000000000000, 0.875000000000000, 0.625000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 14 coordinates: [ 0.125000000000000, 0.875000000000000, 0.375000000000000 ] mass: 168.934210 reduced_to: 2 - symbol: Tm # 15 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 168.934210 reduced_to: 3 - symbol: Tm # 16 coordinates: [ 0.875000000000000, 0.125000000000000, 0.375000000000000 ] mass: 168.934210 reduced_to: 4 - symbol: Pb # 17 coordinates: [ 0.125000000000000, 0.375000000000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 18 coordinates: [ 0.875000000000000, 0.625000000000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 18 - symbol: Pb # 19 coordinates: [ 0.125000000000000, 0.625000000000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 20 coordinates: [ 0.375000000000000, 0.375000000000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 20 - symbol: Pb # 21 coordinates: [ 0.125000000000000, 0.875000000000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 22 coordinates: [ 0.875000000000000, 0.125000000000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 18 - symbol: Pb # 23 coordinates: [ 0.125000000000000, 0.125000000000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 24 coordinates: [ 0.375000000000000, 0.875000000000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 20 - symbol: Pb # 25 coordinates: [ 0.625000000000000, 0.375000000000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 26 coordinates: [ 0.375000000000000, 0.625000000000000, 0.875000000000000 ] mass: 207.200000 reduced_to: 18 - symbol: Pb # 27 coordinates: [ 0.625000000000000, 0.625000000000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 28 coordinates: [ 0.875000000000000, 0.375000000000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 20 - symbol: Pb # 29 coordinates: [ 0.625000000000000, 0.875000000000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 30 coordinates: [ 0.375000000000000, 0.125000000000000, 0.375000000000000 ] mass: 207.200000 reduced_to: 18 - symbol: Pb # 31 coordinates: [ 0.625000000000000, 0.125000000000000, 0.625000000000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 32 coordinates: [ 0.875000000000000, 0.875000000000000, 0.125000000000000 ] mass: 207.200000 reduced_to: 20 - symbol: O # 33 coordinates: [ 0.250000000000000, 0.750000000000000, 0.522319020000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.000000000000000, 0.727680980000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.500000000000000, 0.500000000000000, 0.772319020000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.977680980000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.250000000000000, 0.477680980000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.522319020000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.772319020000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.227680980000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.500000000000000, 0.772319020000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.250000000000000, 0.750000000000000, 0.977680980000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.750000000000000, 0.522319020000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.500000000000000, 0.500000000000000, 0.227680980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.250000000000000, 0.250000000000000, 0.022319020000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 48 coordinates: [ 0.000000000000000, 0.227680980000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 49 coordinates: [ 0.500000000000000, 0.000000000000000, 0.272319020000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 50 coordinates: [ 0.977680980000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 51 coordinates: [ 0.250000000000000, 0.977680980000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 52 coordinates: [ 0.522319020000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 53 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 55 coordinates: [ 0.772319020000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 56 coordinates: [ 0.227680980000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 57 coordinates: [ 0.500000000000000, 0.272319020000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 58 coordinates: [ 0.250000000000000, 0.250000000000000, 0.477680980000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 59 coordinates: [ 0.750000000000000, 0.022319020000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 60 coordinates: [ 0.500000000000000, 0.000000000000000, 0.727680980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 61 coordinates: [ 0.750000000000000, 0.750000000000000, 0.022319020000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 62 coordinates: [ 0.500000000000000, 0.727680980000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 63 coordinates: [ 0.000000000000000, 0.500000000000000, 0.272319020000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 64 coordinates: [ 0.477680980000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 65 coordinates: [ 0.750000000000000, 0.477680980000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 66 coordinates: [ 0.022319020000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 67 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 68 