# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f63b21ba-eb0b-4382-8954-792fc1177031/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 Tm2Sn2O7 / Fd-3m (227) / materials id 3334](https://mdr.nims.go.jp/datasets/c7678a35-5e1c-41b4-b9ee-b9512695569f) ## 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, 5.147459630000000, 5.147459630000000 ] # a - [ 5.147459630000000, 0.000000000000000, 5.147459630000000 ] # b - [ 5.147459630000000, 5.147459630000000, 0.000000000000000 ] # c points: - symbol: O # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.717192850000000, 0.282807150000000, 0.717192850000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.967192850000000, 0.532807150000000, 0.967192850000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.717192850000000, 0.282807150000000, 0.282807150000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.282807150000000, 0.282807150000000, 0.717192850000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.717192850000000, 0.717192850000000, 0.282807150000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.282807150000000, 0.717192850000000, 0.717192850000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.282807150000000, 0.717192850000000, 0.282807150000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.532807150000000, 0.532807150000000, 0.967192850000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.967192850000000, 0.967192850000000, 0.532807150000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.532807150000000, 0.967192850000000, 0.532807150000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.967192850000000, 0.532807150000000, 0.532807150000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.532807150000000, 0.967192850000000, 0.967192850000000 ] mass: 15.999400 - symbol: Sn # 15 coordinates: [ 0.625000000000000, 0.625000000000000, 0.125000000000000 ] mass: 118.710000 - symbol: Sn # 16 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 118.710000 - symbol: Sn # 17 coordinates: [ 0.125000000000000, 0.625000000000000, 0.625000000000000 ] mass: 118.710000 - symbol: Sn # 18 coordinates: [ 0.625000000000000, 0.125000000000000, 0.625000000000000 ] mass: 118.710000 - symbol: Tm # 19 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 168.934210 - symbol: Tm # 20 coordinates: [ 0.125000000000000, 0.125000000000000, 0.125000000000000 ] mass: 168.934210 - symbol: Tm # 21 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 168.934210 - symbol: Tm # 22 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 168.934210 reciprocal_lattice: # without 2pi - [ -0.097135293123222, 0.097135293123222, 0.097135293123222 ] # a* - [ 0.097135293123222, -0.097135293123222, 0.097135293123222 ] # b* - [ 0.097135293123222, 0.097135293123222, -0.097135293123222 ] # c*unit_cell: lattice: - [ 10.294919260000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.294919260000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.294919260000000 ] # c points: - symbol: O # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.500000000000000, 0.717192850000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.750000000000000, 0.467192850000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.782807150000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.782807150000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.217192850000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.717192850000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.782807150000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.750000000000000, 0.750000000000000, 0.532807150000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.250000000000000, 0.250000000000000, 0.967192850000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.250000000000000, 0.532807150000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.032807150000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.967192850000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 16 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 17 coordinates: [ 0.500000000000000, 0.217192850000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 18 coordinates: [ 0.750000000000000, 0.967192850000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 19 coordinates: [ 0.782807150000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 20 coordinates: [ 0.500000000000000, 0.500000000000000, 0.282807150000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.717192850000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 22 coordinates: [ 0.717192850000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.282807150000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 24 coordinates: [ 0.750000000000000, 0.250000000000000, 0.032807150000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 25 coordinates: [ 0.250000000000000, 0.750000000000000, 0.467192850000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 26 coordinates: [ 0.250000000000000, 0.032807150000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 27 coordinates: [ 0.032807150000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 28 coordinates: [ 0.967192850000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 29 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 30 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 31 coordinates: [ 0.000000000000000, 0.717192850000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 32 coordinates: [ 0.250000000000000, 0.467192850000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 33 coordinates: [ 0.282807150000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.282807150000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 35 coordinates: [ 0.500000000000000, 0.500000000000000, 0.717192850000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 36 coordinates: [ 0.217192850000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 37 coordinates: [ 0.500000000000000, 0.782807150000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 38 coordinates: [ 0.250000000000000, 0.750000000000000, 0.032807150000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 39 coordinates: [ 0.750000000000000, 0.250000000000000, 0.467192850000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 40 coordinates: [ 0.750000000000000, 0.532807150000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 41 coordinates: [ 0.532807150000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 42 coordinates: [ 0.467192850000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 43 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 44 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 45 coordinates: [ 0.000000000000000, 0.217192850000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 46 coordinates: [ 0.250000000000000, 0.967192850000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 47 coordinates: [ 0.282807150000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 48 coordinates: [ 0.000000000000000, 