# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8522927f-885d-4512-8593-290643b5800c/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 Ti2Bi2O7 / Fd-3m (227) / materials id 559482](https://mdr.nims.go.jp/datasets/274c055f-2356-4241-bb8e-cbe3da26612c) ## 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, 5.148187440000000, 5.148187440000000 ] # a - [ 5.148187440000000, 0.000000000000000, 5.148187440000000 ] # b - [ 5.148187440000000, 5.148187440000000, 0.000000000000000 ] # c points: - symbol: Ti # 1 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 47.867000 - symbol: Ti # 2 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 47.867000 - symbol: Ti # 3 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 47.867000 - symbol: Ti # 4 coordinates: [ 0.125000000000000, 0.125000000000000, 0.125000000000000 ] mass: 47.867000 - symbol: Bi # 5 coordinates: [ 0.125000000000000, 0.625000000000000, 0.625000000000000 ] mass: 208.980400 - symbol: Bi # 6 coordinates: [ 0.625000000000000, 0.625000000000000, 0.125000000000000 ] mass: 208.980400 - symbol: Bi # 7 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 208.980400 - symbol: Bi # 8 coordinates: [ 0.625000000000000, 0.125000000000000, 0.625000000000000 ] mass: 208.980400 - symbol: O # 9 coordinates: [ 0.050607830000000, 0.449392170000000, 0.050607830000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.050607830000000, 0.449392170000000, 0.449392170000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.199392170000000, 0.800607830000000, 0.199392170000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.050607830000000, 0.050607830000000, 0.449392170000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.449392170000000, 0.050607830000000, 0.449392170000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.449392170000000, 0.050607830000000, 0.050607830000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.199392170000000, 0.800607830000000, 0.800607830000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.800607830000000, 0.199392170000000, 0.800607830000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.449392170000000, 0.449392170000000, 0.050607830000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.800607830000000, 0.199392170000000, 0.199392170000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.800607830000000, 0.800607830000000, 0.199392170000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.199392170000000, 0.199392170000000, 0.800607830000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ -0.097121560904162, 0.097121560904162, 0.097121560904162 ] # a* - [ 0.097121560904162, -0.097121560904162, 0.097121560904162 ] # b* - [ 0.097121560904162, 0.097121560904162, -0.097121560904162 ] # c*unit_cell: lattice: - [ 10.296374880000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.296374880000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.296374880000000 ] # c points: - symbol: Ti # 1 coordinates: [ 0.375000000000000, 0.375000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 2 coordinates: [ 0.375000000000000, 0.625000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 2 - symbol: Ti # 3 coordinates: [ 0.125000000000000, 0.375000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 4 coordinates: [ 0.625000000000000, 0.625000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 4 - symbol: Ti # 5 coordinates: [ 0.375000000000000, 0.875000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 6 coordinates: [ 0.375000000000000, 0.125000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 2 - symbol: Ti # 7 coordinates: [ 0.125000000000000, 0.875000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 8 coordinates: [ 0.625000000000000, 0.125000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 4 - symbol: Ti # 9 coordinates: [ 0.875000000000000, 0.375000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 10 coordinates: [ 0.875000000000000, 0.625000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 2 - symbol: Ti # 11 coordinates: [ 0.625000000000000, 0.375000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 12 coordinates: [ 0.125000000000000, 0.625000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 4 - symbol: Ti # 13 coordinates: [ 0.875000000000000, 0.875000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 14 coordinates: [ 0.875000000000000, 0.125000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 2 - symbol: Ti # 15 coordinates: [ 0.625000000000000, 