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 69 coordinates: [ 0.272319020000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 70 coordinates: [ 0.727680980000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 71 coordinates: [ 0.000000000000000, 0.772319020000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 72 coordinates: [ 0.750000000000000, 0.750000000000000, 0.477680980000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 73 coordinates: [ 0.250000000000000, 0.522319020000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 74 coordinates: [ 0.000000000000000, 0.500000000000000, 0.727680980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 75 coordinates: [ 0.750000000000000, 0.250000000000000, 0.522319020000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 76 coordinates: [ 0.500000000000000, 0.227680980000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.772319020000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 78 coordinates: [ 0.477680980000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 79 coordinates: [ 0.750000000000000, 0.977680980000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 80 coordinates: [ 0.022319020000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 81 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 82 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 83 coordinates: [ 0.272319020000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 84 coordinates: [ 0.727680980000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 85 coordinates: [ 0.000000000000000, 0.272319020000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 86 coordinates: [ 0.750000000000000, 0.250000000000000, 0.977680980000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 87 coordinates: [ 0.250000000000000, 0.022319020000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 88 coordinates: [ 0.000000000000000, 0.000000000000000, 0.227680980000000 ] mass: 15.999400 reduced_to: 46displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0888932900000000, -0.0140584600000000, 0.0140584600000000 ] - [ 0.0103630500000000, -0.0033101000000000, -0.0136681800000000 ] - [ 0.0003423700000000, -0.0008485500000000, 0.0000750700000000 ] - [ -0.0137372500000000, 0.0032973900000000, -0.0032973900000000 ] - [ -0.0033578800000000, 0.0002782500000000, -0.0002782500000000 ] - [ 0.0003368800000000, -0.0000767900000000, 0.0008504300000000 ] - [ 0.0103257000000000, 0.0135468800000000, 0.0033122700000000 ] - [ -0.0137384200000000, 0.0033263600000000, -0.0033263600000000 ] - [ 0.0038149000000000, 0.0002780200000000, 0.0004594600000000 ] - [ 0.0103257000000000, -0.0033122700000000, -0.0135468800000000 ] - [ 0.0103630500000000, 0.0136681800000000, 0.0033101000000000 ] - [ 0.0044857000000000, 0.0000826200000000, -0.0000706100000000 ] - [ 0.0038149000000000, -0.0004594600000000, -0.0002780200000000 ] - [ 0.0003423700000000, -0.0000750700000000, 0.0008485500000000 ] - [ 0.0003368800000000, -0.0008504300000000, 0.0000767900000000 ] - [ 0.0044857000000000, 0.0000706100000000, -0.0000826200000000 ] - [ 0.0112488100000000, 0.0007367900000000, 0.0137333400000000 ] - [ 0.0048215700000000, 0.0005447600000000, -0.0005447600000000 ] - [ 0.0112488100000000, -0.0137333400000000, -0.0007367900000000 ] - [ -0.0064644800000000, 0.0008159900000000, 0.0009512800000000 ] - [ 0.0008143400000000, -0.0006862900000000, -0.0009865300000000 ] - [ 0.0048155100000000, 0.0005346000000000, -0.0005346000000000 ] - [ 0.0008143400000000, 0.0009865300000000, 0.0006862900000000 ] - [ -0.0064644800000000, -0.0009512800000000, -0.0008159900000000 ] - [ 0.0112822100000000, 0.0007390800000000, 0.0138450400000000 ] - [ -0.0162092700000000, 0.0023574000000000, -0.0023632300000000 ] - [ 0.0008113500000000, 0.0009921400000000, 0.0006794900000000 ] - [ 0.0103208900000000, -0.0005164000000000, 0.0005164000000000 ] - [ 0.0008113500000000, -0.0006794900000000, -0.0009921400000000 ] - [ -0.0162092700000000, 0.0023632300000000, -0.0023574000000000 ] - [ 0.0112822100000000, -0.0138450400000000, -0.0007390800000000 ] - [ 0.0022806400000000, -0.0002150300000000, 0.0002150300000000 ] - [ 0.0027582800000000, 0.0031321900000000, -0.0012532900000000 ] - [ -0.0023116600000000, 0.0012061500000000, -0.0006297400000000 ] - [ 0.0092700200000000, -0.0044806700000000, -0.0078054600000000 ] - [ -0.0008214600000000, 0.0003016700000000, -0.0003016700000000 ] - [ 0.0027582800000000, 0.0012532900000000, -0.0031321900000000 ] - [ 0.0005975600000000, 0.0000267300000000, -0.0000267300000000 ] - [ 0.0019450600000000, -0.0007959400000000, 0.0007959400000000 ] - [ 0.0123654900000000, -0.0006820700000000, 0.0006820700000000 ] - [ -0.0044212200000000, -0.0006497700000000, 0.0006497700000000 ] - [ 0.0032846500000000, 0.0041787800000000, -0.0041787800000000 ] - [ 0.0015422100000000, -0.0025627900000000, 0.0002567700000000 ] - [ 0.0000768000000000, 0.0016185700000000, 0.0021065300000000 ] - [ -0.0016148300000000, -0.0005099900000000, 0.0006199800000000 ] - [ 0.0015422100000000, -0.0002567700000000, 0.0025627900000000 ] - [ 0.0015419100000000, -0.0002559700000000, 0.0025609900000000 ] - [ -0.0016194500000000, -0.0005144900000000, 0.0006179200000000 ] - [ 0.0000785400000000, 0.0016175000000000, 0.0021138400000000 ] - [ -0.0044245400000000, -0.0006377100000000, 