# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ef8f385f-5281-4134-bd8a-4cf4f1e97cdd/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 Nd2Sn2O7 / Fd-3m (227) / materials id 17114](https://mdr.nims.go.jp/datasets/d315a48e-8488-4e62-958f-7ec2dc7f02cf) ## 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, 5.296061220000000, 5.296061220000000 ] # a - [ 5.296061220000000, 0.000000000000000, 5.296061220000000 ] # b - [ 5.296061220000000, 5.296061220000000, 0.000000000000000 ] # c points: - symbol: O # 1 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.459658120000000, 0.040341880000000, 0.040341880000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.209658120000000, 0.790341880000000, 0.790341880000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.040341880000000, 0.459658120000000, 0.040341880000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.040341880000000, 0.040341880000000, 0.459658120000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.459658120000000, 0.459658120000000, 0.040341880000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.459658120000000, 0.040341880000000, 0.459658120000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.040341880000000, 0.459658120000000, 0.459658120000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.790341880000000, 0.790341880000000, 0.209658120000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.209658120000000, 0.209658120000000, 0.790341880000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.790341880000000, 0.209658120000000, 0.209658120000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.790341880000000, 0.209658120000000, 0.790341880000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.209658120000000, 0.790341880000000, 0.209658120000000 ] mass: 15.999400 - symbol: Sn # 15 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 118.710000 - symbol: Sn # 16 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 118.710000 - symbol: Sn # 17 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 118.710000 - symbol: Sn # 18 coordinates: [ 0.125000000000000, 0.125000000000000, 0.125000000000000 ] mass: 118.710000 - symbol: Nd # 19 coordinates: [ 0.625000000000000, 0.125000000000000, 0.625000000000000 ] mass: 144.242000 - symbol: Nd # 20 coordinates: [ 0.125000000000000, 0.625000000000000, 0.625000000000000 ] mass: 144.242000 - symbol: Nd # 21 coordinates: [ 0.625000000000000, 0.625000000000000, 0.125000000000000 ] mass: 144.242000 - symbol: Nd # 22 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 144.242000 reciprocal_lattice: # without 2pi - [ -0.094409784787193, 0.094409784787193, 0.094409784787193 ] # a* - [ 0.094409784787193, -0.094409784787193, 0.094409784787193 ] # b* - [ 0.094409784787193, 0.094409784787193, -0.094409784787193 ] # c*unit_cell: lattice: - [ 10.592122440000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.592122440000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.592122440000001 ] # c points: - symbol: O # 1 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.040341880000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.790341880000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.750000000000000, 0.540341880000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.750000000000000, 0.250000000000000, 0.540341880000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.750000000000000, 0.250000000000000, 0.959658120000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.750000000000000, 0.459658120000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.459658120000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.500000000000000, 0.500000000000000, 0.790341880000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.500000000000000, 0.500000000000000, 0.209658120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.209658120000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.500000000000000, 0.290341880000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.500000000000000, 0.209658120000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 16 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 17 coordinates: [ 0.040341880000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 18 coordinates: [ 0.790341880000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 19 coordinates: [ 0.750000000000000, 0.040341880000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 20 coordinates: [ 0.750000000000000, 0.750000000000000, 0.040341880000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 21 coordinates: [ 0.750000000000000, 0.750000000000000, 0.459658120000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 22 coordinates: [ 0.750000000000000, 0.959658120000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 23 coordinates: [ 0.459658120000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 24 coordinates: [ 0.500000000000000, 0.000000000000000, 0.290341880000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 25 coordinates: [ 0.500000000000000, 0.000000000000000, 0.709658120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 26 coordinates: [ 0.209658120000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 27 coordinates: [ 0.500000000000000, 0.790341880000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 28 coordinates: [ 0.500000000000000, 0.709658120000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 29 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 30 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 31 coordinates: [ 0.540341880000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 32 coordinates: [ 0.290341880000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 33 coordinates: [ 0.250000000000000, 0.540341880000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 34 coordinates: [ 0.250000000000000, 0.250000000000000, 0.040341880000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 35 coordinates: [ 0.250000000000000, 0.250000000000000, 0.459658120000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 36 coordinates: [ 0.250000000000000, 0.459658120000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 37 coordinates: [ 0.959658120000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 38 coordinates: [ 0.000000000000000, 0.500000000000000, 0.290341880000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.709658120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 40 coordinates: [ 0.709658120000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 41 coordinates: [ 0.000000000000000, 0.290341880000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 42 coordinates: [ 0.000000000000000, 0.209658120000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 43 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 44 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 45 coordinates: [ 0.540341880000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 46 coordinates: [ 0.290341880000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 47 coordinates: [ 0.250000000000000, 