0.875000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 16 coordinates: [ 0.125000000000000, 0.125000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 4 - symbol: Bi # 17 coordinates: [ 0.625000000000000, 0.375000000000000, 0.375000000000000 ] mass: 208.980400 reduced_to: 17 - symbol: Bi # 18 coordinates: [ 0.875000000000000, 0.375000000000000, 0.125000000000000 ] mass: 208.980400 reduced_to: 18 - symbol: Bi # 19 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 20 coordinates: [ 0.875000000000000, 0.625000000000000, 0.875000000000000 ] mass: 208.980400 reduced_to: 20 - symbol: Bi # 21 coordinates: [ 0.625000000000000, 0.875000000000000, 0.875000000000000 ] mass: 208.980400 reduced_to: 17 - symbol: Bi # 22 coordinates: [ 0.875000000000000, 0.875000000000000, 0.625000000000000 ] mass: 208.980400 reduced_to: 18 - symbol: Bi # 23 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 24 coordinates: [ 0.875000000000000, 0.125000000000000, 0.375000000000000 ] mass: 208.980400 reduced_to: 20 - symbol: Bi # 25 coordinates: [ 0.125000000000000, 0.375000000000000, 0.875000000000000 ] mass: 208.980400 reduced_to: 17 - symbol: Bi # 26 coordinates: [ 0.375000000000000, 0.375000000000000, 0.625000000000000 ] mass: 208.980400 reduced_to: 18 - symbol: Bi # 27 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 28 coordinates: [ 0.375000000000000, 0.625000000000000, 0.375000000000000 ] mass: 208.980400 reduced_to: 20 - symbol: Bi # 29 coordinates: [ 0.125000000000000, 0.875000000000000, 0.375000000000000 ] mass: 208.980400 reduced_to: 17 - symbol: Bi # 30 coordinates: [ 0.375000000000000, 0.875000000000000, 0.125000000000000 ] mass: 208.980400 reduced_to: 18 - symbol: Bi # 31 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 32 coordinates: [ 0.375000000000000, 0.125000000000000, 0.875000000000000 ] mass: 208.980400 reduced_to: 20 - symbol: O # 33 coordinates: [ 0.750000000000000, 0.550607830000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.449392170000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.500000000000000, 0.699392170000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.750000000000000, 0.750000000000000, 0.050607830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.250000000000000, 0.449392170000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.550607830000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.800607830000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.000000000000000, 0.800607830000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.250000000000000, 0.750000000000000, 0.949392170000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.699392170000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.000000000000000, 0.500000000000000, 0.300607830000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.500000000000000, 0.500000000000000, 0.199392170000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.750000000000000, 0.050607830000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 48 coordinates: [ 0.449392170000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 49 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 50 coordinates: [ 0.500000000000000, 0.199392170000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 51 coordinates: [ 0.750000000000000, 0.250000000000000, 0.550607830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 52 coordinates: [ 0.250000000000000, 0.949392170000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 53 coordinates: [ 0.550607830000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 54 coordinates: [ 0.800607830000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 55 coordinates: [ 0.000000000000000, 0.300607830000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 56 coordinates: [ 0.250000000000000, 0.250000000000000, 0.449392170000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 57 coordinates: [ 0.699392170000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 58 coordinates: [ 0.000000000000000, 0.000000000000000, 0.800607830000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 59 coordinates: [ 0.500000000000000, 0.000000000000000, 0.699392170000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 60 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 61 coordinates: [ 0.250000000000000, 0.550607830000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 62 coordinates: [ 0.949392170000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 63 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 