0.0006377100000000 ] - [ 0.0015419100000000, -0.0025609900000000, 0.0002559700000000 ] - [ 0.0036965700000000, 0.0039118300000000, -0.0039118300000000 ] - [ 0.0118954300000000, -0.0010926900000000, 0.0010926900000000 ] - [ 0.0019456300000000, -0.0007949000000000, 0.0007949000000000 ] - [ -0.0008219700000000, 0.0003047700000000, -0.0003047700000000 ] - [ 0.0005938200000000, 0.0000256200000000, -0.0000256200000000 ] - [ 0.0027651000000000, 0.0012583800000000, -0.0031433800000000 ] - [ 0.0090032700000000, -0.0046357300000000, -0.0079734800000000 ] - [ -0.0023063100000000, 0.0012143400000000, -0.0006334800000000 ] - [ 0.0027651000000000, 0.0031433800000000, -0.0012583800000000 ] - [ -0.0010302000000000, -0.0002762200000000, -0.0000623300000000 ] - [ 0.0000785400000000, -0.0021138400000000, -0.0016175000000000 ] - [ -0.0023116600000000, 0.0006297400000000, -0.0012061500000000 ] - [ 0.0031781500000000, -0.0014934800000000, 0.0000846100000000 ] - [ -0.0051727700000000, -0.0011280300000000, 0.0001549900000000 ] - [ -0.0019081600000000, 0.0010325800000000, 0.0002663400000000 ] - [ -0.0023254900000000, -0.0015811300000000, -0.0012130900000000 ] - [ -0.0023246200000000, 0.0012109400000000, 0.0015793300000000 ] - [ 0.0031766700000000, -0.0000821300000000, 0.0014919600000000 ] - [ -0.0019064600000000, -0.0002699400000000, -0.0010310500000000 ] - [ -0.0010295700000000, 0.0000653300000000, 0.0002731600000000 ] - [ -0.0016148300000000, -0.0006199800000000, 0.0005099900000000 ] - [ 0.0090032700000000, 0.0079734800000000, 0.0046357300000000 ] - [ -0.0051663900000000, -0.0001731900000000, 0.0011082400000000 ] - [ -0.0051727700000000, -0.0001549900000000, 0.0011280300000000 ] - [ 0.0092700200000000, 0.0078054600000000, 0.0044806700000000 ] - [ -0.0016194500000000, -0.0006179200000000, 0.0005144900000000 ] - [ 0.0031781500000000, -0.0000846100000000, 0.0014934800000000 ] - [ -0.0010302000000000, 0.0000623300000000, 0.0002762200000000 ] - [ -0.0019081600000000, -0.0002663400000000, -0.0010325800000000 ] - [ -0.0023254900000000, 0.0012130900000000, 0.0015811300000000 ] - [ -0.0023246200000000, -0.0015793300000000, -0.0012109400000000 ] - [ 0.0031766700000000, -0.0014919600000000, 0.0000821300000000 ] - [ -0.0019064600000000, 0.0010310500000000, 0.0002699400000000 ] - [ -0.0051663900000000, -0.0011082400000000, 0.0001731900000000 ] - [ -0.0023063100000000, 0.0006334800000000, -0.0012143400000000 ] - [ 0.0000768000000000, -0.0021065300000000, -0.0016185700000000 ] - [ -0.0010295700000000, -0.0002731600000000, -0.0000653300000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0112799800000000, 0.0023629300000000, 0.0138444300000000 ] - [ 0.0103169200000000, 0.0009476600000000, 0.0009476600000000 ] - [ -0.0162098500000000, 0.0007345400000000, 0.0007463800000000 ] - [ 0.0112799800000000, 0.0138444300000000, 0.0023629300000000 ] - [ 0.0008112000000000, 0.0005360700000000, -0.0009927000000000 ] - [ 0.0022787000000000, 0.0002126800000000, 0.0002126800000000 ] - [ -0.0162098500000000, 0.0007463800000000, 0.0007345400000000 ] - [ 0.0008112000000000, -0.0009927000000000, 0.0005360700000000 ] - [ 0.0112543200000000, 0.0023534700000000, 0.0137277100000000 ] - [ -0.0064734000000000, -0.0008153000000000, 0.0005174400000000 ] - [ 0.0048203600000000, -0.0006681400000000, -0.0006681400000000 ] - [ 0.0008182900000000, -0.0009888400000000, 0.0005392900000000 ] - [ 0.0008182900000000, 0.0005392900000000, -0.0009888400000000 ] - [ -0.0064734000000000, 0.0005174400000000, -0.0008153000000000 ] - [ 0.0048242400000000, -0.0006869200000000, -0.0006869200000000 ] - [ 0.0112543200000000, 0.0137277100000000, 0.0023534700000000 ] - [ -0.2174320500000000, -0.0347019600000000, -0.0347019600000000 ] - [ 0.0129423700000000, -0.0179897900000000, -0.0054571200000000 ] - [ -0.0119254400000000, 0.0054374300000000, 0.0054374300000000 ] - [ 0.0129752500000000, -0.0054542700000000, -0.0181261300000000 ] - [ -0.0028165900000000, -0.0000505600000000, -0.0000505600000000 ] - [ 0.0019152300000000, 0.0027710100000000, -0.0000235000000000 ] - [ -0.0119466900000000, 0.0054774600000000, 0.0054774600000000 ] - [ 0.0019041600000000, -0.0000269400000000, 0.0027740000000000 ] - [ 0.0042363800000000, -0.0000502500000000, 0.0005795800000000 ] - [ 0.0019041600000000, 0.0027740000000000, -0.0000269400000000 ] - [ 0.0061992000000000, 0.0000347400000000, 0.0000166300000000 ] - [ 0.0129423700000000, -0.0054571200000000, -0.0179897900000000 ] - [ 0.0042363800000000, 0.0005795800000000, -0.0000502500000000 ] - [ 0.0129752500000000, -0.0181261300000000, -0.0054542700000000 ] - [ 0.0061992000000000, 0.0000166300000000, 0.0000347400000000 ] - [ 0.0019152300000000, -0.0000235000000000, 0.0027710100000000 ] - [ -0.0000008900000000, -0.0037142100000000, -0.0003728700000000 ] - [ 0.0038933800000000, 0.0009966500000000, 0.0033819800000000 ] - [ -0.0024495300000000, -0.0003645200000000, -0.0007992200000000 ] - [ 0.0008144000000000, 0.0048120800000000, -0.0014532900000000 ] - [ 0.0311838400000000, 0.0217660300000000, -0.0228598900000000 ] - [ -0.0021946000000000, -0.0009715200000000, 0.0005734700000000 ] - [ 0.0022456900000000, -0.0035729700000000, 0.0008538500000000 ] - [ -0.0052519100000000, -0.0011244200000000, -0.0011244200000000 ] - [ -0.0060982700000000, 0.0020154600000000, 0.0020154600000000 ] - [ 0.0300523600000000, 0.0193941100000000, 0.0193941100000000 ] - [ -0.0024495300000000, -0.0007992200000000, -0.0003645200000000 ] - [ 0.0015557300000000, -0.0005951400000000, -0.0006641600000000 ] - [ -0.0071099500000000, 0.0006809200000000, -0.0025689700000000 ] - [ -0.0071064000000000, -0.0025777200000000, 0.0007264100000000 ] - [ 0.0039074200000000, 0.0033840600000000, 0.0009692400000000 ] - [ -0.0000089400000000, -0.0003403700000000, -0.0037338200000000 ] - [ -0.0008928400000000, 0.0007026100000000, 0.0002061900000000 ] - [ 0.0008144000000000, -0.0014532900000000, 0.0048120800000000 ] - [ 0.0015557300000000, -0.0006641600000000, -0.0005951400000000 ] - [ -0.0021946000000000, 0.0005734700000000, -0.0009715200000000 ] - [ 0.0022456900000000, 0.0008538500000000, -0.0035729700000000 ] - [ -0.0010161200000000, -0.0000334400000000, -0.0000334400000000 ] - [ -0.0009554600000000, -0.0001220100000000, -0.0001220100000000 ] - [ 0.0008425800000000, 0.0006899400000000, 0.0006899400000000 ] - [ -0.0008928400000000, 0.0002061900000000, 0.0007026100000000 ] - [ 0.0311838400000000, -0.0228598900000000, 0.0217660300000000 ] - [ -0.0007731400000000, -0.0007387900000000, 0.0003207500000000 ] - [ -0.0007722100000000, 0.0003264600000000, -0.0007170700000000 ] - [ -0.0007731400000000, 0.0003207500000000, -0.0007387900000000 ] - [ -0.0007722100000000, -0.0007170700000000, 0.0003264600000000 ] - [ 0.0305158900000000, -0.0217895100000000, 0.0207908500000000 ] - [ -0.0009218100000000, -0.0001236200000000, -0.0001236200000000 ] - [ -0.0008926900000000, 0.0002257600000000, 0.0006959100000000 ] - [ 0.0008142700000000, 0.0006908200000000, 0.0006908200000000 ] - [ -0.0010195200000000, -0.0000396200000000, -0.0000396200000000 ] - [ 0.0022371100000000, 0.0008538600000000, -0.0035707800000000 ] - [ 0.0007841500000000, -0.0014526500000000, 0.0048139200000000 ] - [ -0.0021734100000000, 0.0005719700000000, -0.0009689900000000 ] - [ 0.0015581200000000, -0.0006882500000000, -0.0005993700000000 ] - [ -0.0008926900000000, 0.0006959100000000, 0.0002257600000000 ] - [ -0.0000008900000000, -0.0003728700000000, -0.0037142100000000 ] - [ 0.0038933800000000, 0.0033819800000000, 0.0009966500000000 ] - [ -0.0071099500000000, -0.0025689700000000, 0.0006809200000000 ] - [ -0.0071064000000000, 0.0007264100000000, -0.0025777200000000 ] - [ 0.0015581200000000, -0.0005993700000000, -0.0006882500000000 ] - [ -0.0060826500000000, 0.0020392700000000, 0.0020392700000000 ] - [ -0.0024584700000000, -0.0007718000000000, -0.0003543700000000 ] - [ 0.0297342100000000, 0.0187203200000000, 0.0187203200000000 ] - [ -0.0052486800000000, -0.0011005600000000, -0.0011005600000000 ] - [ 0.0022371100000000, -0.0035707800000000, 0.0008538600000000 ] - [ 0.0007841500000000, 0.0048139200000000, -0.0014526500000000 ] - [ -0.0021734100000000, -0.0009689900000000, 0.0005719700000000 ] - [ 0.0305158900000000, 0.0207908500000000, -0.0217895100000000 ] - [ -0.0024584700000000, -0.0003543700000000, -0.0007718000000000 ] - [ 0.0039074200000000, 0.0009692400000000, 0.0033840600000000 ] - [ -0.0000089400000000, -0.0037338200000000, -0.0003403700000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0027747100000000, -0.0001625200000000, 0.0000813300000000 ] - [ -0.0016136600000000, 0.0006224700000000, -0.0000243200000000 ] - [ 0.0015336700000000, -0.0002538800000000, -0.0006422300000000 ] - [ 0.0092537900000000, 0.0044649600000000, 0.0039190000000000 ] - [ 0.0015494800000000, -0.0002576200000000, 0.0006472400000000 ] - [ -0.0023052500000000, -0.0016221200000000, -0.0010301800000000 ] - [ 0.0027483900000000, -0.0001658300000000, -0.0000858300000000 ] - [ 0.0000858900000000, -0.0006265200000000, -0.0002605800000000 ] - [ -0.0010332200000000, -0.0002729100000000, -0.0003008900000000 ] - [ 0.0000705400000000, -0.0006329100000000, 0.0002736400000000 ] - [ -0.0051675000000000, 0.0031428700000000, -0.0015045000000000 ] - [ -0.0023103700000000, -0.0016136900000000, 0.0010312700000000 ] - [ -0.0051694600000000, 0.0031299600000000, 0.0014823900000000 ] - [ 0.0090166900000000, 0.0046541500000000, -0.0041748200000000 ] - [ -0.0010297100000000, -0.0002759300000000, 0.0003077200000000 ] - [ -0.0016219700000000, 0.0006136300000000, 0.0000279600000000 ] - [ -0.0000218500000000, -0.0025790800000000, -0.0014693300000000 ] - [ -0.0071093800000000, -0.0037057500000000, -0.0047885100000000 ] - [ 0.0304780400000000, 0.0217541200000000, -0.0185801500000000 ] - [ 0.0015620700000000, 0.0003562600000000, 0.0005736600000000 ] - [ 0.0038815300000000, 0.0033689800000000, 0.0020346800000000 ] - [ -0.0007757200000000, 0.0003202300000000, 0.0001200600000000 ] - [ 0.0015539600000000, 0.0003587000000000, -0.0005663800000000 ] - [ 0.0312188000000000, 0.0228948800000000, 0.0195328600000000 ] - [ -0.0007688900000000, 0.0003240900000000, -0.0001199500000000 ] - [ 0.0039072700000000, 0.0033891700000000, -0.0020164400000000 ] - [ -0.0024484300000000, 0.0006010200000000, 0.0009741800000000 ] - [ -0.0008989700000000, -0.0006941300000000, 0.0006856800000000 ] - [ -0.0071117100000000, -0.0037390000000000, 0.0048313800000000 ] - [ 0.0000163600000000, -0.0025702100000000, 0.0014290400000000 ] - [ -0.0008871200000000, -0.0006998500000000, -0.0006970600000000 ] - [ -0.0024545700000000, 0.0005917400000000, -0.0009655800000000 ] - [ -0.1173095200000000, -0.0643245300000000, -0.0005925800000000 ] - [ 0.0278405400000000, 0.0052046400000000, 0.0067328500000000 ] - [ -0.0003405700000000, -0.0013351900000000, 0.0003729900000000 ] - [ 0.0007771500000000, -0.0003118500000000, 0.0025162200000000 ] - [ -0.0017299900000000, -0.0007351500000000, 0.0003225400000000 ] - [ 0.0007960200000000, -0.0003251000000000, -0.0025470500000000 ] - [ -0.0055499700000000, 0.0005694800000000, 0.0000254400000000 ] - [ 0.0009148100000000, -0.0029928000000000, 0.0005043800000000 ] - [ 0.0020870900000000, 0.0007560300000000, -0.0004437600000000 ] - [ -0.0061208300000000, 0.0068458000000000, 0.0016751000000000 ] - [ 0.0283974400000000, 0.0053016900000000, -0.0068758600000000 ] - [ -0.0013637200000000, 0.0000006500000000, -0.0000214500000000 ] - [ 0.0007646600000000, -0.0002252600000000, -0.0000231000000000 ] - [ 0.0017111500000000, -0.0023878400000000, -0.0025750500000000 ] - [ -0.0002253300000000, 0.0002278100000000, 0.0000199300000000 ] - [ 0.0000474900000000, -0.0001819800000000, 0.0001117300000000 ] - [ -0.0003463400000000, 0.0013418500000000, -0.0013924600000000 ] - [ -0.0000246600000000, -0.0000196400000000, 0.0000434700000000 ] - [ -0.0027048300000000, 0.0004111200000000, 0.0014465600000000 ] - [ 0.0000133800000000, -0.0000235300000000, -0.0000428400000000 ] - [ -0.0003812900000000, 0.0006794100000000, -0.0000000400000000 ] - [ 0.0000308100000000, 0.0002422600000000, -0.0000115000000000 ] - [ 0.0007876500000000, 0.0001126600000000, 0.0002247800000000 ] - [ -0.0006258100000000, 0.0001623800000000, 0.0004489000000000 ] - [ 0.0000439300000000, -0.0001478600000000, -0.0001130400000000 ] - [ -0.0006152000000000, 0.0026415200000000, -0.0000176500000000 ] - [ 0.0007604600000000, -0.0002112500000000, -0.0000082600000000 ] - [ -0.0000627900000000, 0.0002853100000000, 0.0004565300000000 ] - [ 0.0012471600000000, 0.0002304100000000, 0.0000172300000000 ] - [ 0.0000876300000000, -0.0000751400000000, 0.0007708800000000 ] - [ -0.0003286100000000, 0.0013250900000000, 0.0014210900000000 ] - [ 0.0029651900000000, -0.0014670200000000, 0.0050284100000000 ] - [ 0.0007649500000000, -0.0002540800000000, 0.0000137200000000 ] - [ 0.0029780700000000, -0.0014423200000000, -0.0049713900000000 ] - [ 0.0027514900000000, 0.0003716500000000, 0.0000041000000000 ] - [ 0.0000357200000000, 0.0002392500000000, 0.0000085000000000 ] - [ -0.0005920200000000, 0.0001606400000000, -0.0004568500000000 ] - [ 0.0007499000000000, 0.0001092600000000, -0.0002276500000000 ] - [ 0.0000914000000000, -0.0000393100000000, -0.0007737400000000 ] - [ 0.0088866200000000, -0.0026435300000000, -0.0000107300000000 ] - [ -0.0027146100000000, 0.0004592100000000, -0.0014633500000000 ] - [ -0.0000119800000000, 0.0003277400000000, -0.0005325900000000 ] - [ 0.0005781900000000, 0.0003011000000000, 0.0000202600000000 ] - [ 0.0000811500000000, 0.0002336300000000, 0.0001602500000000 ] - [ -0.0003312600000000, -0.0013309600000000, -0.0003337000000000 ] - [ -0.0002401300000000, -0.0000117100000000, 0.0000435600000000 ] - [ 0.0007607200000000, -0.0002574100000000, 0.0000232300000000 ] - [ -0.0001948200000000, -0.0000123900000000, -0.0000458100000000 ] - [ 0.0007238300000000, -0.0002684800000000, -0.0000016900000000 ] - [ 0.0009172900000000, -0.0029761400000000, -0.0005046300000000 ] - [ -0.0061781100000000, 0.0067592800000000, -0.0016580600000000 ] - [ 0.0020605400000000, 0.0007865600000000, 0.0004600200000000 ] - [ 0.0000947900000000, 0.0002769300000000, -0.0001605100000000 ] - [ 0.0003277400000000, -0.0000000900000000, -0.0000217400000000 ] - [ -0.0017221200000000, -0.0006920000000000, -0.0003139900000000 ] - [ 0.0017161200000000, -0.0023861100000000, 0.0025430700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012523900000000, 0.0011191700000000, 0.0031994600000000 ] - [ 0.0005137000000000, -0.0005137000000000, 0.0005900100000000 ] - [ -0.0025477400000000, -0.0025477400000000, -0.0044244100000000 ] - [ 0.0080035000000000, -0.0080035000000000, 0.0033299000000000 ] - [ 0.0025477400000000, 0.0025477400000000, -0.0044244100000000 ] - [ -0.0012129600000000, -0.0021189800000000, -0.0019140800000000 ] - [ 0.0012523900000000, -0.0011191700000000, 0.0031994600000000 ] - [ -0.0021189800000000, -0.0012129600000000, -0.0019140800000000 ] - [ -0.0000700300000000, -0.0000700300000000, -0.0008247000000000 ] - [ 0.0021189800000000, 0.0012129600000000, -0.0019140800000000 ] - [ -0.0011191700000000, 0.0012523900000000, 0.0031994600000000 ] - [ 0.0012129600000000, 0.0021189800000000, -0.0019140800000000 ] - [ 0.0011191700000000, -0.0012523900000000, 0.0031994600000000 ] - [ -0.0080035000000000, 0.0080035000000000, 0.0033299000000000 ] - [ 0.0000700300000000, 0.0000700300000000, -0.0008247000000000 ] - [ -0.0005137000000000, 0.0005137000000000, 0.0005900100000000 ] - [ -0.0003687800000000, -0.0007096000000000, 0.0007809000000000 ] - [ -0.0007096000000000, -0.0003687800000000, 0.0007809000000000 ] - [ -0.0216353700000000, -0.0216353700000000, 0.0300385200000000 ] - [ -0.0006750900000000, -0.0007814200000000, -0.0021876100000000 ] - [ 0.0009919300000000, -0.0009919300000000, -0.0061075300000000 ] - [ 0.0007272000000000, -0.0007272000000000, -0.0009366700000000 ] - [ 0.0006750900000000, 0.0007814200000000, -0.0021876100000000 ] - [ 0.0216353700000000, 