0.500000000000000, 0.782807150000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 49 coordinates: [ 0.500000000000000, 0.000000000000000, 0.217192850000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 50 coordinates: [ 0.217192850000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 51 coordinates: [ 0.500000000000000, 0.282807150000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 52 coordinates: [ 0.250000000000000, 0.250000000000000, 0.532807150000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 53 coordinates: [ 0.750000000000000, 0.750000000000000, 0.967192850000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 54 coordinates: [ 0.750000000000000, 0.032807150000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 55 coordinates: [ 0.532807150000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 56 coordinates: [ 0.467192850000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: Sn # 57 coordinates: [ 0.875000000000000, 0.875000000000000, 0.625000000000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 58 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 59 coordinates: [ 0.625000000000000, 0.375000000000000, 0.375000000000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 60 coordinates: [ 0.375000000000000, 0.625000000000000, 0.375000000000000 ] mass: 118.710000 reduced_to: 60 - symbol: Sn # 61 coordinates: [ 0.875000000000000, 0.375000000000000, 0.125000000000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 62 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 63 coordinates: [ 0.625000000000000, 0.875000000000000, 0.875000000000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 64 coordinates: [ 0.375000000000000, 0.125000000000000, 0.875000000000000 ] mass: 118.710000 reduced_to: 60 - symbol: Sn # 65 coordinates: [ 0.375000000000000, 0.875000000000000, 0.125000000000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 66 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 67 coordinates: [ 0.125000000000000, 0.375000000000000, 0.875000000000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 68 coordinates: [ 0.875000000000000, 0.625000000000000, 0.875000000000000 ] mass: 118.710000 reduced_to: 60 - symbol: Sn # 69 coordinates: [ 0.375000000000000, 0.375000000000000, 0.625000000000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 70 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 71 coordinates: [ 0.125000000000000, 0.875000000000000, 0.375000000000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 72 coordinates: [ 0.875000000000000, 0.125000000000000, 0.375000000000000 ] mass: 118.710000 reduced_to: 60 - symbol: Tm # 73 coordinates: [ 0.375000000000000, 0.875000000000000, 0.625000000000000 ] mass: 168.934210 reduced_to: 73 - symbol: Tm # 74 coordinates: [ 0.625000000000000, 0.125000000000000, 0.625000000000000 ] mass: 168.934210 reduced_to: 74 - symbol: Tm # 75 coordinates: [ 0.625000000000000, 0.875000000000000, 0.375000000000000 ] mass: 168.934210 reduced_to: 75 - symbol: Tm # 76 coordinates: [ 0.875000000000000, 0.625000000000000, 0.375000000000000 ] mass: 168.934210 reduced_to: 76 - symbol: Tm # 77 coordinates: [ 0.375000000000000, 0.375000000000000, 0.125000000000000 ] mass: 168.934210 reduced_to: 73 - symbol: Tm # 78 coordinates: [ 0.625000000000000, 0.625000000000000, 0.125000000000000 ] mass: 168.934210 reduced_to: 74 - symbol: Tm # 79 coordinates: [ 0.625000000000000, 0.375000000000000, 0.875000000000000 ] mass: 168.934210 reduced_to: 75 - symbol: Tm # 80 coordinates: [ 0.875000000000000, 0.125000000000000, 0.875000000000000 ] mass: 168.934210 reduced_to: 76 - symbol: Tm # 81 coordinates: [ 0.875000000000000, 0.875000000000000, 0.125000000000000 ] mass: 168.934210 reduced_to: 73 - symbol: Tm # 82 coordinates: [ 0.125000000000000, 0.125000000000000, 0.125000000000000 ] mass: 168.934210 reduced_to: 74 - symbol: Tm # 83 coordinates: [ 0.125000000000000, 0.875000000000000, 0.875000000000000 ] mass: 168.934210 reduced_to: 75 - symbol: Tm # 84 coordinates: [ 0.375000000000000, 0.625000000000000, 0.875000000000000 ] mass: 168.934210 reduced_to: 76 - symbol: Tm # 85 coordinates: [ 0.875000000000000, 0.375000000000000, 0.625000000000000 ] mass: 168.934210 reduced_to: 73 - symbol: Tm # 86 coordinates: [ 0.125000000000000, 0.625000000000000, 0.625000000000000 ] mass: 168.934210 reduced_to: 74 - symbol: Tm # 87 coordinates: [ 0.125000000000000, 0.375000000000000, 0.375000000000000 ] mass: 168.934210 reduced_to: 75 - symbol: Tm # 88 coordinates: [ 0.375000000000000, 0.125000000000000, 0.375000000000000 ] mass: 168.934210 reduced_to: 76supercell: lattice: - [ 10.294919260000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.294919260000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.294919260000000 ] # c points: - symbol: O # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.500000000000000, 0.717192850000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.750000000000000, 0.467192850000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.782807150000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.782807150000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.217192850000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.717192850000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.782807150000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.750000000000000, 0.750000000000000, 0.532807150000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.250000000000000, 0.250000000000000, 0.967192850000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.250000000000000, 0.532807150000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.032807150000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.967192850000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 16 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 17 coordinates: [ 0.500000000000000, 0.217192850000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 18 coordinates: [ 0.750000000000000, 0.967192850000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 19 coordinates: [ 0.782807150000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 20 coordinates: [ 0.500000000000000, 0.500000000000000, 0.282807150000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.717192850000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 22 coordinates: [ 0.717192850000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.282807150000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 24 coordinates: [ 0.750000000000000, 0.250000000000000, 0.032807150000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 25 coordinates: [ 0.250000000000000, 0.750000000000000, 0.467192850000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 26 coordinates: [ 0.250000000000000, 0.032807150000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 27 coordinates: [ 0.032807150000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 28 coordinates: [ 