64 coordinates: [ 0.000000000000000, 0.699392170000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 65 coordinates: [ 0.250000000000000, 0.750000000000000, 0.550607830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 66 coordinates: [ 0.750000000000000, 0.449392170000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 67 coordinates: [ 0.050607830000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 68 coordinates: [ 0.300607830000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 69 coordinates: [ 0.500000000000000, 0.800607830000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 70 coordinates: [ 0.750000000000000, 0.750000000000000, 0.449392170000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 71 coordinates: [ 0.199392170000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 72 coordinates: [ 0.500000000000000, 0.500000000000000, 0.800607830000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.500000000000000, 0.699392170000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 74 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 75 coordinates: [ 0.250000000000000, 0.050607830000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 76 coordinates: [ 0.949392170000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 77 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 78 coordinates: [ 0.000000000000000, 0.199392170000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 79 coordinates: [ 0.250000000000000, 0.250000000000000, 0.050607830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 80 coordinates: [ 0.750000000000000, 0.949392170000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 81 coordinates: [ 0.050607830000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 82 coordinates: [ 0.300607830000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 83 coordinates: [ 0.500000000000000, 0.300607830000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 84 coordinates: [ 0.750000000000000, 0.250000000000000, 0.949392170000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 85 coordinates: [ 0.199392170000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 86 coordinates: [ 0.500000000000000, 0.000000000000000, 0.300607830000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 87 coordinates: [ 0.000000000000000, 0.000000000000000, 0.199392170000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 88 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46supercell: lattice: - [ 10.296374880000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.296374880000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.296374880000000 ] # c points: - symbol: Ti # 1 coordinates: [ 0.375000000000000, 0.375000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 2 coordinates: [ 0.375000000000000, 0.625000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 2 - symbol: Ti # 3 coordinates: [ 0.125000000000000, 0.375000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 4 coordinates: [ 0.625000000000000, 0.625000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 4 - symbol: Ti # 5 coordinates: [ 0.375000000000000, 0.875000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 6 coordinates: [ 0.375000000000000, 0.125000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 2 - symbol: Ti # 7 coordinates: [ 0.125000000000000, 0.875000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 8 coordinates: [ 0.625000000000000, 0.125000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 4 - symbol: Ti # 9 coordinates: [ 0.875000000000000, 0.375000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 10 coordinates: [ 0.875000000000000, 0.625000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 2 - symbol: Ti # 11 coordinates: [ 0.625000000000000, 0.375000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 12 coordinates: [ 0.125000000000000, 0.625000000000000, 0.625000000000000 ] mass: 47.867000 reduced_to: 4 - symbol: Ti # 13 coordinates: [ 0.875000000000000, 0.875000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 14 coordinates: [ 0.875000000000000, 0.125000000000000, 0.875000000000000 ] mass: 47.867000 reduced_to: 2 - symbol: Ti # 15 coordinates: [ 0.625000000000000, 0.875000000000000, 0.375000000000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 16 coordinates: [ 0.125000000000000, 0.125000000000000, 0.125000000000000 ] mass: 47.867000 reduced_to: 4 - symbol: Bi # 17 coordinates: [ 0.625000000000000, 0.375000000000000, 0.375000000000000 ] mass: 208.980400 reduced_to: 17 - symbol: Bi # 18 coordinates: [ 0.875000000000000, 0.375000000000000, 0.125000000000000 ] mass: 208.980400 reduced_to: 18 - symbol: Bi # 19 coordinates: [ 0.625000000000000, 0.625000000000000, 0.625000000000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 20 coordinates: [ 0.875000000000000, 0.625000000000000, 0.875000000000000 ] mass: 208.980400 reduced_to: 20 - symbol: Bi # 21 coordinates: [ 0.625000000000000, 0.875000000000000, 0.875000000000000 ] mass: 208.980400 reduced_to: 17 - symbol: Bi # 22 coordinates: [ 0.875000000000000, 0.875000000000000, 0.625000000000000 ] mass: 208.980400 reduced_to: 18 - symbol: Bi # 23 coordinates: [ 0.625000000000000, 0.125000000000000, 0.125000000000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 24 coordinates: [ 0.875000000000000, 0.125000000000000, 0.375000000000000 ] mass: 208.980400 reduced_to: 20 - symbol: Bi # 25 coordinates: [ 0.125000000000000, 0.375000000000000, 0.875000000000000 ] mass: 208.980400 reduced_to: 17 - symbol: Bi # 26 coordinates: [ 0.375000000000000, 0.375000000000000, 0.625000000000000 ] mass: 208.980400 reduced_to: 18 - symbol: Bi # 27 coordinates: [ 0.125000000000000, 0.625000000000000, 0.125000000000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 28 coordinates: [ 0.375000000000000, 0.625000000000000, 0.375000000000000 ] mass: 208.980400 reduced_to: 20 - symbol: Bi # 29 coordinates: [ 0.125000000000000, 0.875000000000000, 0.375000000000000 ] mass: 208.980400 reduced_to: 17 - symbol: Bi # 30 coordinates: [ 0.375000000000000, 0.875000000000000, 0.125000000000000 ] mass: 208.980400 reduced_to: 18 - symbol: Bi # 31 coordinates: [ 0.125000000000000, 0.125000000000000, 0.625000000000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 32 coordinates: [ 0.375000000000000, 0.125000000000000, 0.875000000000000 ] mass: 208.980400 reduced_to: 20 - symbol: O # 33 coordinates: [ 0.750000000000000, 0.550607830000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.449392170000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.500000000000000, 0.699392170000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.750000000000000, 0.750000000000000, 0.050607830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.250000000000000, 0.449392170000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.550607830000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.800607830000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.000000000000000, 0.800607830000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.250000000000000, 0.750000000000000, 0.949392170000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.699392170000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.000000000000000, 0.500000000000000, 0.300607830000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.500000000000000, 0.500000000000000, 0.199392170000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.750000000000000, 0.050607830000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 48 coordinates: [ 0.449392170000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 49 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 50 coordinates: [ 0.500000000000000, 0.199392170000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 51 coordinates: [ 0.750000000000000, 0.250000000000000, 0.550607830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 52 coordinates: [ 0.250000000000000, 0.949392170000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 53 coordinates: [ 0.550607830000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 54 coordinates: [ 0.800607830000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 55 coordinates: [ 0.000000000000000, 0.300607830000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 56 coordinates: [ 0.250000000000000, 0.250000000000000, 0.449392170000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 57 coordinates: [ 0.699392170000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 58 coordinates: [ 0.000000000000000, 0.000000000000000, 0.800607830000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 59 coordinates: [ 0.500000000000000, 0.000000000000000, 0.699392170000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 60 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 61 coordinates: [ 0.250000000000000, 0.550607830000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 62 coordinates: [ 0.949392170000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 63 