0.0216353700000000, 0.0300385200000000 ] - [ -0.0007272000000000, 0.0007272000000000, -0.0009366700000000 ] - [ -0.0009919300000000, 0.0009919300000000, -0.0061075300000000 ] - [ 0.0007814200000000, 0.0006750900000000, -0.0021876100000000 ] - [ 0.0002186700000000, 0.0002186700000000, 0.0008364100000000 ] - [ 0.0007096000000000, 0.0003687800000000, 0.0007809000000000 ] - [ 0.0003687800000000, 0.0007096000000000, 0.0007809000000000 ] - [ -0.0002186700000000, -0.0002186700000000, 0.0008364100000000 ] - [ -0.0007814200000000, -0.0006750900000000, -0.0021876100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0725233400000000 ] - [ 0.0053029800000000, 0.0010669200000000, -0.0061051900000000 ] - [ 0.0014122000000000, -0.0014122000000000, -0.0000070800000000 ] - [ 0.0020774400000000, 0.0007094100000000, 0.0007916800000000 ] - [ 0.0007094100000000, 0.0020774400000000, 0.0007916800000000 ] - [ -0.0020774400000000, -0.0007094100000000, 0.0007916800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0199997000000000 ] - [ -0.0012361900000000, 0.0012361900000000, -0.0025168900000000 ] - [ 0.0000890300000000, 0.0000609300000000, -0.0006130800000000 ] - [ 0.0010669200000000, 0.0053029800000000, -0.0061051900000000 ] - [ -0.0053029800000000, -0.0010669200000000, -0.0061051900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034254200000000 ] - [ -0.0002329800000000, 0.0001569800000000, -0.0000031700000000 ] - [ -0.0025504900000000, 0.0025504900000000, 0.0039350600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008116900000000 ] - [ -0.0001693400000000, -0.0001609100000000, 0.0007708400000000 ] - [ -0.0003515100000000, -0.0003515100000000, -0.0000054700000000 ] - [ -0.0001514100000000, 0.0002390800000000, -0.0002191600000000 ] - [ -0.0004431100000000, 0.0048707600000000, 0.0029865000000000 ] - [ 0.0001514100000000, -0.0002390800000000, -0.0002191600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004894900000000 ] - [ -0.0003182900000000, -0.0003182900000000, 0.0012408900000000 ] - [ 0.0001609100000000, 0.0001693400000000, 0.0007708400000000 ] - [ -0.0000859900000000, 0.0002565700000000, 0.0020761500000000 ] - [ 0.0001693400000000, 0.0001609100000000, 0.0007708400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002813900000000 ] - [ -0.0002390800000000, 0.0001514100000000, -0.0002191600000000 ] - [ 0.0004881200000000, 0.0004881200000000, 0.0002324400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008116900000000 ] - [ 0.0002565700000000, -0.0000859900000000, 0.0020761500000000 ] - [ 0.0003515100000000, 0.0003515100000000, -0.0000054700000000 ] - [ 0.0048707600000000, -0.0004431100000000, 0.0029865000000000 ] - [ 0.0002390800000000, -0.0001514100000000, -0.0002191600000000 ] - [ -0.0048707600000000, 0.0004431100000000, 0.0029865000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004894900000000 ] - [ 0.0003182900000000, 0.0003182900000000, 0.0012408900000000 ] - [ 0.0000859900000000, -0.0002565700000000, 0.0020761500000000 ] - [ -0.0001609100000000, -0.0001693400000000, 0.0007708400000000 ] - [ -0.0002565700000000, 0.0000859900000000, 0.0020761500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002813900000000 ] - [ 0.0004431100000000, -0.0048707600000000, 0.0029865000000000 ] - [ -0.0004881200000000, -0.0004881200000000, 0.0002324400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004349100000000 ] - [ -0.0000609300000000, -0.0000890300000000, -0.0006130800000000 ] - [ -0.0014122000000000, 0.0014122000000000, -0.0000070800000000 ] - [ -0.0001569800000000, 0.0002329800000000, -0.0000031700000000 ] - [ 0.0002329800000000, -0.0001569800000000, -0.0000031700000000 ] - [ 0.0001569800000000, -0.0002329800000000, -0.0000031700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001491600000000 ] - [ 0.0012361900000000, -0.0012361900000000, -0.0025168900000000 ] - [ -0.0010669200000000, -0.0053029800000000, -0.0061051900000000 ] - [ -0.0000890300000000, -0.0000609300000000, -0.0006130800000000 ] - [ 0.0000609300000000, 0.0000890300000000, -0.0006130800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002883700000000 ] - [ -0.0007094100000000, -0.0020774400000000, 0.0007916800000000 ] - [ 0.0025504900000000, -0.0025504900000000, 0.0039350600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0012594800000000, -0.0011161100000000, -0.0031605200000000 ] - [ -0.0005124500000000, 0.0005124500000000, -0.0006003800000000 ] - [ 0.0025767400000000, 0.0025767400000000, 0.0044266300000000 ] - [ -0.0077793900000000, 0.0077793900000000, -0.0036440700000000 ] - [ -0.0025767400000000, -0.0025767400000000, 0.0044266300000000 ] - [ 0.0012051900000000, 0.0021079800000000, 0.0019054900000000 ] - [ -0.0012594800000000, 0.0011161100000000, -0.0031605200000000 ] - [ 0.0021079800000000, 0.0012051900000000, 0.0019054900000000 ] - [ 0.0000628500000000, 0.0000628500000000, 0.0008198500000000 ] - [ -0.0021079800000000, -0.0012051900000000, 0.0019054900000000 ] - [ 0.0011161100000000, -0.0012594800000000, -0.0031605200000000 ] - [ -0.0012051900000000, -0.0021079800000000, 0.0019054900000000 ] - [ -0.0011161100000000, 0.0012594800000000, -0.0031605200000000 ] - [ 0.0077793900000000, -0.0077793900000000, -0.0036440700000000 ] - [ -0.0000628500000000, -0.0000628500000000, 0.0008198500000000 ] - [ 