0.967192850000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 29 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 30 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 31 coordinates: [ 0.000000000000000, 0.717192850000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 32 coordinates: [ 0.250000000000000, 0.467192850000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 33 coordinates: [ 0.282807150000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.282807150000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 35 coordinates: [ 0.500000000000000, 0.500000000000000, 0.717192850000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 36 coordinates: [ 0.217192850000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 37 coordinates: [ 0.500000000000000, 0.782807150000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 38 coordinates: [ 0.250000000000000, 0.750000000000000, 0.032807150000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 39 coordinates: [ 0.750000000000000, 0.250000000000000, 0.467192850000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 40 coordinates: [ 0.750000000000000, 0.532807150000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 41 coordinates: [ 0.532807150000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 42 coordinates: [ 0.467192850000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 43 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 44 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 45 coordinates: [ 0.000000000000000, 0.217192850000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 46 coordinates: [ 0.250000000000000, 0.967192850000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 47 coordinates: [ 0.282807150000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 48 coordinates: [ 0.000000000000000, 0.500000000000000, 0.782807150000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 49 coordinates: [ 0.500000000000000, 0.000000000000000, 0.217192850000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 50 coordinates: [ 0.217192850000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 51 coordinates: [ 0.500000000000000, 0.282807150000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 52 coordinates: [ 0.250000000000000, 0.250000000000000, 0.532807150000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 53 coordinates: [ 0.750000000000000, 0.750000000000000, 0.967192850000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 54 coordinates: [ 0.750000000000000, 0.032807150000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 55 coordinates: [ 0.532807150000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 56 coordinates: [ 0.467192850000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: Sn # 57 coordinates: [ 0.875000000000000, 0.875000000000000, 0.625000000000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 58 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 59 coordinates: [ 0.625000000000000, 0.375000000000000, 0.375000000000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 60 coordinates: [ 0.375000000000000, 0.625000000000000, 0.375000000000000 ] mass: 118.710000 reduced_to: 60 - symbol: Sn # 61 coordinates: [ 0.875000000000000, 0.375000000000000, 0.125000000000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 62 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 63 coordinates: [ 0.625000000000000, 0.875000000000000, 0.875000000000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 64 coordinates: [ 0.375000000000000, 0.125000000000000, 0.875000000000000 ] mass: 118.710000 reduced_to: 60 - symbol: Sn # 65 coordinates: [ 0.375000000000000, 0.875000000000000, 0.125000000000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 66 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 67 coordinates: [ 0.125000000000000, 0.375000000000000, 0.875000000000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 68 coordinates: [ 0.875000000000000, 0.625000000000000, 0.875000000000000 ] mass: 118.710000 reduced_to: 60 - symbol: Sn # 69 coordinates: [ 0.375000000000000, 0.375000000000000, 0.625000000000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 70 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 71 coordinates: [ 0.125000000000000, 0.875000000000000, 0.375000000000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 72 coordinates: [ 0.875000000000000, 0.125000000000000, 0.375000000000000 ] mass: 118.710000 reduced_to: 60 - symbol: Tm # 73 coordinates: [ 0.375000000000000, 0.875000000000000, 0.625000000000000 ] mass: 168.934210 reduced_to: 73 - symbol: Tm # 74 coordinates: [ 0.625000000000000, 0.125000000000000, 0.625000000000000 ] mass: 168.934210 reduced_to: 74 - symbol: Tm # 75 coordinates: [ 0.625000000000000, 0.875000000000000, 0.375000000000000 ] mass: 168.934210 reduced_to: 75 - symbol: Tm # 76 coordinates: [ 0.875000000000000, 0.625000000000000, 0.375000000000000 ] mass: 168.934210 reduced_to: 76 - symbol: Tm # 77 coordinates: [ 0.375000000000000, 0.375000000000000, 0.125000000000000 ] mass: 168.934210 reduced_to: 73 - symbol: Tm # 78 coordinates: [ 0.625000000000000, 0.625000000000000, 0.125000000000000 ] mass: 168.934210 reduced_to: 74 - symbol: Tm # 79 coordinates: [ 0.625000000000000, 0.375000000000000, 0.875000000000000 ] mass: 168.934210 reduced_to: 75 - symbol: Tm # 80 coordinates: [ 0.875000000000000, 0.125000000000000, 0.875000000000000 ] mass: 168.934210 reduced_to: 76 - symbol: Tm # 81 coordinates: [ 0.875000000000000, 0.875000000000000, 0.125000000000000 ] mass: 168.934210 reduced_to: 73 - symbol: Tm # 82 coordinates: [ 0.125000000000000, 0.125000000000000, 0.125000000000000 ] mass: 168.934210 reduced_to: 74 - symbol: Tm # 83 coordinates: [ 0.125000000000000, 0.875000000000000, 0.875000000000000 ] mass: 168.934210 reduced_to: 75 - symbol: Tm # 84 coordinates: [ 0.375000000000000, 0.625000000000000, 0.875000000000000 ] mass: 168.934210 reduced_to: 76 - symbol: Tm # 85 coordinates: [ 0.875000000000000, 0.375000000000000, 0.625000000000000 ] mass: 168.934210 reduced_to: 73 - symbol: Tm # 86 coordinates: [ 0.125000000000000, 0.625000000000000, 0.625000000000000 ] mass: 168.934210 reduced_to: 74 - symbol: Tm # 87 coordinates: [ 0.125000000000000, 0.375000000000000, 0.375000000000000 ] mass: 168.934210 reduced_to: 75 - symbol: Tm # 88 coordinates: [ 0.375000000000000, 0.125000000000000, 0.375000000000000 ] mass: 168.934210 reduced_to: 76displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1097682600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0068550100000000, -0.0064548100000000, 0.0064548100000000 ] - [ 0.0033586200000000, 0.0000318600000000, 0.0004183600000000 ] - [ 0.0013113500000000, 0.0015210500000000, 0.0033836000000000 ] - [ -0.0006669200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0009526900000000, 0.0002932500000000, -0.0000183300000000 ] - [ -0.0054660600000000, 0.0009822400000000, 0.0000669200000000 ] - [ 