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 64 coordinates: [ 0.000000000000000, 0.699392170000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 65 coordinates: [ 0.250000000000000, 0.750000000000000, 0.550607830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 66 coordinates: [ 0.750000000000000, 0.449392170000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 67 coordinates: [ 0.050607830000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 68 coordinates: [ 0.300607830000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 69 coordinates: [ 0.500000000000000, 0.800607830000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 70 coordinates: [ 0.750000000000000, 0.750000000000000, 0.449392170000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 71 coordinates: [ 0.199392170000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 72 coordinates: [ 0.500000000000000, 0.500000000000000, 0.800607830000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.500000000000000, 0.699392170000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 74 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 75 coordinates: [ 0.250000000000000, 0.050607830000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 76 coordinates: [ 0.949392170000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 77 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 78 coordinates: [ 0.000000000000000, 0.199392170000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 79 coordinates: [ 0.250000000000000, 0.250000000000000, 0.050607830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 80 coordinates: [ 0.750000000000000, 0.949392170000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 81 coordinates: [ 0.050607830000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 82 coordinates: [ 0.300607830000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 83 coordinates: [ 0.500000000000000, 0.300607830000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 84 coordinates: [ 0.750000000000000, 0.250000000000000, 0.949392170000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 85 coordinates: [ 0.199392170000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 86 coordinates: [ 0.500000000000000, 0.000000000000000, 0.300607830000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 87 coordinates: [ 0.000000000000000, 0.000000000000000, 0.199392170000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 88 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1406650800000000, 0.0107105200000000, -0.0107105200000000 ] - [ -0.0185560400000000, -0.0130156700000000, 0.0130156700000000 ] - [ 0.0226629200000000, 0.0129766900000000, -0.0303562800000000 ] - [ 0.0227593600000000, 0.0305306500000000, -0.0130204600000000 ] - [ -0.0000365800000000, -0.0019594200000000, 0.0019594200000000 ] - [ -0.0185410100000000, -0.0130014000000000, 0.0130014000000000 ] - [ 0.0016162400000000, -0.0005252500000000, 0.0053559100000000 ] - [ 0.0015936200000000, -0.0053765300000000, 0.0005275700000000 ] - [ 0.0117167400000000, -0.0019743200000000, 0.0005307600000000 ] - [ 0.0096685600000000, 0.0005393900000000, -0.0005152500000000 ] - [ 0.0227593600000000, 0.0130204600000000, -0.0305306500000000 ] - [ 0.0016162400000000, -0.0053559100000000, 0.0005252500000000 ] - [ 0.0117167400000000, -0.0005307600000000, 0.0019743200000000 ] - [ 0.0096685600000000, 0.0005152500000000, -0.0005393900000000 ] - [ 0.0015936200000000, -0.0005275700000000, 0.0053765300000000 ] - [ 0.0226629200000000, 0.0303562800000000, -0.0129766900000000 ] - [ 0.0162291300000000, -0.0026009000000000, 0.0211789300000000 ] - [ 0.0141265300000000, 0.0001919700000000, -0.0001919700000000 ] - [ -0.0002058600000000, 0.0026217200000000, 0.0004816700000000 ] - [ 0.0071883600000000, 0.0000227100000000, -0.0000227100000000 ] - [ -0.0002058600000000, -0.0004816700000000, -0.0026217200000000 ] - [ 0.0020269400000000, 0.0000271700000000, -0.0000271700000000 ] - [ 0.0162291300000000, -0.0211789300000000, 0.0026009000000000 ] - [ 0.0071851000000000, 0.0000128500000000, -0.0000128500000000 ] - [ 0.0161571700000000, -0.0025590800000000, 0.0210108800000000 ] - [ -0.0077382200000000, 0.0008069000000000, 0.0004506800000000 ] - [ 0.0161571700000000, -0.0210108800000000, 0.0025590800000000 ] - [ -0.0236311300000000, -0.0024452300000000, 0.0025047200000000 ] - [ -0.0001931900000000, -0.0004943900000000, -0.0026105000000000 ] - [ -0.0077382200000000, -0.0004506800000000, -0.0008069000000000 ] - [ -0.0001931900000000, 