0.040341880000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 48 coordinates: [ 0.250000000000000, 0.750000000000000, 0.540341880000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 49 coordinates: [ 0.250000000000000, 0.750000000000000, 0.959658120000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 50 coordinates: [ 0.250000000000000, 0.959658120000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 51 coordinates: [ 0.959658120000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 52 coordinates: [ 0.000000000000000, 0.000000000000000, 0.790341880000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 53 coordinates: [ 0.000000000000000, 0.000000000000000, 0.209658120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 54 coordinates: [ 0.709658120000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 55 coordinates: [ 0.000000000000000, 0.790341880000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 56 coordinates: [ 0.000000000000000, 0.709658120000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: Sn # 57 coordinates: [ 0.375000000000000, 0.625000000000000, 0.875000000000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 58 coordinates: [ 0.125000000000000, 0.375000000000000, 0.375000000000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 59 coordinates: [ 0.375000000000000, 0.375000000000000, 0.125000000000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 60 coordinates: [ 0.125000000000000, 0.125000000000000, 0.125000000000000 ] mass: 118.710000 reduced_to: 60 - symbol: Sn # 61 coordinates: [ 0.375000000000000, 0.125000000000000, 0.375000000000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 62 coordinates: [ 0.125000000000000, 0.875000000000000, 0.875000000000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 63 coordinates: [ 0.375000000000000, 0.875000000000000, 0.625000000000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 64 coordinates: [ 0.125000000000000, 0.625000000000000, 0.625000000000000 ] mass: 118.710000 reduced_to: 60 - symbol: Sn # 65 coordinates: [ 0.875000000000000, 0.625000000000000, 0.375000000000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 66 coordinates: [ 0.625000000000000, 0.375000000000000, 0.875000000000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 67 coordinates: [ 0.875000000000000, 0.375000000000000, 0.625000000000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 68 coordinates: [ 0.625000000000000, 0.125000000000000, 0.625000000000000 ] mass: 118.710000 reduced_to: 60 - symbol: Sn # 69 coordinates: [ 0.875000000000000, 0.125000000000000, 0.875000000000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 70 coordinates: [ 0.625000000000000, 0.875000000000000, 0.375000000000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 71 coordinates: [ 0.875000000000000, 0.875000000000000, 0.125000000000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 72 coordinates: [ 0.625000000000000, 0.625000000000000, 0.125000000000000 ] mass: 118.710000 reduced_to: 60 - symbol: Nd # 73 coordinates: [ 0.375000000000000, 0.125000000000000, 0.875000000000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 74 coordinates: [ 0.625000000000000, 0.375000000000000, 0.375000000000000 ] mass: 144.242000 reduced_to: 74 - symbol: Nd # 75 coordinates: [ 0.375000000000000, 0.375000000000000, 0.625000000000000 ] mass: 144.242000 reduced_to: 75 - symbol: Nd # 76 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 144.242000 reduced_to: 76 - symbol: Nd # 77 coordinates: [ 0.375000000000000, 0.625000000000000, 0.375000000000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 78 coordinates: [ 0.625000000000000, 0.875000000000000, 0.875000000000000 ] mass: 144.242000 reduced_to: 74 - symbol: Nd # 79 coordinates: [ 0.375000000000000, 0.875000000000000, 0.125000000000000 ] mass: 144.242000 reduced_to: 75 - symbol: Nd # 80 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 144.242000 reduced_to: 76 - symbol: Nd # 81 coordinates: [ 0.875000000000000, 0.125000000000000, 0.375000000000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 82 coordinates: [ 0.125000000000000, 0.375000000000000, 0.875000000000000 ] mass: 144.242000 reduced_to: 74 - symbol: Nd # 83 coordinates: [ 0.875000000000000, 0.375000000000000, 0.125000000000000 ] mass: 144.242000 reduced_to: 75 - symbol: Nd # 84 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 144.242000 reduced_to: 76 - symbol: Nd # 85 coordinates: [ 0.875000000000000, 0.625000000000000, 0.875000000000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 86 coordinates: [ 0.125000000000000, 0.875000000000000, 0.375000000000000 ] mass: 144.242000 reduced_to: 74 - symbol: Nd # 87 coordinates: [ 0.875000000000000, 0.875000000000000, 0.625000000000000 ] mass: 144.242000 reduced_to: 75 - symbol: Nd # 88 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 144.242000 reduced_to: 76supercell: lattice: - [ 10.592122440000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.592122440000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.592122440000001 ] # c points: - symbol: O # 1 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.040341880000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.790341880000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.750000000000000, 0.540341880000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.750000000000000, 0.250000000000000, 0.540341880000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.750000000000000, 0.250000000000000, 0.959658120000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.750000000000000, 0.459658120000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.459658120000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.500000000000000, 0.500000000000000, 0.790341880000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.500000000000000, 0.500000000000000, 0.209658120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.209658120000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.500000000000000, 0.290341880000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.500000000000000, 0.209658120000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 16 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 17 coordinates: [ 0.040341880000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 18 coordinates: [ 0.790341880000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 19 coordinates: [ 0.750000000000000, 0.040341880000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 20 coordinates: [ 0.750000000000000, 0.750000000000000, 0.040341880000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 21 coordinates: [ 0.750000000000000, 0.750000000000000, 0.459658120000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 22 coordinates: [ 0.750000000000000, 0.959658120000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 23 coordinates: [ 0.459658120000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 24 coordinates: [ 0.500000000000000, 0.000000000000000, 0.290341880000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 