0.0188010600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0054660600000000, -0.0000669200000000, -0.0009822400000000 ] - [ 0.0013113500000000, -0.0033836000000000, -0.0015210500000000 ] - [ -0.0000515200000000, -0.0002931300000000, -0.0003365800000000 ] - [ 0.0013000000000000, 0.0014858700000000, -0.0034006000000000 ] - [ -0.0031186700000000, -0.0004378000000000, 0.0004378000000000 ] - [ -0.0030854400000000, -0.0004325800000000, -0.0004325800000000 ] - [ -0.0014968200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0068550100000000, 0.0064548100000000, -0.0064548100000000 ] - [ 0.0009526900000000, 0.0000183300000000, -0.0002932500000000 ] - [ -0.0000461300000000, 0.0003753700000000, -0.0002927500000000 ] - [ -0.0006669200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0033586200000000, -0.0004183600000000, -0.0000318600000000 ] - [ -0.0007097700000000, 0.0003275200000000, 0.0000140500000000 ] - [ 0.0002855300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007097700000000, -0.0000140500000000, -0.0003275200000000 ] - [ -0.0000461300000000, 0.0002927500000000, -0.0003753700000000 ] - [ 0.0013000000000000, 0.0034006000000000, -0.0014858700000000 ] - [ -0.0000515200000000, 0.0003365800000000, 0.0002931300000000 ] - [ -0.0031186700000000, 0.0004378000000000, -0.0004378000000000 ] - [ -0.0030854400000000, 0.0004325800000000, 0.0004325800000000 ] - [ 0.0019684100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0068805600000000, 0.0064643100000000, 0.0064643100000000 ] - [ -0.0007097700000000, 0.0000140500000000, 0.0003275200000000 ] - [ 0.0013000000000000, -0.0014858700000000, 0.0034006000000000 ] - [ 0.0002451300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007097700000000, -0.0003275200000000, -0.0000140500000000 ] - [ 0.0033586200000000, 0.0004183600000000, 0.0000318600000000 ] - [ -0.0006462500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0009526900000000, -0.0000183300000000, 0.0002932500000000 ] - [ -0.0000515200000000, 0.0002931300000000, 0.0003365800000000 ] - [ 0.0013113500000000, 0.0033836000000000, 0.0015210500000000 ] - [ 0.0013113500000000, -0.0015210500000000, -0.0033836000000000 ] - [ 0.0017505900000000, -0.0002207400000000, -0.0002207400000000 ] - [ 0.0017869800000000, -0.0002249700000000, 0.0002249700000000 ] - [ 0.0019684100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0068805600000000, -0.0064643100000000, -0.0064643100000000 ] - [ -0.0054660600000000, 0.0000669200000000, 0.0009822400000000 ] - [ -0.0000515200000000, -0.0003365800000000, -0.0002931300000000 ] - [ 0.0190233500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0054660600000000, -0.0009822400000000, -0.0000669200000000 ] - [ 0.0009526900000000, -0.0002932500000000, 0.0000183300000000 ] - [ -0.0006462500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0033586200000000, -0.0000318600000000, -0.0004183600000000 ] - [ 0.0013000000000000, -0.0034006000000000, 0.0014858700000000 ] - [ -0.0000461300000000, -0.0002927500000000, 0.0003753700000000 ] - [ -0.0000461300000000, -0.0003753700000000, 0.0002927500000000 ] - [ 0.0017505900000000, 0.0002207400000000, 0.0002207400000000 ] - [ 0.0017869800000000, 0.0002249700000000, -0.0002249700000000 ] - [ 0.0027645300000000, 0.0012723900000000, 0.0012068100000000 ] - [ -0.0065963300000000, 0.0040644800000000, 0.0040644800000000 ] - [ -0.0065963300000000, -0.0040644800000000, -0.0040644800000000 ] - [ -0.0065859600000000, -0.0040990300000000, 0.0040990300000000 ] - [ 0.0027645300000000, -0.0012068100000000, -0.0012723900000000 ] - [ -0.0012613200000000, -0.0000004300000000, -0.0000004300000000 ] - [ -0.0012613200000000, 0.0000004300000000, 0.0000004300000000 ] - [ -0.0012544400000000, 0.0000038700000000, -0.0000038700000000 ] - [ -0.0012544400000000, -0.0000038700000000, 0.0000038700000000 ] - [ 0.0027983100000000, -0.0011922600000000, 0.0012717600000000 ] - [ 0.0027983100000000, 0.0011922600000000, -0.0012717600000000 ] - [ 0.0027645300000000, 0.0012068100000000, 0.0012723900000000 ] - [ -0.0065859600000000, 0.0040990300000000, -0.0040990300000000 ] - [ 0.0027983100000000, 0.0012717600000000, -0.0011922600000000 ] - [ 0.0027983100000000, -0.0012717600000000, 0.0011922600000000 ] - [ 0.0027645300000000, -0.0012723900000000, -0.0012068100000000 ] - [ -0.0030841000000000, -0.0020114100000000, 0.0008467800000000 ] - [ -0.0030912700000000, -0.0019991700000000, -0.0008496100000000 ] - [ -0.0030912700000000, 0.0019991700000000, 0.0008496100000000 ] - [ 0.0174792600000000, -0.0035478500000000, 0.0035478500000000 ] - [ -0.0030841000000000, -0.0008467800000000, 0.0020114100000000 ] - [ -0.0030912700000000, -0.0008496100000000, -0.0019991700000000 ] - [ -0.0030912700000000, 0.0008496100000000, 0.0019991700000000 ] - [ 0.0024484200000000, -0.0015506200000000, 0.0015506200000000 ] - [ 0.0024484200000000, 0.0015506200000000, -0.0015506200000000 ] - [ 0.0024625400000000, 0.0015526700000000, 0.0015526700000000 ] - [ 0.0024625400000000, -0.0015526700000000, -0.0015526700000000 ] - [ -0.0030841000000000, 0.0008467800000000, -0.0020114100000000 ] - [ 0.0174792600000000, 0.0035478500000000, -0.0035478500000000 ] - [ 0.0179652400000000, 0.0042342800000000, 0.0042342800000000 ] - [ 0.0179652400000000, -0.0042342800000000, -0.0042342800000000 ] - [ -0.0030841000000000, 0.0020114100000000, -0.0008467800000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0033565800000000, -0.0000044600000000, 0.0003283200000000 ] - [ 0.0013050700000000, -0.0004341700000000, -0.0034038400000000 ] - [ -0.1516841400000000, 0.0009228500000000, -0.0923051500000000 ] - [ -0.0002315300000000, -0.0004320700000000, -0.0014398600000000 ] - [ 0.0010221200000000, 0.0026536800000000, -0.0002322500000000 ] - [ -0.0018646900000000, 0.0002226600000000, -0.0007771700000000 ] - [ 0.0012584200000000, -0.0000508500000000, -0.0002091100000000 ] - [ 0.0047797000000000, -0.0072605900000000, -0.0012617600000000 ] - [ 0.0092905900000000, -0.0000271000000000, -0.0026502100000000 ] - [ 0.0320348600000000, 0.0085806700000000, 0.0067928200000000 ] - [ 0.0000099400000000, -0.0001010700000000, -0.0002060300000000 ] - [ 0.0009877300000000, 0.0014582200000000, 0.0019597400000000 ] - [ 0.0026880800000000, 0.0003467200000000, 0.0010130700000000 ] - [ 0.0010510500000000, 0.0003073000000000, 0.0001034800000000 ] - [ 0.0009525100000000, 0.0000017500000000, -0.0002934800000000 ] - [ -0.0000523700000000, -0.0002212300000000, 0.0002941100000000 ] - [ -0.0004542500000000, 0.0000257000000000, 0.0000646600000000 ] - [ -0.0002348700000000, 0.0015921300000000, 0.0014445200000000 ] - [ 0.0000915900000000, -0.0000361900000000, 0.0002544800000000 ] - [ -0.0037191100000000, 0.0012721200000000, 0.0002746500000000 ] - [ 0.0012569200000000, 0.0002568800000000, 0.0000158700000000 ] - [ -0.0002491900000000, 0.0000355100000000, -0.0000496500000000 ] - [ 0.0004421400000000, -0.0000234200000000, -0.0000020200000000 ] - [ 0.0000058700000000, 