0.0026105000000000, 0.0004943900000000 ] - [ -0.0236311300000000, -0.0025047200000000, 0.0024452300000000 ] - [ -0.0094636500000000, -0.0009315600000000, -0.0039447300000000 ] - [ 0.0029781600000000, 0.0030163500000000, -0.0030163500000000 ] - [ -0.0012990500000000, 0.0002589600000000, -0.0002589600000000 ] - [ 0.0063012600000000, -0.0017814500000000, 0.0061662400000000 ] - [ -0.0066442400000000, -0.0066998600000000, 0.0026570900000000 ] - [ 0.0149330800000000, -0.0025879000000000, -0.0004761100000000 ] - [ 0.0014601800000000, -0.0076816400000000, -0.0043137700000000 ] - [ -0.0047776900000000, -0.0017156400000000, -0.0019074500000000 ] - [ -0.0048200000000000, 0.0034298600000000, -0.0017960000000000 ] - [ 0.0002873500000000, 0.0036665600000000, -0.0012123700000000 ] - [ -0.0074015900000000, -0.0027512600000000, 0.0027512600000000 ] - [ -0.0094285900000000, 0.0039208800000000, 0.0009116000000000 ] - [ 0.0158371300000000, 0.0015594700000000, 0.0033275500000000 ] - [ 0.0033194600000000, -0.0023592400000000, -0.0030884800000000 ] - [ -0.0021472700000000, 0.0003417900000000, -0.0009725000000000 ] - [ 0.0139085000000000, -0.0002626000000000, 0.0002626000000000 ] - [ -0.0056287000000000, -0.0001403400000000, 0.0001403400000000 ] - [ 0.0002901300000000, 0.0012189800000000, -0.0036747900000000 ] - [ -0.0048149600000000, 0.0018014700000000, -0.0034389400000000 ] - [ 0.0021275000000000, 0.0016874800000000, -0.0008297500000000 ] - [ 0.0014601800000000, 0.0043137700000000, 0.0076816400000000 ] - [ -0.0047776900000000, 0.0019074500000000, 0.0017156400000000 ] - [ -0.0066292200000000, -0.0026465500000000, 0.0066824100000000 ] - [ 0.0062861700000000, -0.0061485300000000, 0.0017708700000000 ] - [ -0.0015838200000000, 0.0000366200000000, -0.0000366200000000 ] - [ -0.0021565300000000, 0.0009847700000000, -0.0003441700000000 ] - [ 0.0021446100000000, 0.0008211900000000, -0.0016989200000000 ] - [ 0.0033194600000000, 0.0030884800000000, 0.0023592400000000 ] - [ 0.0002873500000000, 0.0012123700000000, -0.0036665600000000 ] - [ -0.0047904400000000, 0.0019046300000000, 0.0017221100000000 ] - [ 0.0033109400000000, 0.0030980400000000, 0.0023423900000000 ] - [ -0.0021565300000000, 0.0003441700000000, -0.0009847700000000 ] - [ 0.0021275000000000, 0.0008297500000000, -0.0016874800000000 ] - [ -0.0066442400000000, -0.0026570900000000, 0.0066998600000000 ] - [ -0.0015957200000000, 0.0000342000000000, -0.0000342000000000 ] - [ 0.0138402700000000, -0.0001499100000000, 0.0001499100000000 ] - [ 0.0021446100000000, 0.0016989200000000, -0.0008211900000000 ] - [ -0.0021472700000000, 0.0009725000000000, -0.0003417900000000 ] - [ 0.0014643800000000, 0.0042990700000000, 0.0076724100000000 ] - [ 0.0063012600000000, -0.0061662400000000, 0.0017814500000000 ] - [ -0.0048200000000000, 0.0017960000000000, -0.0034298600000000 ] - [ -0.0056288400000000, -0.0001503700000000, 0.0001503700000000 ] - [ 0.0062861700000000, -0.0017708700000000, 0.0061485300000000 ] - [ -0.0047904400000000, -0.0017221100000000, -0.0019046300000000 ] - [ 0.0033109400000000, -0.0023423900000000, -0.0030980400000000 ] - [ -0.0094285900000000, -0.0009116000000000, -0.0039208800000000 ] - [ 0.0149330800000000, 0.0004761100000000, 0.0025879000000000 ] - [ -0.0048149600000000, 0.0034389400000000, -0.0018014700000000 ] - [ -0.0074227800000000, -0.0027485100000000, 0.0027485100000000 ] - [ 0.0029613900000000, 0.0030166500000000, -0.0030166500000000 ] - [ 0.0158371300000000, -0.0033275500000000, -0.0015594700000000 ] - [ -0.0094636500000000, 0.0039447300000000, 0.0009315600000000 ] - [ 0.0014643800000000, -0.0076724100000000, -0.0042990700000000 ] - [ 0.0002901300000000, 0.0036747900000000, -0.0012189800000000 ] - [ -0.0066292200000000, -0.0066824100000000, 0.0026465500000000 ] - [ -0.0013058600000000, 0.0002632900000000, -0.0002632900000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0161853500000000, -0.0024611600000000, 0.0210351900000000 ] - [ -0.0001968700000000, -0.0026130600000000, 0.0000275500000000 ] - [ 0.0141221400000000, 0.0004498600000000, 0.0004498600000000 ] - [ -0.0236337400000000, -0.0026180500000000, -0.0025366800000000 ] - [ -0.0001968700000000, 0.0000275500000000, -0.0026130600000000 ] - [ 0.0161853500000000, 0.0210351900000000, -0.0024611600000000 ] - [ 0.0020252300000000, -0.0000293700000000, -0.0000293700000000 ] - [ -0.0236337400000000, -0.0025366800000000, -0.0026180500000000 ] - [ 0.0162022300000000, -0.0024951900000000, 0.0211496100000000 ] - [ 