0.0005124500000000, -0.0005124500000000, -0.0006003800000000 ] - [ 0.0003454600000000, 0.0006988100000000, -0.0008222500000000 ] - [ 0.0006988100000000, 0.0003454600000000, -0.0008222500000000 ] - [ 0.0209215400000000, 0.0209215400000000, -0.0297487800000000 ] - [ 0.0006734000000000, 0.0007900200000000, 0.0021818200000000 ] - [ -0.0009672400000000, 0.0009672400000000, 0.0060804200000000 ] - [ -0.0007286100000000, 0.0007286100000000, 0.0009377900000000 ] - [ -0.0006734000000000, -0.0007900200000000, 0.0021818200000000 ] - [ -0.0209215400000000, -0.0209215400000000, -0.0297487800000000 ] - [ 0.0007286100000000, -0.0007286100000000, 0.0009377900000000 ] - [ 0.0009672400000000, -0.0009672400000000, 0.0060804200000000 ] - [ -0.0007900200000000, -0.0006734000000000, 0.0021818200000000 ] - [ -0.0002121200000000, -0.0002121200000000, -0.0008140200000000 ] - [ -0.0006988100000000, -0.0003454600000000, -0.0008222500000000 ] - [ -0.0003454600000000, -0.0006988100000000, -0.0008222500000000 ] - [ 0.0002121200000000, 0.0002121200000000, -0.0008140200000000 ] - [ 0.0007900200000000, 0.0006734000000000, 0.0021818200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0724436000000000 ] - [ -0.0052024500000000, -0.0010139100000000, 0.0061944100000000 ] - [ -0.0014052400000000, 0.0014052400000000, -0.0000160800000000 ] - [ -0.0020672100000000, -0.0007232700000000, -0.0007777900000000 ] - [ -0.0007232700000000, -0.0020672100000000, -0.0007777900000000 ] - [ 0.0020672100000000, 0.0007232700000000, -0.0007777900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0203239800000000 ] - [ 0.0012399800000000, -0.0012399800000000, 0.0025328300000000 ] - [ -0.0001083800000000, -0.0000538900000000, 0.0006062000000000 ] - [ -0.0010139100000000, -0.0052024500000000, 0.0061944100000000 ] - [ 0.0052024500000000, 0.0010139100000000, 0.0061944100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033973200000000 ] - [ 0.0002330200000000, -0.0001769800000000, 0.0000082100000000 ] - [ 0.0025669500000000, -0.0025669500000000, -0.0039367000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008374300000000 ] - [ 0.0001648000000000, 0.0001908600000000, -0.0007688000000000 ] - [ 0.0003545000000000, 0.0003545000000000, -0.0000082200000000 ] - [ 0.0001771500000000, -0.0002416200000000, 0.0002144300000000 ] - [ 0.0004291800000000, -0.0047771600000000, -0.0029532100000000 ] - [ -0.0001771500000000, 0.0002416200000000, 0.0002144300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004847500000000 ] - [ 0.0003211800000000, 0.0003211800000000, -0.0012392800000000 ] - [ -0.0001908600000000, -0.0001648000000000, -0.0007688000000000 ] - [ 0.0001099400000000, -0.0002541200000000, -0.0020704200000000 ] - [ -0.0001648000000000, -0.0001908600000000, -0.0007688000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003088200000000 ] - [ 0.0002416200000000, -0.0001771500000000, 0.0002144300000000 ] - [ -0.0004997500000000, -0.0004997500000000, -0.0002221000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008374300000000 ] - [ -0.0002541200000000, 0.0001099400000000, -0.0020704200000000 ] - [ -0.0003545000000000, -0.0003545000000000, -0.0000082200000000 ] - [ -0.0047771600000000, 0.0004291800000000, -0.0029532100000000 ] - [ -0.0002416200000000, 0.0001771500000000, 0.0002144300000000 ] - [ 0.0047771600000000, -0.0004291800000000, -0.0029532100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004847500000000 ] - [ -0.0003211800000000, -0.0003211800000000, -0.0012392800000000 ] - [ -0.0001099400000000, 0.0002541200000000, -0.0020704200000000 ] - [ 0.0001908600000000, 0.0001648000000000, -0.0007688000000000 ] - [ 0.0002541200000000, -0.0001099400000000, -0.0020704200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003088200000000 ] - [ -0.0004291800000000, 0.0047771600000000, -0.0029532100000000 ] - [ 0.0004997500000000, 0.0004997500000000, -0.0002221000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004089200000000 ] - [ 0.0000538900000000, 0.0001083800000000, 0.0006062000000000 ] - [ 0.0014052400000000, -0.0014052400000000, -0.0000160800000000 ] - [ 0.0001769800000000, -0.0002330200000000, 0.0000082100000000 ] - [ -0.0002330200000000, 0.0001769800000000, 0.0000082100000000 ] - [ -0.0001769800000000, 0.0002330200000000, 0.0000082100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001451000000000 ] - [ -0.0012399800000000, 0.0012399800000000, 0.0025328300000000 ] - [ 0.0010139100000000, 0.0052024500000000, 0.0061944100000000 ] - [ 0.0001083800000000, 0.0000538900000000, 0.0006062000000000 ] - [ -0.0000538900000000, -0.0001083800000000, 0.0006062000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002645000000000 ] - [ 0.0007232700000000, 0.0020672100000000, -0.0007777900000000 ] - [ -0.0025669500000000, 0.0025669500000000, -0.0039367000000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0019558900000000, 0.0012108600000000, -0.0012108600000000 ] - [ -0.0023206300000000, 0.0015803800000000, 0.0007933600000000 ] - [ 0.0119138300000000, -0.0011658300000000, -0.0011658300000000 ] - [ 0.0123399700000000, 0.0006096800000000, -0.0006096800000000 ] - [ 0.0123399700000000, -0.0006096800000000, 0.0006096800000000 ] - [ -0.0023206300000000, 0.0007933600000000, 0.0015803800000000 ] - [ 0.0019370900000000, 0.0012100600000000, 0.0012100600000000 ] - [ 0.0019558900000000, -0.0012108600000000, 