0.0001035900000000, -0.0002557700000000 ] - [ 0.0313948900000000, -0.0084171400000000, 0.0067423500000000 ] - [ 0.0017671400000000, -0.0025318400000000, -0.0022150300000000 ] - [ 0.0010083100000000, -0.0003085300000000, 0.0001043000000000 ] - [ 0.0027536500000000, -0.0003568500000000, 0.0010393000000000 ] - [ -0.0007090000000000, 0.0000005600000000, 0.0004167600000000 ] - [ 0.0013080900000000, 0.0004361500000000, -0.0033792400000000 ] - [ 0.0007547300000000, 0.0000251900000000, 0.0003758200000000 ] - [ -0.0002190900000000, 0.0004758100000000, -0.0014332800000000 ] - [ -0.0002938100000000, -0.0000347900000000, -0.0000508300000000 ] - [ 0.0012536200000000, -0.0002482300000000, -0.0000372100000000 ] - [ -0.0037136200000000, -0.0012378800000000, 0.0002931400000000 ] - [ 0.0001460500000000, 0.0000355200000000, 0.0002526600000000 ] - [ -0.0010069900000000, -0.0000296600000000, 0.0026490500000000 ] - [ 0.0000856000000000, 0.0000354000000000, 0.0003120200000000 ] - [ 0.0000792500000000, -0.0010301600000000, -0.0001655900000000 ] - [ 0.0009531400000000, -0.0014941600000000, 0.0019405500000000 ] - [ -0.0061162700000000, 0.0020085900000000, 0.0084502800000000 ] - [ -0.0007836900000000, -0.0003468300000000, 0.0000362100000000 ] - [ -0.0054648800000000, -0.0000225300000000, 0.0009833600000000 ] - [ -0.0000450100000000, 0.0002231600000000, 0.0002924400000000 ] - [ 0.0013922900000000, 0.0000242600000000, 0.0000640500000000 ] - [ -0.0002179200000000, -0.0015329800000000, 0.0014289500000000 ] - [ 0.0046956300000000, 0.0071833600000000, -0.0012445100000000 ] - [ 0.0012572700000000, 0.0000436200000000, -0.0002526100000000 ] - [ -0.0018722500000000, -0.0002286200000000, -0.0007313200000000 ] - [ 0.0010838800000000, -0.0026217600000000, -0.0002192300000000 ] - [ -0.0016867300000000, -0.0000232700000000, 0.0000028200000000 ] - [ 0.0000811400000000, 0.0010271000000000, -0.0002126600000000 ] - [ 0.0000690300000000, -0.0000355900000000, 0.0003566600000000 ] - [ 0.0017676100000000, 0.0024829200000000, -0.0022163600000000 ] - [ -0.0008364900000000, 0.0003563300000000, 0.0000357100000000 ] - [ -0.0059654700000000, -0.0020439800000000, 0.0085460900000000 ] - [ -0.0077046000000000, -0.0058170900000000, -0.0039904300000000 ] - [ 0.0434689200000000, -0.0225837400000000, 0.0297797200000000 ] - [ 0.0041512600000000, 0.0027107400000000, 0.0036225200000000 ] - [ 0.0423492100000000, 0.0213721400000000, 0.0281335200000000 ] - [ -0.0010626800000000, 0.0001959000000000, 0.0002998300000000 ] - [ 0.0015847400000000, -0.0006772500000000, 0.0006775300000000 ] - [ 0.0004143500000000, -0.0016926600000000, -0.0023544800000000 ] - [ 0.0015775400000000, 0.0006744200000000, 0.0006800100000000 ] - [ 0.0003822300000000, 0.0017307400000000, -0.0023621900000000 ] - [ -0.0016062700000000, -0.0003386300000000, -0.0013296700000000 ] - [ -0.0010688400000000, -0.0001956400000000, 0.0002966800000000 ] - [ -0.0015884300000000, 0.0003482300000000, -0.0013408500000000 ] - [ 0.0041154300000000, -0.0027227900000000, 0.0036026100000000 ] - [ -0.0027310000000000, 0.0009693200000000, 0.0005153300000000 ] - [ -0.0076991100000000, 0.0057761300000000, -0.0039597900000000 ] - [ -0.0027280400000000, -0.0009803400000000, 0.0005255100000000 ] - [ 0.0088567800000000, 0.0060701200000000, 0.0058067500000000 ] - [ 0.0018483400000000, -0.0006335400000000, -0.0004083000000000 ] - [ 0.0090752700000000, -0.0058526000000000, 0.0056578700000000 ] - [ -0.0066356300000000, 0.0017658200000000, 0.0039017200000000 ] - [ 0.0007572300000000, -0.0005790800000000, -0.0007849900000000 ] - [ 0.0030442800000000, 0.0001626600000000, 0.0004131200000000 ] - [ 0.0007756900000000, 0.0005654800000000, -0.0007771400000000 ] - [ -0.0011289700000000, -0.0003160800000000, -0.0003442400000000 ] - [ -0.0021275400000000, -0.0001350800000000, 0.0007893800000000 ] - [ -0.0011322300000000, 0.0003105200000000, -0.0003404300000000 ] - [ -0.0021361600000000, 0.0001285300000000, 0.0007773300000000 ] - [ 0.0030122500000000, -0.0001554100000000, 0.0004117600000000 ] - [ -0.0031121900000000, 0.0016460700000000, -0.0015015700000000 ] - [ -0.0066293700000000, -0.0017368000000000, 0.0038761200000000 ] - [ -0.0031150000000000, -0.0016422500000000, -0.0014910900000000 ] - [ 0.0018293900000000, 0.0006304000000000, -0.0004061600000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0006523800000000, 0.0000000000000000 ] - [ 0.0015055300000000, -0.0031101200000000, -0.0015055300000000 ] - [ 0.0000000000000000, -0.0855888700000000, 0.0000000000000000 ] - [ -0.0015613100000000, 0.0001416600000000, 0.0015613100000000 ] - [ 0.0019402200000000, 0.0010450700000000, 0.0007620600000000 ] - [ 0.0007620600000000, 0.0010450700000000, 0.0019402200000000 ] - [ -0.0000123500000000, -0.0002698500000000, 0.0002623000000000 ] - [ -0.0081724400000000, 0.0047230500000000, 0.0002837900000000 ] - [ 0.0000000000000000, -0.0005010200000000, 0.0000000000000000 ] - [ 0.0067102000000000, -0.0060966700000000, 0.0011034000000000 ] - [ 0.0002282800000000, 0.0010288600000000, 0.0003422300000000 ] - [ 0.0014820700000000, -0.0002286200000000, 0.0014820700000000 ] - [ -0.0001865100000000, -0.0008080200000000, -0.0001850900000000 ] - [ 0.0003422300000000, 0.0010288600000000, 0.0002282800000000 ] - [ 0.0000000000000000, 0.0002633900000000, 0.0000000000000000 ] - [ 0.0003595900000000, 0.0017699700000000, 0.0003595900000000 ] - [ 0.0000000000000000, 0.0011984800000000, 0.0000000000000000 ] - [ 0.0004558500000000, 0.0001315400000000, 0.0004558500000000 ] - [ -0.0002623000000000, -0.0002698500000000, 0.0000123500000000 ] - [ -0.0002837900000000, 0.0047230500000000, 0.0081724400000000 ] - [ -0.0002324500000000, 0.0001176200000000, 0.0002620100000000 ] - [ 0.0002620100000000, 0.0001176200000000, -0.0002324500000000 ] - [ 0.0000000000000000, 0.0003912800000000, 0.0000000000000000 ] - [ -0.0002282800000000, 0.0010288600000000, -0.0003422300000000 ] - [ -0.0067102000000000, -0.0060966700000000, -0.0011034000000000 ] - [ -0.0025159600000000, 0.0039992000000000, 0.0025159600000000 ] - [ -0.0003422300000000, 0.0010288600000000, -0.0002282800000000 ] - [ 0.0001865100000000, -0.0008080200000000, 0.0001850900000000 ] - [ 0.0000000000000000, -0.0006523800000000, 0.0000000000000000 ] - [ -0.0015055300000000, -0.0031101200000000, 0.0015055300000000 ] - [ 0.0000000000000000, -0.0005726900000000, 0.0000000000000000 ] - [ 0.0015613100000000, 0.0001416600000000, -0.0015613100000000 ] - [ -0.0002620100000000, 0.0001176200000000, 0.0002324500000000 ] - [ 0.0002324500000000, 0.0001176200000000, -0.0002620100000000 ] - [ 0.0002837900000000, 0.0047230500000000, -0.0081724400000000 ] - [ 0.0002623000000000, -0.0002698500000000, -0.0000123500000000 ] - [ 0.0000000000000000, -0.0005010200000000, 0.0000000000000000 ] - [ -0.0001850900000000, -0.0008080200000000, -0.0001865100000000 ] - [ -0.0003310600000000, 0.0027190200000000, 0.0001911600000000 ] - [ -0.0014820700000000, -0.0002286200000000, -0.0014820700000000 ] - [ 0.0011034000000000, -0.0060966700000000, 0.0067102000000000 ] - [ 0.0001911600000000, 0.0027190200000000, -0.0003310600000000 ] - [ 0.0000000000000000, 0.0190680500000000, 0.0000000000000000 ] - [ -0.0003595900000000, 0.0017699700000000, -0.0003595900000000 ] - [ 0.0000000000000000, 0.0011984800000000, 0.0000000000000000 ] - [ -0.0004558500000000, 0.0001315400000000, -0.0004558500000000 ] - [ 0.0081724400000000, 0.0047230500000000, -0.0002837900000000 ] - [ 0.0000123500000000, -0.0002698500000000, -0.0002623000000000 ] - [ -0.0007620600000000, 0.0010450700000000, -0.0019402200000000 ] - [ -0.0019402200000000, 0.0010450700000000, -0.0007620600000000 ] - [ 0.0000000000000000, 0.0041394600000000, 0.0000000000000000 ] - [ 0.0003310600000000, 0.0027190200000000, -0.0001911600000000 ] - [ 0.0001850900000000, -0.0008080200000000, 0.0001865100000000 ] - [ 0.0025159600000000, 0.0039992000000000, -0.0025159600000000 ] - [ -0.0001911600000000, 0.0027190200000000, 0.0003310600000000 ] - [ -0.0011034000000000, -0.0060966700000000, -0.0067102000000000 ] - [ -0.0010763100000000, 0.0005261700000000, -0.0008165300000000 ] - [ -0.0200468900000000, 0.0339992500000000, -0.0200468900000000 ] - [ 0.0016576100000000, -0.0078307000000000, -0.0016576100000000 ] - [ 0.0200468900000000, 0.0339992500000000, 0.0200468900000000 ] - [ 0.0007660500000000, -0.0010622700000000, -0.0007660500000000 ] - [ 0.0007276900000000, -0.0027484100000000, 0.0010250300000000 ] - [ -0.0008165300000000, 0.0005261700000000, -0.0010763100000000 ] - [ -0.0007276900000000, -0.0027484100000000, -0.0010250300000000 ] - [ 0.0008165300000000, 0.0005261700000000, 0.0010763100000000 ] - [ -0.0005320200000000, 0.0014763000000000, -0.0005320200000000 ] - [ -0.0007660500000000, -0.0010622700000000, 0.0007660500000000 ] - [ 0.0005320200000000, 0.0014763000000000, 0.0005320200000000 ] - [ -0.0016576100000000, -0.0078307000000000, 0.0016576100000000 ] - [ 0.0010250300000000, -0.0027484100000000, 0.0007276900000000 ] - [ 0.0010763100000000, 0.0005261700000000, 0.0008165300000000 ] - [ -0.0010250300000000, -0.0027484100000000, -0.0007276900000000 ] - [ 0.0082435400000000, 0.0039350700000000, -0.0082435400000000 ] - [ -0.0027440500000000, -0.0054442400000000, -0.0027440500000000 ] - [ -0.0082435400000000, 0.0039350700000000, 0.0082435400000000 ] - [ 0.0014418900000000, 0.0042080100000000, -0.0013489800000000 ] - [ -0.0021959700000000, -0.0025379400000000, -0.0019019800000000 ] - [ 0.0013489800000000, 0.0042080100000000, -0.0014418900000000 ] - [ 0.0021959700000000, -0.0025379400000000, 0.0019019800000000 ] - [ -0.0000659900000000, -0.0011622700000000, -0.0000659900000000 ] - [ -0.0007415200000000, 0.0006760300000000, 0.0007415200000000 ] - [ 0.0000659900000000, -0.0011622700000000, 0.0000659900000000 ] - [ 0.0007415200000000, 0.0006760300000000, -0.0007415200000000 ] - [ -0.0013489800000000, 0.0042080100000000, 0.0014418900000000 ] - [ 0.0019019800000000, -0.0025379400000000, 0.0021959700000000 ] - [ -0.0014418900000000, 0.0042080100000000, 0.0013489800000000 ] - [ -0.0019019800000000, -0.0025379400000000, -0.0021959700000000 ] - [ 0.0027440500000000, -0.0054442400000000, 0.0027440500000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0006616400000000, 0.0000000000000000 ] - [ -0.0015029800000000, 0.0030936900000000, 0.0015029800000000 ] - [ 0.0000000000000000, 0.0853788700000000, 0.0000000000000000 ] - [ 0.0015688600000000, -0.0000852700000000, -0.0015688600000000 ] - [ -0.0019720000000000, -0.0010562400000000, -0.0007499700000000 ] - [ -0.0007499700000000, -0.0010562400000000, -0.0019720000000000 ] - [ 0.0000109600000000, 0.0002739700000000, -0.0002101300000000 ] - [ 0.0083136900000000, -0.0047467500000000, -0.0002820300000000 ] - [ 0.0000000000000000, 0.0004449800000000, 0.0000000000000000 ] - [ -0.0068226200000000, 0.0059848400000000, -0.0011843400000000 ] - [ -0.0002283800000000, -0.0010310000000000, -0.0002904700000000 ] - [ -0.0014694200000000, 0.0001944500000000, -0.0014694200000000 ] - [ 0.0001415900000000, 0.0008114200000000, 0.0001941300000000 ] - [ -0.0002904700000000, -0.0010310000000000, -0.0002283800000000 ] - [ 0.0000000000000000, -0.0002675300000000, 0.0000000000000000 ] - [ -0.0003530900000000, -0.0017668000000000, -0.0003530900000000 ] - [ 0.0000000000000000, -0.0011515200000000, 0.0000000000000000 ] - [ -0.0004561600000000, -0.0000971700000000, -0.0004561600000000 ] - [ 0.0002101300000000, 0.0002739700000000, -0.0000109600000000 ] - [ 0.0002820300000000, -0.0047467500000000, -0.0083136900000000 ] - [ 0.0002302600000000, -0.0001210000000000, -0.0002117800000000 ] - [ -0.0002117800000000, -0.0001210000000000, 0.0002302600000000 ] - [ 0.0000000000000000, -0.0004415800000000, 0.0000000000000000 ] - [ 0.0002283800000000, -0.0010310000000000, 0.0002904700000000 ] - [ 0.0068226200000000, 0.0059848400000000, 0.0011843400000000 ] - [ 0.0024983800000000, -0.0040214600000000, -0.0024983800000000 ] - [ 0.0002904700000000, -0.0010310000000000, 0.0002283800000000 ] - [ -0.0001415900000000, 0.0008114200000000, -0.0001941300000000 ] - [ 0.0000000000000000, 0.0006616400000000, 0.0000000000000000 ] - [ 0.0015029800000000, 0.0030936900000000, -0.0015029800000000 ] - [ 0.0000000000000000, 0.0006276800000000, 0.0000000000000000 ] - [ -0.0015688600000000, -0.0000852700000000, 0.0015688600000000 ] - [ 0.0002117800000000, -0.0001210000000000, -0.0002302600000000 ] - [ -0.0002302600000000, -0.0001210000000000, 0.0002117800000000 ] - [ -0.0002820300000000, -0.0047467500000000, 0.0083136900000000 ] - [ -0.0002101300000000, 0.0002739700000000, 0.0000109600000000 ] - [ 0.0000000000000000, 0.0004449800000000, 0.0000000000000000 ] - [ 0.0001941300000000, 0.0008114200000000, 0.0001415900000000 ] - [ 0.0003404400000000, -0.0027255300000000, -0.0001379900000000 ] - [ 0.0014694200000000, 0.0001944500000000, 0.0014694200000000 ] - [ -0.0011843400000000, 0.0059848400000000, -0.0068226200000000 ] - [ -0.0001379900000000, -0.0027255300000000, 0.0003404400000000 ] - [ 0.0000000000000000, -0.0187596000000000, 0.0000000000000000 ] - [ 0.0003530900000000, -0.0017668000000000, 0.0003530900000000 ] - [ 0.0000000000000000, -0.0011515200000000, 0.0000000000000000 ] - [ 0.0004561600000000, -0.0000971700000000, 0.0004561600000000 ] - [ -0.0083136900000000, -0.0047467500000000, 0.0002820300000000 ] - [ -0.0000109600000000, 0.0002739700000000, 0.0002101300000000 ] - [ 0.0007499700000000, -0.0010562400000000, 0.0019720000000000 ] - [ 0.0019720000000000, -0.0010562400000000, 0.0007499700000000 ] - [ 0.0000000000000000, -0.0041860300000000, 0.0000000000000000 ] - [ -0.0003404400000000, -0.0027255300000000, 0.0001379900000000 ] - [ -0.0001941300000000, 0.0008114200000000, -0.0001415900000000 ] - [ -0.0024983800000000, -0.0040214600000000, 0.0024983800000000 ] - [ 0.0001379900000000, -0.0027255300000000, -0.0003404400000000 ] - [ 0.0011843400000000, 0.0059848400000000, 0.0068226200000000 ] - [ 