0.0162022300000000, 0.0211496100000000, -0.0024951900000000 ] - [ -0.0077400800000000, -0.0008116700000000, -0.0001928500000000 ] - [ 0.0071818800000000, -0.0004863400000000, -0.0004863400000000 ] - [ -0.0002054900000000, 0.0000140100000000, -0.0026128100000000 ] - [ -0.0002054900000000, -0.0026128100000000, 0.0000140100000000 ] - [ -0.0077400800000000, -0.0001928500000000, -0.0008116700000000 ] - [ 0.0071866100000000, -0.0004890000000000, -0.0004890000000000 ] - [ -0.0930017700000000, 0.0624748100000000, 0.0624748100000000 ] - [ 0.0184902200000000, 0.0061983400000000, -0.0224780300000000 ] - [ -0.0203593500000000, -0.0062117700000000, -0.0062117700000000 ] - [ -0.0009648900000000, 0.0025160000000000, -0.0006414100000000 ] - [ -0.0008135300000000, -0.0012556500000000, -0.0012556500000000 ] - [ -0.0009648900000000, -0.0006414100000000, 0.0025160000000000 ] - [ -0.0203394200000000, -0.0061835100000000, -0.0061835100000000 ] - [ 0.0184902200000000, -0.0224780300000000, 0.0061983400000000 ] - [ 0.0052748000000000, -0.0012558300000000, 0.0000553500000000 ] - [ 0.0184252600000000, 0.0061980300000000, -0.0223105600000000 ] - [ 0.0056020200000000, 0.0006530600000000, 0.0006371900000000 ] - [ 0.0184252600000000, -0.0223105600000000, 0.0061980300000000 ] - [ 0.0052748000000000, 0.0000553500000000, -0.0012558300000000 ] - [ -0.0009609500000000, -0.0006491900000000, 0.0025169900000000 ] - [ 0.0056020200000000, 0.0006371900000000, 0.0006530600000000 ] - [ -0.0009609500000000, 0.0025169900000000, -0.0006491900000000 ] - [ 0.0067366400000000, -0.0102554200000000, 0.0078398200000000 ] - [ 0.0008965200000000, 0.0000481500000000, 0.0000481500000000 ] - [ 0.0039591100000000, 0.0032849300000000, 0.0032849300000000 ] - [ 0.0020553300000000, 0.0007104800000000, 0.0002237800000000 ] - [ 0.0020682700000000, 0.0002442700000000, 0.0007008100000000 ] - [ -0.0066665600000000, 0.0004206500000000, 0.0008850000000000 ] - [ 0.0032004800000000, 0.0016539500000000, -0.0002152300000000 ] - [ -0.0014250500000000, -0.0073830900000000, -0.0073830900000000 ] - [ -0.0010100900000000, 0.0000575300000000, 0.0006705200000000 ] - [ -0.0010136300000000, 0.0006682700000000, 0.0000553100000000 ] - [ 0.0032099000000000, -0.0002198700000000, 0.0016470500000000 ] - [ -0.0066917400000000, 0.0008677300000000, 0.0004306000000000 ] - [ 0.0065235000000000, 0.0079321200000000, -0.0104135400000000 ] - [ 0.0163918700000000, -0.0130787300000000, -0.0130787300000000 ] - [ 0.0020682700000000, 0.0007008100000000, 0.0002442700000000 ] - [ -0.0018395600000000, -0.0075350400000000, -0.0075350400000000 ] - [ 0.0168902600000000, -0.0137745700000000, -0.0137745700000000 ] - [ 0.0065235000000000, -0.0104135400000000, 0.0079321200000000 ] - [ 0.0067366400000000, 0.0078398200000000, -0.0102554200000000 ] - [ -0.0010136300000000, 0.0000553100000000, 0.0006682700000000 ] - [ 0.0032004800000000, -0.0002152300000000, 0.0016539500000000 ] - [ 0.0008929300000000, 0.0000532100000000, 0.0000532100000000 ] - [ -0.0066917400000000, 0.0004306000000000, 0.0008677300000000 ] - [ -0.0066665600000000, 0.0008850000000000, 0.0004206500000000 ] - [ 0.0032099000000000, 0.0016470500000000, -0.0002198700000000 ] - [ -0.0010100900000000, 0.0006705200000000, 0.0000575300000000 ] - [ 0.0020553300000000, 0.0002237800000000, 0.0007104800000000 ] - [ 0.0039705000000000, 0.0032979700000000, 0.0032979700000000 ] - [ -0.0023765500000000, 0.0014447600000000, 0.0003017000000000 ] - [ -0.0029912600000000, -0.0034700800000000, 0.0023359200000000 ] - [ -0.0042907000000000, 0.0037547800000000, -0.0035582800000000 ] - [ -0.0046456600000000, -0.0026106500000000, -0.0023874500000000 ] - [ -0.0023765500000000, 0.0003017000000000, 0.0014447600000000 ] - [ 0.0037165800000000, -0.0013316700000000, -0.0044399500000000 ] - [ -0.0008641600000000, -0.0000633700000000, -0.0000633700000000 ] - [ -0.0029969700000000, 0.0023274800000000, -0.0034690400000000 ] - [ 0.0020248900000000, 0.0024053800000000, 0.0002466900000000 ] - [ 0.0037165800000000, -0.0044399500000000, -0.0013316700000000 ] - [ -0.0047413000000000, 0.0001522800000000, 0.0001522800000000 ] - [ 0.0020248900000000, 0.0002466900000000, 0.0024053800000000 ] - [ -0.0046456600000000, -0.0023874500000000, -0.0026106500000000 ] - [ -0.0042893500000000, -0.0035620200000000, 0.0037607100000000 ] - [ -0.0046522300000000, -0.0026143700000000, -0.0023837900000000 ] - [ -0.0029912600000000, 0.0023359200000000, -0.0034700800000000 ] - [ -0.0042907000000000, -0.0035582800000000, 