0.0012108600000000 ] - [ -0.0023308900000000, -0.0015757000000000, 0.0007975900000000 ] - [ 0.0019370900000000, -0.0012100600000000, -0.0012100600000000 ] - [ -0.0023206300000000, -0.0007933600000000, -0.0015803800000000 ] - [ -0.0023308900000000, 0.0007975900000000, -0.0015757000000000 ] - [ -0.0023308900000000, -0.0007975900000000, 0.0015757000000000 ] - [ 0.0119138300000000, 0.0011658300000000, 0.0011658300000000 ] - [ -0.0023206300000000, -0.0015803800000000, -0.0007933600000000 ] - [ -0.0023308900000000, 0.0015757000000000, -0.0007975900000000 ] - [ 0.0022235700000000, -0.0011082700000000, 0.0008593700000000 ] - [ -0.0052561200000000, -0.0035550100000000, 0.0035550100000000 ] - [ 0.0022235700000000, -0.0008593700000000, 0.0011082700000000 ] - [ 0.0022594800000000, 0.0011104400000000, 0.0008513400000000 ] - [ 0.0022235700000000, 0.0008593700000000, -0.0011082700000000 ] - [ -0.0010237300000000, -0.0000404300000000, 0.0000404300000000 ] - [ 0.0022235700000000, 0.0011082700000000, -0.0008593700000000 ] - [ 0.0022594800000000, -0.0008513400000000, -0.0011104400000000 ] - [ -0.0010135400000000, -0.0000342200000000, -0.0000342200000000 ] - [ 0.0022594800000000, 0.0008513400000000, 0.0011104400000000 ] - [ -0.0052394400000000, 0.0035871100000000, 0.0035871100000000 ] - [ -0.0010237300000000, 0.0000404300000000, -0.0000404300000000 ] - [ -0.0052394400000000, -0.0035871100000000, -0.0035871100000000 ] - [ 0.0022594800000000, -0.0011104400000000, -0.0008513400000000 ] - [ -0.0010135400000000, 0.0000342200000000, 0.0000342200000000 ] - [ -0.0052561200000000, 0.0035550100000000, -0.0035550100000000 ] - [ -0.0055502200000000, 0.0005683700000000, -0.0000696000000000 ] - [ 0.0009234400000000, 0.0012540100000000, -0.0029717200000000 ] - [ 0.0000316000000000, -0.0002434400000000, 0.0003012900000000 ] - [ 0.0200595400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0055502200000000, 0.0000696000000000, -0.0005683700000000 ] - [ 0.0202686400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0866319100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0057701200000000, -0.0053576400000000, 0.0053576400000000 ] - [ 0.0012207100000000, -0.0000125200000000, 0.0000125200000000 ] - [ -0.0025120500000000, -0.0005006600000000, 0.0005006600000000 ] - [ 0.0009072600000000, 0.0012214300000000, 0.0029931100000000 ] - [ -0.0055502200000000, -0.0005683700000000, 0.0000696000000000 ] - [ 0.0027512400000000, -0.0000305100000000, 0.0006770300000000 ] - [ 0.0009072600000000, -0.0029931100000000, -0.0012214300000000 ] - [ -0.0003800400000000, 0.0003705200000000, -0.0000115400000000 ] - [ 0.0000339000000000, 0.0003356900000000, 0.0002410700000000 ] - [ 0.0009072600000000, 0.0029931100000000, 0.0012214300000000 ] - [ 0.0001645000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003800400000000, 0.0000115400000000, -0.0003705200000000 ] - [ 0.0001296300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0011123700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0057701200000000, 0.0053576400000000, -0.0053576400000000 ] - [ 0.0012207100000000, 0.0000125200000000, -0.0000125200000000 ] - [ -0.0025120500000000, 0.0005006600000000, -0.0005006600000000 ] - [ 0.0000316000000000, 0.0003012900000000, -0.0002434400000000 ] - [ -0.0003800400000000, -0.0003705200000000, 0.0000115400000000 ] - [ 0.0007232200000000, -0.0000146500000000, -0.0002714700000000 ] - [ 0.0000316000000000, 0.0002434400000000, -0.0003012900000000 ] - [ 0.0027512400000000, 0.0006770300000000, -0.0000305100000000 ] - [ 0.0009072600000000, -0.0012214300000000, -0.0029931100000000 ] - [ 0.0009234400000000, 0.0029717200000000, -0.0012540100000000 ] - [ -0.0004763600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007232200000000, 0.0000146500000000, 0.0002714700000000 ] - [ -0.0004969800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0014315700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0057531200000000, 0.0053492000000000, 0.0053492000000000 ] - [ -0.0025428900000000, 0.0005075700000000, 0.0005075700000000 ] - [ 0.0012559300000000, 0.0000054400000000, 0.0000054400000000 ] - [ 0.0009234400000000, -0.0012540100000000, 0.0029717200000000 ] - [ 0.0027512400000000, -0.0006770300000000, 0.0000305100000000 ] - [ -0.0003800400000000, -0.0000115400000000, 0.0003705200000000 ] - [ 0.0000339000000000, 0.0002410700000000, 0.0003356900000000 ] - [ 0.0007232200000000, -0.0002714700000000, -0.0000146500000000 ] - [ 0.0000316000000000, -0.0003012900000000, 0.0002434400000000 ] - [ 0.0000339000000000, -0.0002410700000000, -0.0003356900000000 ] - [ -0.0004763600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0027512400000000, 0.0000305100000000, -0.0006770300000000 ] - [ -0.0004969800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0014315700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0057531200000000, -0.0053492000000000, -0.0053492000000000 ] - [ -0.0025428900000000, -0.0005075700000000, -0.0005075700000000 ] - [ 0.0012559300000000, -0.0000054400000000, -0.0000054400000000 ] - [ 0.0000339000000000, -0.0003356900000000, -0.0002410700000000 ] - [ 0.0007232200000000, 0.0002714700000000, 0.0000146500000000 ] - [ -0.0055502200000000, -0.0000696000000000, 0.0005683700000000 ] - [ 0.0009234400000000, -0.0029717200000000, 0.0012540100000000 ]