25 coordinates: [ 0.500000000000000, 0.000000000000000, 0.709658120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 26 coordinates: [ 0.209658120000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 27 coordinates: [ 0.500000000000000, 0.790341880000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 28 coordinates: [ 0.500000000000000, 0.709658120000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 29 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 30 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 31 coordinates: [ 0.540341880000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 32 coordinates: [ 0.290341880000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 33 coordinates: [ 0.250000000000000, 0.540341880000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 34 coordinates: [ 0.250000000000000, 0.250000000000000, 0.040341880000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 35 coordinates: [ 0.250000000000000, 0.250000000000000, 0.459658120000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 36 coordinates: [ 0.250000000000000, 0.459658120000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 37 coordinates: [ 0.959658120000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 38 coordinates: [ 0.000000000000000, 0.500000000000000, 0.290341880000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.709658120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 40 coordinates: [ 0.709658120000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 41 coordinates: [ 0.000000000000000, 0.290341880000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 42 coordinates: [ 0.000000000000000, 0.209658120000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 43 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 44 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 45 coordinates: [ 0.540341880000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 46 coordinates: [ 0.290341880000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 47 coordinates: [ 0.250000000000000, 0.040341880000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 48 coordinates: [ 0.250000000000000, 0.750000000000000, 0.540341880000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 49 coordinates: [ 0.250000000000000, 0.750000000000000, 0.959658120000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 50 coordinates: [ 0.250000000000000, 0.959658120000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 51 coordinates: [ 0.959658120000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 52 coordinates: [ 0.000000000000000, 0.000000000000000, 0.790341880000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 53 coordinates: [ 0.000000000000000, 0.000000000000000, 0.209658120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 54 coordinates: [ 0.709658120000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 55 coordinates: [ 0.000000000000000, 0.790341880000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 56 coordinates: [ 0.000000000000000, 0.709658120000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: Sn # 57 coordinates: [ 0.375000000000000, 0.625000000000000, 0.875000000000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 58 coordinates: [ 0.125000000000000, 0.375000000000000, 0.375000000000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 59 coordinates: [ 0.375000000000000, 0.375000000000000, 0.125000000000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 60 coordinates: [ 0.125000000000000, 0.125000000000000, 0.125000000000000 ] mass: 118.710000 reduced_to: 60 - symbol: Sn # 61 coordinates: [ 0.375000000000000, 0.125000000000000, 0.375000000000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 62 coordinates: [ 0.125000000000000, 0.875000000000000, 0.875000000000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 63 coordinates: [ 0.375000000000000, 0.875000000000000, 0.625000000000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 64 coordinates: [ 0.125000000000000, 0.625000000000000, 0.625000000000000 ] mass: 118.710000 reduced_to: 60 - symbol: Sn # 65 coordinates: [ 0.875000000000000, 0.625000000000000, 0.375000000000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 66 coordinates: [ 0.625000000000000, 0.375000000000000, 0.875000000000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 67 coordinates: [ 0.875000000000000, 0.375000000000000, 0.625000000000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 68 coordinates: [ 0.625000000000000, 0.125000000000000, 0.625000000000000 ] mass: 118.710000 reduced_to: 60 - symbol: Sn # 69 coordinates: [ 0.875000000000000, 0.125000000000000, 0.875000000000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 70 coordinates: [ 0.625000000000000, 0.875000000000000, 0.375000000000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 71 coordinates: [ 0.875000000000000, 0.875000000000000, 0.125000000000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 72 coordinates: [ 0.625000000000000, 0.625000000000000, 0.125000000000000 ] mass: 118.710000 reduced_to: 60 - symbol: Nd # 73 coordinates: [ 0.375000000000000, 0.125000000000000, 0.875000000000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 74 coordinates: [ 0.625000000000000, 0.375000000000000, 0.375000000000000 ] mass: 144.242000 reduced_to: 74 - symbol: Nd # 75 coordinates: [ 0.375000000000000, 0.375000000000000, 0.625000000000000 ] mass: 144.242000 reduced_to: 75 - symbol: Nd # 76 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 144.242000 reduced_to: 76 - symbol: Nd # 77 coordinates: [ 0.375000000000000, 0.625000000000000, 0.375000000000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 78 coordinates: [ 0.625000000000000, 0.875000000000000, 0.875000000000000 ] mass: 144.242000 reduced_to: 74 - symbol: Nd # 79 coordinates: [ 0.375000000000000, 0.875000000000000, 0.125000000000000 ] mass: 144.242000 reduced_to: 75 - symbol: Nd # 80 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 144.242000 reduced_to: 76 - symbol: Nd # 81 coordinates: [ 0.875000000000000, 0.125000000000000, 0.375000000000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 82 coordinates: [ 0.125000000000000, 0.375000000000000, 0.875000000000000 ] mass: 144.242000 reduced_to: 74 - symbol: Nd # 83 coordinates: [ 0.875000000000000, 0.375000000000000, 0.125000000000000 ] mass: 144.242000 reduced_to: 75 - symbol: Nd # 84 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 144.242000 reduced_to: 76 - symbol: Nd # 85 coordinates: [ 0.875000000000000, 0.625000000000000, 0.875000000000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 86 coordinates: [ 0.125000000000000, 0.875000000000000, 0.375000000000000 ] mass: 144.242000 reduced_to: 74 - symbol: Nd # 87 coordinates: [ 0.875000000000000, 0.875000000000000, 0.625000000000000 ] mass: 144.242000 reduced_to: 75 - symbol: Nd # 88 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 144.242000 reduced_to: 76displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1203830400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0086737300000000, -0.0079910100000000, -0.0079910100000000 ] - [ 0.0132208200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0033644400000000, -0.0005752300000000, -0.0005752300000000 ] - [ -0.0050465800000000, -0.0000303800000000, 0.0017883700000000 ] - [ -0.0050465800000000, 0.0017883700000000, -0.0000303800000000 ] - [ -0.0050465800000000, -0.0017883700000000, 0.0000303800000000 ] - [ -0.0007762900000000, -0.0000028600000000, -0.0004103600000000 ] - [ 0.0130398400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000676800000000, -0.0002996000000000, -0.0003521500000000 ] - [ 0.0013372500000000, -0.0031410900000000, 0.0017539800000000 ] - [ 0.0017472700000000, 0.0002519100000000, 0.0002519100000000 ] - [ 0.0013372500000000, -0.0017539800000000, 0.0031410900000000 ] - [ 0.0013372500000000, 0.0017539800000000, -0.0031410900000000 ] - [ -0.0020430500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0086737300000000, 0.0079910100000000, 0.0079910100000000 ] - [ 0.0003669200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0033644400000000, 0.0005752300000000, 0.0005752300000000 ] - [ -0.0007762900000000, 0.0000028600000000, 0.0004103600000000 ] - [ -0.0007762900000000, 0.0004103600000000, 0.0000028600000000 ] - [ -0.0007762900000000, -0.0004103600000000, -0.0000028600000000 ] - [ -0.0050465800000000, 0.0000303800000000, -0.0017883700000000 ] - [ 0.0003714800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0013372500000000, 0.0031410900000000, -0.0017539800000000 ] - [ -0.0000676800000000, 0.0002996000000000, 0.0003521500000000 ] - [ 0.0017472700000000, -0.0002519100000000, -0.0002519100000000 ] - [ -0.0000676800000000, -0.0003521500000000, -0.0002996000000000 ] - [ -0.0000676800000000, 0.0003521500000000, 0.0002996000000000 ] - [ 0.0025343100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0087015400000000, 0.0079984800000000, -0.0079984800000000 ] - [ -0.0006518900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0017467100000000, -0.0002487900000000, 0.0002487900000000 ] - [ 0.0010338700000000, -0.0000002600000000, -0.0003594500000000 ] - [ 0.0031066200000000, 0.0003288600000000, -0.0000100000000000 ] - [ 0.0031066200000000, -0.0003288600000000, 0.0000100000000000 ] - [ 0.0031066200000000, 0.0000100000000000, -0.0003288600000000 ] - [ -0.0006620900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0013262900000000, 0.0031542400000000, 0.0017552600000000 ] - [ -0.0000720700000000, 0.0003004500000000, -0.0003502200000000 ] - [ -0.0033692200000000, 0.0005688500000000, -0.0005688500000000 ] - [ 0.0013262900000000, 0.0017552600000000, 0.0031542400000000 ] - [ 0.0013262900000000, -0.0017552600000000, -0.0031542400000000 ] - [ 0.0025343100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0087015400000000, -0.0079984800000000, 0.0079984800000000 ] - [ -0.0006518900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0017467100000000, 0.0002487900000000, -0.0002487900000000 ] - [ 0.0031066200000000, -0.0000100000000000, 0.0003288600000000 ] - [ 0.0010338700000000, -0.0003594500000000, -0.0000002600000000 ] - [ 0.0010338700000000, 0.0003594500000000, 0.0000002600000000 ] - [ 0.0010338700000000, 0.0000002600000000, 0.0003594500000000 ] - [ -0.0006620900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000720700000000, -0.0003004500000000, 0.0003502200000000 ] - [ 0.0013262900000000, -0.0031542400000000, -0.0017552600000000 ] - [ -0.0033692200000000, -0.0005688500000000, 0.0005688500000000 ] - [ -0.0000720700000000, 0.0003502200000000, -0.0003004500000000 ] - [ -0.0000720700000000, -0.0003502200000000, 0.0003004500000000 ] - [ -0.0012897400000000, -0.0000700500000000, 0.0000700500000000 ] - [ -0.0061231200000000, -0.0033761700000000, -0.0033761700000000 ] - [ -0.0061330700000000, 0.0033447600000000, -0.0033447600000000 ] - [ -0.0061231200000000, 0.0033761700000000, 0.0033761700000000 ] - [ -0.0061330700000000, -0.0033447600000000, 0.0033447600000000 ] - [ -0.0012897200000000, -0.0000705400000000, -0.0000705400000000 ] - [ -0.0012897400000000, 0.0000700500000000, -0.0000700500000000 ] - [ -0.0012897200000000, 0.0000705400000000, 0.0000705400000000 ] - [ 0.0028231700000000, -0.0009618900000000, -0.0013201700000000 ] - [ 0.0028020500000000, 0.0013360200000000, -0.0009645400000000 ] - [ 0.0028231700000000, -0.0013201700000000, -0.0009618900000000 ] - [ 0.0028020500000000, -0.0013360200000000, 0.0009645400000000 ] - [ 0.0028231700000000, 0.0013201700000000, 0.0009618900000000 ] - [ 0.0028020500000000, -0.0009645400000000, 0.0013360200000000 ] - [ 0.0028231700000000, 0.0009618900000000, 0.0013201700000000 ] - [ 0.0028020500000000, 0.0009645400000000, -0.0013360200000000 ] - [ -0.0034126100000000, 0.0012123300000000, -0.0023579100000000 ] - [ 0.0209776800000000, -0.0111525700000000, -0.0111525700000000 ] - [ -0.0034126100000000, -0.0012123300000000, 0.0023579100000000 ] - [ 0.0209776800000000, 0.0111525700000000, 0.0111525700000000 ] - [ -0.0034126100000000, 0.0023579100000000, -0.0012123300000000 ] - [ 0.0027344200000000, -0.0019697800000000, -0.0019697800000000 ] - [ -0.0034126100000000, -0.0023579100000000, 0.0012123300000000 ] - [ 0.0027344200000000, 0.0019697800000000, 0.0019697800000000 ] - [ 0.0214421000000000, -0.0118938100000000, 0.0118938100000000 ] - [ -0.0034054400000000, 0.0012093200000000, 0.0023667600000000 ] - [ 0.0214421000000000, 0.0118938100000000, -0.0118938100000000 ] - [ -0.0034054400000000, -0.0012093200000000, -0.0023667600000000 ] - [ 0.0027418800000000, -0.0019690700000000, 0.0019690700000000 ] - [ -0.0034054400000000, 0.0023667600000000, 0.0012093200000000 ] - [ 0.0027418800000000, 0.0019690700000000, -0.0019690700000000 ] - [ -0.0034054400000000, -0.0023667600000000, -0.0012093200000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000117500000000, -0.0050464100000000, 0.0017878900000000 ] - [ 0.0002499300000000, -0.0000730800000000, 0.0003019800000000 ] - [ -0.0007582000000000, -0.1311950600000000, -0.0772002900000000 ] - [ -0.0015261500000000, -0.0001955600000000, 0.0013921800000000 ] - [ -0.0022800200000000, 0.0011052000000000, -0.0002139900000000 ] - [ -0.0002070700000000, -0.0019694400000000, -0.0007952500000000 ] - [ 0.0002108600000000, -0.0019756500000000, -0.0007993800000000 ] - [ -0.0000262900000000, -0.0002920600000000, -0.0000959900000000 ] - [ -0.0000024300000000, -0.0017757400000000, -0.0000007800000000 ] - [ -0.0001176900000000, 0.0000155500000000, -0.0002446500000000 ] - [ 0.0010396200000000, 0.0001611100000000, -0.0001946000000000 ] - [ 0.0012990100000000, 0.0009597500000000, 0.0018287300000000 ] - [ -0.0004158900000000, -0.0008163100000000, 0.0000645800000000 ] - [ 0.0004065000000000, -0.0008123800000000, 0.0000627900000000 ] - [ -0.0000018500000000, 0.0010343200000000, -0.0003596300000000 ] - [ -0.0002511100000000, -0.0000668500000000, 0.0002987400000000 ] - [ 0.0000003900000000, 0.0007697900000000, 0.0003099300000000 ] - [ 0.0015178100000000, -0.0001817500000000, 0.0013772200000000 ] - [ 0.0000255600000000, -0.0002888000000000, -0.0000960600000000 ] - [ 0.0002414500000000, 0.0012216000000000, -0.0000001700000000 ] - [ -0.0002462200000000, 0.0012225300000000, 0.0000059100000000 ] - [ 0.0022547600000000, 0.0011140800000000, -0.0002042800000000 ] - [ -0.0000003500000000, 0.0004357800000000, -0.0000004300000000 ] - [ -0.0010382000000000, 0.0001646600000000, -0.0001931600000000 ] - [ 0.0001161000000000, 0.0000190200000000, -0.0002426100000000 ] - [ -0.0013092900000000, 0.0009873300000000, 0.0018426700000000 ] - [ 0.0003814100000000, 0.0010729800000000, 0.0001183500000000 ] - [ -0.0003815100000000, 0.0010709900000000, 0.0001141500000000 ] - [ 0.0000002300000000, -0.0007762400000000, 0.0003288000000000 ] - [ 0.0005698300000000, 0.0013302900000000, -0.0031587600000000 ] - [ -0.0000010000000000, -0.0004507000000000, 0.0000711300000000 ] - [ 0.0003878400000000, -0.0001940600000000, -0.0013865000000000 ] - [ 0.0000263300000000, 0.0001242000000000, 0.0002442000000000 ] - [ -0.0014718300000000, -0.0040601200000000, 0.0004335600000000 ] - [ 0.0014405700000000, -0.0040622700000000, 0.0004019400000000 ] - [ 0.0079663900000000, 0.0051667400000000, -0.0014681600000000 ] - [ 0.0000031600000000, -0.0012517200000000, 0.0025053300000000 ] - [ -0.0083627700000000, 0.0248704900000000, 0.0056135300000000 ] - [ 0.0000632700000000, 0.0001562800000000, 0.0005067000000000 ] - [ -0.0025334500000000, 0.0018354100000000, -0.0022243000000000 ] - [ -0.0027430500000000, -0.0044830700000000, 0.0082634900000000 ] - [ 0.0027680900000000, -0.0044023300000000, 0.0083065100000000 ] - [ 0.0000040400000000, 0.0031069200000000, 0.0004102600000000 ] - [ -0.0005741600000000, 0.0013328800000000, -0.0031363800000000 ] - [ -0.0000017400000000, 0.0013972900000000, 0.0000703600000000 ] - [ -0.0003860700000000, -0.0001836400000000, -0.0013807100000000 ] - [ -0.0078783100000000, 0.0051335500000000, -0.0014450600000000 ] - [ -0.0000934900000000, 0.0012209500000000, -0.0002362900000000 ] - [ 0.0000990300000000, 0.0012232300000000, -0.0002416600000000 ] - [ -0.0000262700000000, 0.0001285200000000, 0.0002438300000000 ] - [ -0.0000002000000000, 0.0077298200000000, -0.0025066400000000 ] - [ -0.0000637900000000, 0.0001686900000000, 0.0005099100000000 ] - [ 0.0082096000000000, 0.0244046500000000, 0.0055361400000000 ] - [ 0.0025381600000000, 0.0018388000000000, -0.0022247200000000 ] - [ -0.0004074500000000, 0.0025624700000000, 0.0010274100000000 ] - [ 0.0004153800000000, 0.0025739700000000, 0.0010510000000000 ] - [ -0.0001856500000000, -0.0010055800000000, 0.0002785700000000 ] - [ 0.0168465500000000, 0.0382932200000000, 0.0242988800000000 ] - [ -0.0026715400000000, 0.0042459700000000, 0.0038613100000000 ] - [ -0.0158038000000000, 0.0371625200000000, 0.0227284200000000 ] - [ 0.0026846900000000, 0.0042115400000000, 0.0038404300000000 ] - [ 0.0003353000000000, -0.0015413600000000, -0.0011856800000000 ] - [ 0.0001875700000000, -0.0010137700000000, 0.0002772900000000 ] - [ -0.0003453900000000, -0.0015271000000000, -0.0011961300000000 ] - [ 0.0053409000000000, -0.0071762900000000, -0.0035370000000000 ] - [ 0.0007107500000000, 0.0015685200000000, 0.0007167000000000 ] - [ 0.0019155100000000, 0.0003631800000000, -0.0023299100000000 ] - [ -0.0007046800000000, 0.0015635900000000, 0.0007205900000000 ] - [ -0.0019477100000000, 0.0003388800000000, -0.0023360600000000 ] - [ -0.0009295300000000, -0.0026658700000000, 0.0003958600000000 ] - [ -0.0053047300000000, -0.0071676800000000, -0.0035125700000000 ] - [ 0.0009383500000000, -0.0026629600000000, 0.0004036300000000 ] - [ 0.0005747500000000, 0.0006453900000000, -0.0008338600000000 ] - [ 0.0005667700000000, 0.0017315500000000, -0.0004460100000000 ] - [ -0.0005655400000000, 0.0006616100000000, -0.0008265300000000 ] - [ -0.0005609300000000, 0.0017177100000000, -0.0004418300000000 ] - [ -0.0015697300000000, -0.0030499100000000, -0.0014489600000000 ] - [ -0.0002609700000000, -0.0010621300000000, -0.0003144000000000 ] - [ 0.0015643000000000, -0.0030530900000000, -0.0014408900000000 ] - [ 0.0002657700000000, -0.0010561000000000, -0.0003166500000000 ] - [ -0.0035095800000000, 0.0092200100000000, 0.0039963600000000 ] - [ -0.0003392300000000, 0.0029410100000000, 0.0005937100000000 ] - [ 0.0033145200000000, 0.0093949700000000, 0.0038767200000000 ] - [ 0.0003319000000000, 0.0029145600000000, 0.0005929100000000 ] - [ 0.0001558700000000, -0.0020462700000000, 0.0008573100000000 ] - [ 0.0014796200000000, -0.0064946400000000, 0.0034394200000000 ] - [ -0.0001508000000000, -0.0020540200000000, 0.0008471900000000 ] - [ -0.0015045300000000, -0.0065040600000000, 0.0034624000000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0130218600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0017444600000000, -0.0003474300000000, -0.0003474300000000 ] - [ -0.0813584900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001537300000000, -0.0003861200000000, -0.0003861200000000 ] - [ 0.0011143600000000, -0.0015861200000000, -0.0007909300000000 ] - [ 0.0011143600000000, -0.0007909300000000, -0.0015861200000000 ] - [ 0.0011143600000000, 0.0007909300000000, 0.0015861200000000 ] - [ 0.0001280900000000, -0.0002132200000000, 0.0002373200000000 ] - [ 0.0035794900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0010710800000000, 0.0002449900000000, 0.0003860500000000 ] - [ 0.0025660700000000, 0.0005094300000000, -0.0002120500000000 ] - [ -0.0004617000000000, 0.0012996300000000, 0.0012996300000000 ] - [ 0.0025660700000000, 0.0002120500000000, -0.0005094300000000 ] - [ 0.0025660700000000, -0.0002120500000000, 0.0005094300000000 ] - [ 0.0003701300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0017444600000000, 0.0003474300000000, 0.0003474300000000 ] - [ -0.0006111700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001537300000000, 0.0003861200000000, 0.0003861200000000 ] - [ 0.0001280900000000, 0.0002132200000000, -0.0002373200000000 ] - [ 0.0001280900000000, -0.0002373200000000, 0.0002132200000000 ] - [ 0.0001280900000000, 0.0002373200000000, -0.0002132200000000 ] - [ 0.0011143600000000, 0.0015861200000000, 0.0007909300000000 ] - [ 0.0003781700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0025660700000000, -0.0005094300000000, 0.0002120500000000 ] - [ 0.0010710800000000, -0.0002449900000000, -0.0003860500000000 ] - [ -0.0004617000000000, -0.0012996300000000, -0.0012996300000000 ] - [ 0.0010710800000000, 0.0003860500000000, 0.0002449900000000 ] - [ 0.0010710800000000, -0.0003860500000000, -0.0002449900000000 ] - [ -0.0006597100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0033561400000000, -0.0017509000000000, 0.0017509000000000 ] - [ 0.0011113500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001438900000000, 0.0015223700000000, -0.0015223700000000 ] - [ -0.0002926800000000, 0.0002134200000000, 0.0000025900000000 ] - [ 0.0051610500000000, 0.0004180100000000, -0.0088449300000000 ] - [ 0.0051610500000000, -0.0004180100000000, 0.0088449300000000 ] - [ 0.0051610500000000, 0.0088449300000000, -0.0004180100000000 ] - [ -0.0005202100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0043985000000000, -0.0056063200000000, -0.0012651600000000 ] - [ -0.0008156000000000, -0.0001970900000000, -0.0002156200000000 ] - [ 0.0041965900000000, -0.0025268600000000, 0.0025268600000000 ] - [ -0.0043985000000000, -0.0012651600000000, -0.0056063200000000 ] - [ -0.0043985000000000, 0.0012651600000000, 0.0056063200000000 ] - [ -0.0006597100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0033561400000000, 0.0017509000000000, -0.0017509000000000 ] - [ 0.0011113500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001438900000000, -0.0015223700000000, 0.0015223700000000 ] - [ 0.0051610500000000, -0.0088449300000000, 0.0004180100000000 ] - [ -0.0002926800000000, 0.0000025900000000, 0.0002134200000000 ] - [ -0.0002926800000000, -0.0000025900000000, -0.0002134200000000 ] - [ -0.0002926800000000, -0.0002134200000000, -0.0000025900000000 ] - [ -0.0005202100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008156000000000, 0.0001970900000000, 0.0002156200000000 ] - [ -0.0043985000000000, 0.0056063200000000, 0.0012651600000000 ] - [ 0.0041965900000000, 0.0025268600000000, -0.0025268600000000 ] - [ -0.0008156000000000, 0.0002156200000000, 0.0001970900000000 ] - [ -0.0008156000000000, -0.0002156200000000, -0.0001970900000000 ] - [ -0.0009313000000000, -0.0007410300000000, 0.0007410300000000 ] - [ 0.0294441100000000, 0.0145647800000000, 0.0145647800000000 ] - [ -0.0075861200000000, -0.0019804800000000, 0.0019804800000000 ] - [ 0.0294441100000000, -0.0145647800000000, -0.0145647800000000 ] - [ -0.0075861200000000, 0.0019804800000000, -0.0019804800000000 ] - [ 0.0013773500000000, 0.0005075100000000, 0.0005075100000000 ] - [ -0.0009313000000000, 0.0007410300000000, -0.0007410300000000 ] - [ 0.0013773500000000, -0.0005075100000000, -0.0005075100000000 ] - [ 0.0003251500000000, 0.0010051900000000, 0.0008544900000000 ] - [ -0.0026616600000000, -0.0008585700000000, -0.0010567100000000 ] - [ 0.0003251500000000, 0.0008544900000000, 0.0010051900000000 ] - [ -0.0026616600000000, 0.0008585700000000, 0.0010567100000000 ] - [ 0.0003251500000000, -0.0008544900000000, -0.0010051900000000 ] - [ -0.0026616600000000, -0.0010567100000000, -0.0008585700000000 ] - [ 0.0003251500000000, -0.0010051900000000, -0.0008544900000000 ] - [ -0.0026616600000000, 0.0010567100000000, 0.0008585700000000 ] - [ -0.0022106700000000, 0.0019725900000000, 0.0018748500000000 ] - [ -0.0050458400000000, 0.0021263600000000, 0.0021263600000000 ] - [ -0.0022106700000000, -0.0019725900000000, -0.0018748500000000 ] - [ -0.0050458400000000, -0.0021263600000000, -0.0021263600000000 ] - [ -0.0022106700000000, -0.0018748500000000, -0.0019725900000000 ] - [ -0.0011234900000000, 0.0000084600000000, 0.0000084600000000 ] - [ -0.0022106700000000, 0.0018748500000000, 0.0019725900000000 ] - [ -0.0011234900000000, -0.0000084600000000, -0.0000084600000000 ] - [ 0.0052557100000000, -0.0052055500000000, 0.0052055500000000 ] - [ 0.0040218600000000, -0.0013956900000000, 0.0013666400000000 ] - [ 0.0052557100000000, 0.0052055500000000, -0.0052055500000000 ] - [ 0.0040218600000000, 0.0013956900000000, -0.0013666400000000 ] - [ 0.0005502700000000, 0.0008226800000000, -0.0008226800000000 ] - [ 0.0040218600000000, 0.0013666400000000, -0.0013956900000000 ] - [ 0.0005502700000000, -0.0008226800000000, 0.0008226800000000 ] - [ 0.0040218600000000, -0.0013666400000000, 0.0013956900000000 ]- atom: 3 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0132394800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0017508000000000, 0.0003544700000000, 0.0003544700000000 ] - [ 0.0818407300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001393700000000, 0.0003870100000000, 0.0003870100000000 ] - [ -0.0011048600000000, 0.0016014100000000, 0.0008038000000000 ] - [ -0.0011048600000000, 0.0008038000000000, 0.0016014100000000 ] - [ -0.0011048600000000, -0.0008038000000000, -0.0016014100000000 ] - [ -0.0001245500000000, 0.0002133700000000, -0.0002405800000000 ] - [ -0.0035901000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0010736100000000, -0.0002429200000000, -0.0003878700000000 ] - [ -0.0025700300000000, -0.0005063000000000, 0.0002132700000000 ] - [ 0.0004479700000000, -0.0013083800000000, -0.0013083800000000 ] - [ -0.0025700300000000, -0.0002132700000000, 0.0005063000000000 ] - [ -0.0025700300000000, 0.0002132700000000, -0.0005063000000000 ] - [ -0.0003686200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0017508000000000, -0.0003544700000000, -0.0003544700000000 ] - [ 0.0006089700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001393700000000, -0.0003870100000000, -0.0003870100000000 ] - [ -0.0001245500000000, -0.0002133700000000, 0.0002405800000000 ] - [ -0.0001245500000000, 0.0002405800000000, -0.0002133700000000 ] - [ -0.0001245500000000, -0.0002405800000000, 0.0002133700000000 ] - [ -0.0011048600000000, -0.0016014100000000, -0.0008038000000000 ] - [ -0.0003819200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0025700300000000, 0.0005063000000000, -0.0002132700000000 ] - [ -0.0010736100000000, 0.0002429200000000, 0.0003878700000000 ] - [ 0.0004479700000000, 0.0013083800000000, 0.0013083800000000 ] - [ -0.0010736100000000, -0.0003878700000000, -0.0002429200000000 ] - [ -0.0010736100000000, 0.0003878700000000, 0.0002429200000000 ] - [ 0.0006540400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0033773700000000, 0.0017576500000000, -0.0017576500000000 ] - [ -0.0011128500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001500200000000, -0.0015217500000000, 0.0015217500000000 ] - [ 0.0002884100000000, -0.0002131100000000, -0.0000018500000000 ] - [ -0.0051412800000000, -0.0004176300000000, 0.0087691700000000 ] - [ -0.0051412800000000, 0.0004176300000000, -0.0087691700000000 ] - [ -0.0051412800000000, -0.0087691700000000, 0.0004176300000000 ] - [ 0.0005246300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0044885400000000, 0.0055409500000000, 0.0012505400000000 ] - [ 0.0008130600000000, 0.0001901400000000, 0.0002090300000000 ] - [ -0.0042281700000000, 0.0025447400000000, -0.0025447400000000 ] - [ 0.0044885400000000, 0.0012505400000000, 0.0055409500000000 ] - [ 0.0044885400000000, -0.0012505400000000, -0.0055409500000000 ] - [ 0.0006540400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0033773700000000, -0.0017576500000000, 0.0017576500000000 ] - [ -0.0011128500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001500200000000, 0.0015217500000000, -0.0015217500000000 ] - [ -0.0051412800000000, 0.0087691700000000, -0.0004176300000000 ] - [ 0.0002884100000000, -0.0000018500000000, -0.0002131100000000 ] - [ 0.0002884100000000, 0.0000018500000000, 0.0002131100000000 ] - [ 0.0002884100000000, 0.0002131100000000, 0.0000018500000000 ] - [ 0.0005246300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008130600000000, -0.0001901400000000, -0.0002090300000000 ] - [ 0.0044885400000000, -0.0055409500000000, -0.0012505400000000 ] - [ -0.0042281700000000, -0.0025447400000000, 