0.0010910000000000, -0.0004796500000000, 0.0008391800000000 ] - [ 0.0207895200000000, -0.0341690300000000, 0.0207895200000000 ] - [ -0.0016806500000000, 0.0078552100000000, 0.0016806500000000 ] - [ -0.0207895200000000, -0.0341690300000000, -0.0207895200000000 ] - [ -0.0007692600000000, 0.0010581400000000, 0.0007692600000000 ] - [ -0.0007264800000000, 0.0027517200000000, -0.0010168000000000 ] - [ 0.0008391800000000, -0.0004796500000000, 0.0010910000000000 ] - [ 0.0007264800000000, 0.0027517200000000, 0.0010168000000000 ] - [ -0.0008391800000000, -0.0004796500000000, -0.0010910000000000 ] - [ 0.0005306800000000, -0.0014895800000000, 0.0005306800000000 ] - [ 0.0007692600000000, 0.0010581400000000, -0.0007692600000000 ] - [ -0.0005306800000000, -0.0014895800000000, -0.0005306800000000 ] - [ 0.0016806500000000, 0.0078552100000000, -0.0016806500000000 ] - [ -0.0010168000000000, 0.0027517200000000, -0.0007264800000000 ] - [ -0.0010910000000000, -0.0004796500000000, -0.0008391800000000 ] - [ 0.0010168000000000, 0.0027517200000000, 0.0007264800000000 ] - [ -0.0084672400000000, -0.0035527100000000, 0.0084672400000000 ] - [ 0.0027095100000000, 0.0054274700000000, 0.0027095100000000 ] - [ 0.0084672400000000, -0.0035527100000000, -0.0084672400000000 ] - [ -0.0014401400000000, -0.0042385300000000, 0.0013394700000000 ] - [ 0.0022034100000000, 0.0025343800000000, 0.0019068300000000 ] - [ -0.0013394700000000, -0.0042385300000000, 0.0014401400000000 ] - [ -0.0022034100000000, 0.0025343800000000, -0.0019068300000000 ] - [ 0.0000671100000000, 0.0011705200000000, 0.0000671100000000 ] - [ 0.0007384800000000, -0.0006637500000000, -0.0007384800000000 ] - [ -0.0000671100000000, 0.0011705200000000, -0.0000671100000000 ] - [ -0.0007384800000000, -0.0006637500000000, 0.0007384800000000 ] - [ 0.0013394700000000, -0.0042385300000000, -0.0014401400000000 ] - [ -0.0019068300000000, 0.0025343800000000, -0.0022034100000000 ] - [ 0.0014401400000000, -0.0042385300000000, -0.0013394700000000 ] - [ 0.0019068300000000, 0.0025343800000000, 0.0022034100000000 ] - [ -0.0027095100000000, 0.0054274700000000, -0.0027095100000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0027858800000000, 0.0040798100000000, 0.0012011600000000 ] - [ 0.0027755200000000, -0.0011969500000000, -0.0040834600000000 ] - [ -0.0077104800000000, -0.0010503400000000, -0.0023534100000000 ] - [ 0.0015768000000000, 0.0007519100000000, -0.0005204300000000 ] - [ 0.0339599000000000, -0.0216366200000000, 0.0216366200000000 ] - [ -0.0077104800000000, 0.0023534100000000, 0.0010503400000000 ] - [ 0.0015850100000000, 0.0005205200000000, -0.0007030000000000 ] - [ 0.0005265200000000, -0.0058038400000000, -0.0017114600000000 ] - [ 0.0434466400000000, -0.0210384700000000, -0.0297262300000000 ] - [ 0.0423708900000000, 0.0281866300000000, 0.0198089700000000 ] - [ -0.0010643900000000, -0.0003000300000000, -0.0007450800000000 ] - [ -0.0010643900000000, 0.0007450800000000, 0.0003000300000000 ] - [ 0.0004799500000000, 0.0017122100000000, 0.0057887800000000 ] - [ 0.0015059500000000, -0.0003467300000000, 0.0003467300000000 ] - [ 0.0027858800000000, -0.0012011600000000, -0.0040798100000000 ] - [ 0.0027755200000000, 0.0040834600000000, 0.0011969500000000 ] - [ -0.0010686400000000, 0.0007896300000000, 0.0002983700000000 ] - [ 0.0423708900000000, -0.0198089700000000, -0.0281866300000000 ] - [ 0.0014550500000000, -0.0003426900000000, 0.0003426900000000 ] - [ -0.0010686400000000, -0.0002983700000000, -0.0007896300000000 ] - [ 0.0434466400000000, 0.0297262300000000, 0.0210384700000000 ] - [ 0.0005265200000000, 0.0017114600000000, 0.0058038400000000 ] - [ 0.0015850100000000, 0.0007030000000000, -0.0005205200000000 ] - [ 0.0015768000000000, 0.0005204300000000, -0.0007519100000000 ] - [ -0.0076950100000000, 0.0023650600000000, 0.0011181200000000 ] - [ -0.0076950100000000, -0.0011181200000000, -0.0023650600000000 ] - [ 0.0004799500000000, -0.0057887800000000, -0.0017122100000000 ] - [ 0.0342102800000000, -0.0223058400000000, 0.0223058400000000 ] - [ -0.0012616800000000, 0.0000004100000000, -0.0000004100000000 ] - [ -0.0065959500000000, 0.0012837400000000, -0.0012837400000000 ] - [ 0.0004033900000000, 0.0008532200000000, -0.0039648300000000 ] - [ -0.0027281400000000, 0.0010463100000000, -0.0006796800000000 ] - [ -0.0027724100000000, -0.0006759400000000, -0.0009755500000000 ] - [ 0.0041367400000000, -0.0036093500000000, 0.0016467800000000 ] - [ -0.0015995700000000, -0.0013291300000000, 0.0005568000000000 ] - [ -0.0010325600000000, 0.0001968700000000, -0.0001968700000000 ] - [ -0.0015995700000000, -0.0005568000000000, 0.0013291300000000 ] - [ -0.0027281400000000, 0.0006796800000000, -0.0010463100000000 ] - [ 0.0003947300000000, 0.0039825200000000, -0.0008045200000000 ] - [ 0.0041268200000000, -0.0016946900000000, 0.0036129200000000 ] - [ -0.0078552400000000, -0.0027018900000000, 0.0027018900000000 ] - [ -0.0027287100000000, 0.0009720400000000, 0.0006755200000000 ] - [ -0.0065884100000000, 0.0012620400000000, -0.0012620400000000 ] - [ -0.0012548900000000, -0.0000051400000000, 0.0000051400000000 ] - [ 0.0041367400000000, -0.0016467800000000, 0.0036093500000000 ] - [ -0.0015979100000000, -0.0005064500000000, 0.0013421000000000 ] - [ -0.0027724100000000, 0.0009755500000000, 0.0006759400000000 ] - [ 0.0004033900000000, 0.0039648300000000, -0.0008532200000000 ] - [ -0.0027336500000000, 0.0006778300000000, -0.0009945800000000 ] - [ -0.0078324000000000, -0.0027297400000000, 0.0027297400000000 ] - [ -0.0027336500000000, 0.0009945800000000, -0.0006778300000000 ] - [ -0.0015979100000000, -0.0013421000000000, 0.0005064500000000 ] - [ 0.0041268200000000, -0.0036129200000000, 0.0016946900000000 ] - [ 0.0003947300000000, 0.0008045200000000, -0.0039825200000000 ] - [ -0.0010873300000000, 0.0001935200000000, -0.0001935200000000 ] - [ -0.0027287100000000, -0.0006755200000000, -0.0009720400000000 ] - [ -0.2738347300000000, 0.0318553900000000, -0.0318553900000000 ] - [ 0.0144704700000000, 0.0199285000000000, -0.0051436500000000 ] - [ 0.0016992000000000, 0.0000759700000000, 0.0029938900000000 ] - [ 0.0068423600000000, -0.0000809400000000, 0.0000695500000000 ] - [ -0.0024424500000000, -0.0001051000000000, 0.0001051000000000 ] - [ 0.0016992000000000, -0.0029938900000000, -0.0000759700000000 ] - [ 0.0144704700000000, 0.0051436500000000, -0.0199285000000000 ] - [ 0.0068423600000000, -0.0000695500000000, 0.0000809400000000 ] - [ 0.0049896200000000, -0.0001057100000000, 0.0003838400000000 ] - [ 0.0016825700000000, -0.0029913100000000, -0.0000739700000000 ] - [ 0.0016825700000000, 0.0000739700000000, 0.0029913100000000 ] - [ -0.0129302600000000, -0.0051039300000000, 0.0051039300000000 ] - [ 0.0049896200000000, -0.0003838400000000, 0.0001057100000000 ] - [ 0.0144921800000000, 0.0200726500000000, -0.0051029600000000 ] - [ 0.0144921800000000, 0.0051029600000000, -0.0200726500000000 ] - [ -0.0129536500000000, -0.0051440900000000, 0.0051440900000000 ] - [ 0.0130494200000000, -0.0008219800000000, 0.0008219800000000 ] - [ 0.0130450200000000, -0.0166431600000000, 0.0025220100000000 ] - [ 0.0130450200000000, -0.0025220100000000, 0.0166431600000000 ] - [ -0.0187427600000000, -0.0010416900000000, 0.0010730100000000 ] - [ 0.0024846400000000, -0.0001639100000000, 0.0001639100000000 ] - [ 0.0008146900000000, 0.0015219700000000, 0.0004872600000000 ] - [ 0.0008146900000000, -0.0004872600000000, -0.0015219700000000 ] - [ -0.0187427600000000, -0.0010730100000000, 0.0010416900000000 ] - [ -0.0075710400000000, 0.0005887300000000, 0.0003308100000000 ] - [ 0.0008033700000000, 0.0015232100000000, 0.0004815100000000 ] - [ 0.0130623800000000, -0.0025154900000000, 0.0167691100000000 ] - [ 0.0060002800000000, 0.0005523500000000, -0.0005523500000000 ] - [ -0.0075710400000000, -0.0003308100000000, -0.0005887300000000 ] - [ 0.0130623800000000, -0.0167691100000000, 0.0025154900000000 ] - [ 0.0008033700000000, -0.0004815100000000, -0.0015232100000000 ] - [ 0.0060079000000000, 0.0005758100000000, -0.0005758100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0030888000000000, -0.0020023000000000, -0.0015517600000000 ] - [ -0.0030866200000000, 0.0015526600000000, 0.0020087100000000 ] - [ 0.0090999600000000, 0.0082970600000000, 0.0056655700000000 ] - [ -0.0011328400000000, 0.0000932200000000, 0.0003472700000000 ] - [ -0.0054620100000000, -0.0006336800000000, 0.0006336800000000 ] - [ 0.0090999600000000, -0.0056655700000000, -0.0082970600000000 ] - [ -0.0011274700000000, -0.0003384000000000, -0.0000355600000000 ] - [ -0.0025057400000000, 0.0016460400000000, 0.0005736700000000 ] - [ -0.0066275500000000, -0.0014593000000000, -0.0003995600000000 ] - [ -0.0066394100000000, 0.0004248400000000, 0.0014232000000000 ] - [ 0.0007657500000000, 0.0014977300000000, 0.0022267900000000 ] - [ 0.0007657500000000, -0.0022267900000000, -0.0014977300000000 ] - [ -0.0025694800000000, -0.0005733700000000, -0.0016450400000000 ] - [ -0.0011409000000000, 0.0003086900000000, -0.0003086900000000 ] - [ -0.0030888000000000, 0.0015517600000000, 0.0020023000000000 ] - [ -0.0030866200000000, -0.0020087100000000, -0.0015526600000000 ] - [ 0.0007684200000000, -0.0021740800000000, -0.0014944500000000 ] - [ -0.0066394100000000, -0.0014232000000000, -0.0004248400000000 ] - [ -0.0011910700000000, 0.0003185800000000, -0.0003185800000000 ] - [ 0.0007684200000000, 0.0014944500000000, 0.0021740800000000 ] - [ -0.0066275500000000, 0.0003995600000000, 0.0014593000000000 ] - [ -0.0025057400000000, -0.0005736700000000, -0.0016460400000000 ] - [ -0.0011274700000000, 0.0000355600000000, 0.0003384000000000 ] - [ -0.0011328400000000, -0.0003472700000000, -0.0000932200000000 ] - [ 0.0088372400000000, -0.0058020200000000, -0.0084126100000000 ] - [ 0.0088372400000000, 0.0084126100000000, 0.0058020200000000 ] - [ -0.0025694800000000, 0.0016450400000000, 0.0005733700000000 ] - [ -0.0054126700000000, -0.0006301900000000, 0.0006301900000000 ] - [ 0.0024571400000000, -0.0008487000000000, 0.0008487000000000 ] - [ 0.0174634300000000, 0.0036204500000000, -0.0036204500000000 ] - [ -0.0021348300000000, -0.0007136400000000, 0.0007793600000000 ] - [ 0.0018385200000000, -0.0027019100000000, 0.0004060300000000 ] - [ 0.0041931100000000, 0.0001590800000000, 0.0017526900000000 ] - [ -0.0031202300000000, 0.0007829900000000, -0.0019304000000000 ] - [ 0.0030333800000000, 0.0038957600000000, -0.0013196800000000 ] - [ 0.0006954000000000, -0.0001310600000000, 0.0001310600000000 ] - [ 0.0030333800000000, 0.0013196800000000, -0.0038957600000000 ] - [ 0.0018385200000000, -0.0004060300000000, 0.0027019100000000 ] - [ -0.0021296300000000, -0.0007879200000000, 0.0007632900000000 ] - [ -0.0031102800000000, 0.0018825300000000, -0.0007817600000000 ] - [ 0.0039454000000000, 0.0058283300000000, -0.0058283300000000 ] - [ 0.0042505000000000, -0.0017513100000000, -0.0001593200000000 ] - [ 0.0179841500000000, 0.0041633500000000, -0.0041633500000000 ] - [ 0.0024533700000000, -0.0008476500000000, 0.0008476500000000 ] - [ -0.0031202300000000, 0.0019304000000000, -0.0007829900000000 ] - [ 0.0030227300000000, 0.0013725000000000, -0.0038842700000000 ] - [ 0.0041931100000000, -0.0017526900000000, -0.0001590800000000 ] - [ -0.0021348300000000, -0.0007793600000000, 0.0007136400000000 ] - [ 0.0018394400000000, -0.0004095900000000, 0.0027516700000000 ] - [ 0.0035521500000000, 0.0060949500000000, -0.0060949500000000 ] - [ 0.0018394400000000, -0.0027516700000000, 0.0004095900000000 ] - [ 0.0030227300000000, 0.0038842700000000, -0.0013725000000000 ] - [ -0.0031102800000000, 0.0007817600000000, -0.0018825300000000 ] - [ -0.0021296300000000, -0.0007632900000000, 0.0007879200000000 ] - [ 0.0006477900000000, -0.0001314100000000, 0.0001314100000000 ] - [ 0.0042505000000000, 0.0001593200000000, 0.0017513100000000 ] - [ 0.0130536500000000, -0.0003314100000000, 0.0003314100000000 ] - [ 0.0130634900000000, -0.0167694400000000, -0.0010578600000000 ] - [ 0.0008067200000000, -0.0005598900000000, -0.0015219600000000 ] - [ -0.0187422000000000, 0.0025310700000000, -0.0025044500000000 ] - [ 0.0024830700000000, -0.0001626500000000, 0.0001626500000000 ] - [ 0.0008067200000000, 0.0015219600000000, 0.0005598900000000 ] - [ 0.0130634900000000, 0.0010578600000000, 0.0167694400000000 ] - [ -0.0187422000000000, 0.0025044500000000, -0.0025310700000000 ] - [ -0.0075672700000000, 0.0005892000000000, 0.0008215900000000 ] - [ 0.0008138100000000, 0.0015183400000000, 0.0005657500000000 ] - [ 0.0008138100000000, -0.0005657500000000, -0.0015183400000000 ] - [ 0.0060020700000000, 0.0004803000000000, -0.0004803000000000 ] - [ -0.0075672700000000, -0.0008215900000000, -0.0005892000000000 ] - [ 0.0130433200000000, -0.0166457700000000, -0.0010574800000000 ] - [ 0.0130433200000000, 0.0010574800000000, 0.0166457700000000 ] - [ 0.0060068700000000, 0.0004879900000000, -0.0004879900000000 ] - [ -0.1045578800000000, -0.0306622100000000, 0.0306622100000000 ] - [ 0.0131090500000000, 0.0172238500000000, 0.0032095800000000 ] - [ 0.0131090500000000, -0.0032095800000000, -0.0172238500000000 ] - [ 0.0058695400000000, 0.0000432000000000, -0.0000620000000000 ] - [ -0.0034295700000000, 0.0004291100000000, -0.0004291100000000 ] - [ 0.0002164800000000, -0.0014172600000000, 0.0000531500000000 ] - [ 0.0002164800000000, -0.0000531500000000, 0.0014172600000000 ] - [ 0.0058695400000000, 0.0000620000000000, -0.0000432000000000 ] - [ 0.0049944600000000, 0.0004301600000000, 0.0004779000000000 ] - [ 0.0002232700000000, -0.0014126700000000, 0.0000525200000000 ] - [ 0.0130668300000000, -0.0032184700000000, -0.0170765600000000 ] - [ -0.0170527700000000, 0.0032348000000000, -0.0032348000000000 ] - [ 0.0049944600000000, -0.0004779000000000, -0.0004301600000000 ] - [ 0.0130668300000000, 0.0170765600000000, 0.0032184700000000 ] - [ 0.0002232700000000, -0.0000525200000000, 0.0014126700000000 ] - [ -0.0170449000000000, 0.0031935100000000, -0.0031935100000000 ]