0.0025447400000000 ] - [ 0.0008130600000000, -0.0002090300000000, -0.0001901400000000 ] - [ 0.0008130600000000, 0.0002090300000000, 0.0001901400000000 ] - [ 0.0009402400000000, 0.0007440400000000, -0.0007440400000000 ] - [ -0.0293815400000000, -0.0139817400000000, -0.0139817400000000 ] - [ 0.0075769800000000, 0.0019598100000000, -0.0019598100000000 ] - [ -0.0293815400000000, 0.0139817400000000, 0.0139817400000000 ] - [ 0.0075769800000000, -0.0019598100000000, 0.0019598100000000 ] - [ -0.0013717000000000, -0.0005087600000000, -0.0005087600000000 ] - [ 0.0009402400000000, -0.0007440400000000, 0.0007440400000000 ] - [ -0.0013717000000000, 0.0005087600000000, 0.0005087600000000 ] - [ -0.0003682400000000, -0.0009944900000000, -0.0008328600000000 ] - [ 0.0026646100000000, 0.0008643900000000, 0.0010661000000000 ] - [ -0.0003682400000000, -0.0008328600000000, -0.0009944900000000 ] - [ 0.0026646100000000, -0.0008643900000000, -0.0010661000000000 ] - [ -0.0003682400000000, 0.0008328600000000, 0.0009944900000000 ] - [ 0.0026646100000000, 0.0010661000000000, 0.0008643900000000 ] - [ -0.0003682400000000, 0.0009944900000000, 0.0008328600000000 ] - [ 0.0026646100000000, -0.0010661000000000, -0.0008643900000000 ] - [ 0.0022147300000000, -0.0019706800000000, -0.0018726700000000 ] - [ 0.0050664200000000, -0.0021588900000000, -0.0021588900000000 ] - [ 0.0022147300000000, 0.0019706800000000, 0.0018726700000000 ] - [ 0.0050664200000000, 0.0021588900000000, 0.0021588900000000 ] - [ 0.0022147300000000, 0.0018726700000000, 0.0019706800000000 ] - [ 0.0011181100000000, -0.0000094000000000, -0.0000094000000000 ] - [ 0.0022147300000000, -0.0018726700000000, -0.0019706800000000 ] - [ 0.0011181100000000, 0.0000094000000000, 0.0000094000000000 ] - [ -0.0056099500000000, 0.0049963900000000, -0.0049963900000000 ] - [ -0.0040045500000000, 0.0014057000000000, -0.0013716900000000 ] - [ -0.0056099500000000, -0.0049963900000000, 0.0049963900000000 ] - [ -0.0040045500000000, -0.0014057000000000, 0.0013716900000000 ] - [ -0.0005606200000000, -0.0008269800000000, 0.0008269800000000 ] - [ -0.0040045500000000, -0.0013716900000000, 0.0014057000000000 ] - [ -0.0005606200000000, 0.0008269800000000, -0.0008269800000000 ] - [ -0.0040045500000000, 0.0013716900000000, -0.0014057000000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012873000000000, -0.0000690700000000, 0.0000690700000000 ] - [ 0.0028178400000000, 0.0013303400000000, 0.0033603000000000 ] - [ -0.0009398900000000, -0.0001887500000000, 0.0001887500000000 ] - [ -0.0026616900000000, 0.0007092800000000, 0.0009341500000000 ] - [ -0.0015366800000000, 0.0005082000000000, -0.0011940900000000 ] - [ -0.0010065300000000, 0.0002792800000000, 0.0007429000000000 ] - [ -0.0015366800000000, 0.0011940900000000, -0.0005082000000000 ] - [ -0.0071637600000000, 0.0010069700000000, 0.0023364100000000 ] - [ 0.0013774200000000, 0.0003415800000000, -0.0003415800000000 ] - [ 0.0382765600000000, -0.0242458700000000, -0.0147814500000000 ] - [ 0.0042351000000000, 0.0038512300000000, -0.0019717700000000 ] - [ 0.0003439900000000, -0.0019303600000000, -0.0053296500000000 ] - [ 0.0042351000000000, 0.0019717700000000, -0.0038512300000000 ] - [ 0.0015682100000000, -0.0008612600000000, 0.0003989500000000 ] - [ -0.0061321100000000, -0.0009705100000000, 0.0009705100000000 ] - [ 0.0028178400000000, -0.0033603000000000, -0.0013303400000000 ] - [ -0.0075660200000000, 0.0026641600000000, -0.0026641600000000 ] - [ -0.0026616900000000, -0.0009341500000000, -0.0007092800000000 ] - [ -0.0026629800000000, -0.0010638100000000, 0.0007204400000000 ] - [ -0.0071637600000000, -0.0023364100000000, -0.0010069700000000 ] - [ -0.0026629800000000, -0.0007204400000000, 0.0010638100000000 ] - [ -0.0010065300000000, -0.0007429000000000, -0.0002792800000000 ] - [ 0.0294687700000000, 0.0165673800000000, -0.0165673800000000 ] - [ 0.0015682100000000, -0.0003989500000000, 0.0008612600000000 ] - [ 0.0003547200000000, -0.0035165700000000, 0.0008444700000000 ] - [ 0.0003439900000000, 0.0053296500000000, 0.0019303600000000 ] - [ 0.0003547200000000, -0.0008444700000000, 0.0035165700000000 ] - [ 0.0382765600000000, 0.0147814500000000, 0.0242458700000000 ] - [ 0.0028072500000000, -0.0033632800000000, -0.0013264900000000 ] - [ -0.0061250300000000, -0.0009546700000000, 0.0009546700000000 ] - [ 0.0003478300000000, 0.0053143100000000, 0.0019311800000000 ] - [ 0.0293555600000000, 0.0160734700000000, -0.0160734700000000 ] - [ 0.0371778300000000, 0.0137756900000000, 0.0227831000000000 ] - [ 0.0003463200000000, -0.0035336300000000, 0.0008424800000000 ] - [ 0.0015661600000000, -0.0004036400000000, 0.0008609100000000 ] - [ 0.0003463200000000, -0.0008424800000000, 0.0035336300000000 ] - [ -0.0026634800000000, -0.0009342500000000, -0.0007077300000000 ] - [ -0.0026687500000000, -0.0007152700000000, 0.0010582100000000 ] - [ -0.0071770900000000, -0.0023275200000000, -0.0009919800000000 ] - [ -0.0075967300000000, 0.0026898200000000, -0.0026898200000000 ] - [ -0.0010096000000000, -0.0007423300000000, -0.0002771600000000 ] - [ -0.0026687500000000, -0.0010582100000000, 0.0007152700000000 ] - [ 0.0028072500000000, 0.0013264900000000, 0.0033632800000000 ] - [ -0.0012931500000000, -0.0000738700000000, 0.0000738700000000 ] - [ 0.0003478300000000, -0.0019311800000000, -0.0053143100000000 ] - [ 0.0013738800000000, 0.0003400600000000, -0.0003400600000000 ] - [ 0.0015661600000000, -0.0008609100000000, 0.0004036400000000 ] - [ 0.0042229600000000, 0.0038511700000000, -0.0019686700000000 ] - [ 0.0371778300000000, -0.0227831000000000, -0.0137756900000000 ] - [ 0.0042229600000000, 0.0019686700000000, -0.0038511700000000 ] - [ -0.0026634800000000, 0.0007077300000000, 0.0009342500000000 ] - [ -0.0015369100000000, 0.0011851800000000, -0.0005087700000000 ] - [ -0.0010096000000000, 0.0002771600000000, 0.0007423300000000 ] - [ -0.0009321200000000, -0.0001903000000000, 0.0001903000000000 ] - [ -0.0071770900000000, 0.0009919800000000, 0.0023275200000000 ] - [ -0.0015369100000000, 0.0005087700000000, -0.0011851800000000 ] - [ -0.2430241900000000, -0.0231199700000000, 0.0231199700000000 ] - [ 0.0014573400000000, 0.0029237200000000, 0.0000513000000000 ] - [ -0.0118264300000000, 0.0048994600000000, -0.0048994600000000 ] - [ 0.0014573400000000, -0.0000513000000000, -0.0029237200000000 ] - [ -0.0020014000000000, -0.0000107200000000, 0.0000107200000000 ] - [ 0.0135671400000000, -0.0181905900000000, 0.0049080800000000 ] - [ -0.0117995000000000, 0.0048719100000000, -0.0048719100000000 ] - [ 0.0135671400000000, -0.0049080800000000, 0.0181905900000000 ] - [ 0.0046426300000000, -0.0000100600000000, -0.0005227900000000 ] - [ 0.0135939600000000, -0.0183171800000000, 0.0048638500000000 ] - [ 0.0062935700000000, 0.0000468700000000, -0.0000545800000000 ] - [ 0.0014418600000000, -0.0000503800000000, -0.0029195800000000 ] - [ 0.0046426300000000, 0.0005227900000000, 0.0000100600000000 ] - [ 0.0014418600000000, 0.0029195800000000, 0.0000503800000000 ] - [ 0.0062935700000000, 0.0000545800000000, -0.0000468700000000 ] - [ 0.0135939600000000, -0.0048638500000000, 0.0183171800000000 ] - [ -0.0067792300000000, 0.0002117800000000, 0.0005527400000000 ] - [ 0.0006772600000000, -0.0013998100000000, -0.0004486600000000 ] - [ -0.0171155200000000, 0.0011256200000000, -0.0010913700000000 ] - [ 0.0006772600000000, 0.0004486600000000, 0.0013998100000000 ] - [ -0.0067792300000000, -0.0005527400000000, -0.0002117800000000 ] - [ 0.0120495800000000, 0.0161875900000000, -0.0022681000000000 ] - [ -0.0171155200000000, 0.0010913700000000, -0.0011256200000000 ] - [ 0.0120495800000000, 0.0022681000000000, -0.0161875900000000 ] - [ 0.0021749100000000, 0.0001339800000000, -0.0001339800000000 ] - [ 0.0120269800000000, 0.0160671900000000, -0.0022729500000000 ] - [ 0.0055680100000000, -0.0003520600000000, 0.0003520600000000 ] - [ 0.0006858100000000, 0.0004510400000000, 0.0013981000000000 ] - [ 0.0126041800000000, 0.0004130800000000, -0.0004130800000000 ] - [ 0.0006858100000000, -0.0013981000000000, -0.0004510400000000 ] - [ 0.0055638000000000, -0.0003328800000000, 0.0003328800000000 ] - [ 0.0120269800000000, 0.0022729500000000, -0.0160671900000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0034080200000000, -0.0019704900000000, -0.0023670300000000 ] - [ 0.0027422400000000, 0.0012136400000000, -0.0012136400000000 ] - [ -0.0022191500000000, 0.0005702900000000, 0.0015675100000000 ] - [ -0.0011200000000000, -0.0002636200000000, 0.0002636200000000 ] - [ -0.0010568000000000, 0.0000084200000000, -0.0003167400000000 ] - [ -0.0030473100000000, -0.0008323600000000, 0.0018731200000000 ] - [ -0.0065052900000000, -0.0006086600000000, -0.0013757000000000 ] - [ -0.0030473100000000, -0.0018731200000000, 0.0008323600000000 ] - [ 0.0040168400000000, -0.0003358400000000, -0.0014902400000000 ] - [ 0.0029329400000000, -0.0034510700000000, 0.0013995700000000 ] - [ 0.0006556200000000, -0.0014434300000000, -0.0019689300000000 ] - [ 0.0005532100000000, 0.0001543200000000, -0.0001543200000000 ] - [ 0.0094207500000000, -0.0050035700000000, -0.0038674800000000 ] - [ 0.0029329400000000, -0.0013995700000000, 0.0034510700000000 ] - [ -0.0034080200000000, 0.0023670300000000, 0.0019704900000000 ] - [ 0.0214558000000000, -0.0118464100000000, 0.0118464100000000 ] - [ -0.0022191500000000, -0.0015675100000000, -0.0005702900000000 ] - [ -0.0050561900000000, 0.0005694700000000, -0.0005694700000000 ] - [ -0.0065052900000000, 0.0013757000000000, 0.0006086600000000 ] - [ -0.0020493800000000, 0.0008545700000000, -0.0008252900000000 ] - [ -0.0010568000000000, 0.0003167400000000, -0.0000084200000000 ] - [ -0.0020493800000000, 0.0008252900000000, -0.0008545700000000 ] - [ 0.0040168400000000, 0.0014902400000000, 0.0003358400000000 ] - [ 0.0017286000000000, 0.0004445600000000, -0.0021431100000000 ] - [ 0.0094207500000000, 0.0038674800000000, 0.0050035700000000 ] - [ 0.0052180900000000, -0.0035575900000000, 0.0035575900000000 ] - [ 0.0006556200000000, 0.0019689300000000, 0.0014434300000000 ] - [ 0.0017286000000000, 0.0021431100000000, -0.0004445600000000 ] - [ 0.0209684700000000, -0.0112010900000000, 0.0112010900000000 ] - [ -0.0034100000000000, 0.0023577800000000, 0.0019678300000000 ] - [ 0.0056516500000000, -0.0032637000000000, 0.0032637000000000 ] - [ 0.0040102000000000, 0.0014923900000000, 0.0003362600000000 ] - [ 0.0017211100000000, 0.0021420400000000, -0.0004427600000000 ] - [ 0.0091979900000000, 0.0040040300000000, 0.0051964700000000 ] - [ 0.0017211100000000, 0.0004427600000000, -0.0021420400000000 ] - [ 0.0006523600000000, 0.0019724800000000, 0.0014469200000000 ] - [ -0.0050545000000000, 0.0005577800000000, -0.0005577800000000 ] - [ -0.0010602400000000, 0.0003148300000000, -0.0000096500000000 ] - [ -0.0020511700000000, 0.0008492500000000, -0.0008232300000000 ] - [ -0.0022050300000000, -0.0015651000000000, -0.0005708100000000 ] - [ -0.0020511700000000, 0.0008232300000000, -0.0008492500000000 ] - [ -0.0064899900000000, 0.0013626400000000, 0.0005779000000000 ] - [ 0.0027365700000000, 0.0012082200000000, -0.0012082200000000 ] - [ -0.0034100000000000, -0.0019678300000000, -0.0023577800000000 ] - [ 0.0005583300000000, 0.0001533900000000, -0.0001533900000000 ] - [ 0.0040102000000000, -0.0003362600000000, -0.0014923900000000 ] - [ 0.0029241400000000, -0.0014010600000000, 0.0034475500000000 ] - [ 0.0006523600000000, -0.0014469200000000, -0.0019724800000000 ] - [ 0.0029241400000000, -0.0034475500000000, 0.0014010600000000 ] - [ 0.0091979900000000, -0.0051964700000000, -0.0040040300000000 ] - [ -0.0011226900000000, -0.0002621100000000, 0.0002621100000000 ] - [ -0.0064899900000000, -0.0005779000000000, -0.0013626400000000 ] - [ -0.0030557300000000, -0.0008298200000000, 0.0018730900000000 ] - [ -0.0022050300000000, 0.0005708100000000, 0.0015651000000000 ] - [ -0.0030557300000000, -0.0018730900000000, 0.0008298200000000 ] - [ -0.0010602400000000, 0.0000096500000000, -0.0003148300000000 ] - [ -0.0067761200000000, 0.0004140700000000, 0.0005505000000000 ] - [ 0.0006867100000000, -0.0013991500000000, -0.0003442700000000 ] - [ -0.0171145000000000, -0.0022870300000000, 0.0022567200000000 ] - [ 0.0120310400000000, -0.0011045500000000, -0.0160696800000000 ] - [ -0.0067761200000000, -0.0005505000000000, -0.0004140700000000 ] - [ 0.0120310400000000, 0.0160696800000000, 0.0011045500000000 ] - [ -0.0171145000000000, -0.0022567200000000, 0.0022870300000000 ] - [ 0.0006867100000000, 0.0003442700000000, 0.0013991500000000 ] - [ 0.0021744900000000, 0.0001318500000000, -0.0001318500000000 ] - [ 0.0120431200000000, 0.0161851100000000, 0.0011138800000000 ] - [ 0.0055654800000000, -0.0004425900000000, 0.0004425900000000 ] - [ 0.0120431200000000, -0.0011138800000000, -0.0161851100000000 ] - [ 0.0126020100000000, 0.0002112100000000, -0.0002112100000000 ] - [ 0.0006775800000000, -0.0013997600000000, -0.0003418500000000 ] - [ 0.0055697300000000, -0.0004546500000000, 0.0004546500000000 ] - [ 0.0006775800000000, 0.0003418500000000, 0.0013997600000000 ] - [ -0.1207774200000000, 0.0447476700000000, -0.0447476700000000 ] - [ -0.0000531400000000, 0.0015299800000000, 0.0002305700000000 ] - [ -0.0165588700000000, -0.0035506900000000, 0.0035506900000000 ] - [ 0.0145736300000000, 0.0035156800000000, 0.0192207200000000 ] - [ -0.0027374100000000, -0.0006060500000000, 0.0006060500000000 ] - [ 0.0145736300000000, -0.0192207200000000, -0.0035156800000000 ] - [ -0.0165599000000000, -0.0034887600000000, 0.0034887600000000 ] - [ -0.0000531400000000, -0.0002305700000000, -0.0015299800000000 ] - [ 0.0047192300000000, -0.0006058700000000, -0.0000831400000000 ] - [ 0.0145286800000000, -0.0190514900000000, -0.0035248300000000 ] - [ 0.0056195900000000, 0.0002391700000000, -0.0002202600000000 ] - [ 0.0145286800000000, 0.0035248300000000, 0.0190514900000000 ] - [ 0.0047192300000000, 0.0000831400000000, 0.0006058700000000 ] - [ -0.0000428100000000, 0.0015252500000000, 0.0002300000000000 ] - [ 0.0056195900000000, 0.0002202600000000, -0.0002391700000000 ] - [ -0.0000428100000000, -0.0002300000000000, -0.0015252500000000 ]