0.0037547800000000 ] - [ -0.0023814600000000, 0.0014534300000000, 0.0003040100000000 ] - [ -0.0046522300000000, -0.0023837900000000, -0.0026143700000000 ] - [ 0.0020312900000000, 0.0024103400000000, 0.0002443800000000 ] - [ -0.0047457700000000, 0.0001586000000000, 0.0001586000000000 ] - [ -0.0029969700000000, -0.0034690400000000, 0.0023274800000000 ] - [ 0.0037018200000000, -0.0013369000000000, -0.0044175300000000 ] - [ 0.0020312900000000, 0.0002443800000000, 0.0024103400000000 ] - [ -0.0008678600000000, -0.0000659100000000, -0.0000659100000000 ] - [ 0.0037018200000000, -0.0044175300000000, -0.0013369000000000 ] - [ -0.0023814600000000, 0.0003040100000000, 0.0014534300000000 ] - [ -0.0042893500000000, 0.0037607100000000, -0.0035620200000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0094148700000000, -0.0076314100000000, -0.0036479100000000 ] - [ -0.0066417100000000, -0.0030147000000000, -0.0066750500000000 ] - [ -0.0094704600000000, 0.0077110800000000, -0.0036879300000000 ] - [ 0.0149465500000000, 0.0002332000000000, 0.0003446600000000 ] - [ -0.0021573300000000, 0.0000360700000000, -0.0009850300000000 ] - [ -0.0048378200000000, -0.0019118200000000, 0.0008244800000000 ] - [ -0.0021450200000000, -0.0000406700000000, -0.0009746800000000 ] - [ 0.0021338400000000, -0.0017164200000000, 0.0018029500000000 ] - [ 0.0003043800000000, 0.0042858300000000, -0.0039236300000000 ] - [ 0.0158064300000000, 0.0006549800000000, 0.0016756200000000 ] - [ 0.0002775800000000, -0.0043253100000000, -0.0039368300000000 ] - [ -0.0066294600000000, 0.0030099500000000, -0.0067018800000000 ] - [ 0.0063152400000000, -0.0027514200000000, 0.0061712900000000 ] - [ 0.0021279500000000, 0.0017181000000000, 0.0018047700000000 ] - [ 0.0062687700000000, 0.0027433300000000, 0.0061436800000000 ] - [ -0.0048069600000000, 0.0018973000000000, 0.0008355200000000 ] - [ 0.0064944700000000, -0.0075956600000000, 0.0080060000000000 ] - [ 0.0067710000000000, 0.0073237500000000, 0.0077708900000000 ] - [ 0.0037019800000000, 0.0002191400000000, -0.0008669500000000 ] - [ 0.0037176600000000, -0.0002113200000000, -0.0008855500000000 ] - [ 0.0020568100000000, 0.0023376100000000, -0.0023903700000000 ] - [ 0.0020649000000000, -0.0023270000000000, -0.0023836300000000 ] - [ 0.0020129400000000, -0.0001672900000000, -0.0002519600000000 ] - [ 0.0020368300000000, 0.0001412300000000, -0.0002354300000000 ] - [ -0.0023715900000000, 0.0000484200000000, 0.0003042600000000 ] - [ -0.0023860800000000, -0.0000492900000000, 0.0002997600000000 ] - [ -0.0066757400000000, -0.0016554500000000, 0.0044440200000000 ] - [ -0.0066804400000000, 0.0016465600000000, 0.0044118100000000 ] - [ -0.0046553900000000, -0.0034822000000000, 0.0002248700000000 ] - [ -0.0046429300000000, 0.0034619300000000, 0.0002383700000000 ] - [ -0.0010128500000000, 0.0000654200000000, -0.0006718300000000 ] - [ -0.0010198300000000, -0.0000629200000000, -0.0006675100000000 ] - [ -0.1108620500000000, -0.0005688400000000, -0.0629495200000000 ] - [ -0.0000235900000000, -0.0004026200000000, 0.0021957100000000 ] - [ -0.0010089100000000, -0.0000028900000000, 0.0009002500000000 ] - [ 0.0154305800000000, -0.0063950700000000, 0.0139157400000000 ] - [ -0.0070193500000000, -0.0047842800000000, 0.0020475800000000 ] - [ 0.0061463100000000, -0.0000020300000000, -0.0027896700000000 ] - [ 0.0074507100000000, -0.0131798400000000, -0.0047482500000000 ] - [ -0.0054635400000000, -0.0059920500000000, 0.0121159700000000 ] - [ -0.0002104200000000, 0.0002208700000000, -0.0011250500000000 ] - [ 0.0031331400000000, -0.0004831600000000, -0.0002719600000000 ] - [ -0.0053463400000000, 0.0059857900000000, 0.0122194500000000 ] - [ 0.0293220800000000, -0.0122711600000000, 0.0037113500000000 ] - [ 0.0288064600000000, 0.0120776100000000, 0.0035895200000000 ] - [ 0.0004997100000000, -0.0014582400000000, -0.0017951300000000 ] - [ -0.0016817700000000, 0.0000022500000000, -0.0005588400000000 ] - [ 0.0016811600000000, 0.0029326000000000, -0.0002004600000000 ] - [ -0.0036195400000000, 0.0000413600000000, 0.0019645800000000 ] - [ 0.0025557000000000, 0.0037759100000000, -0.0024529700000000 ] - [ -0.0027579100000000, -0.0002176700000000, -0.0018542200000000 ] - [ 0.0007390200000000, -0.0000052100000000, -0.0000021100000000 ] - [ 0.0001870400000000, 0.0004102400000000, 0.0004939500000000 ] - [ -0.0013144900000000, -0.0000011800000000, -0.0006170500000000 ] - [ -0.0002218400000000, -0.0011867400000000, 0.0011212800000000 ] - [ 0.0031514300000000, -0.0022106300000000, 0.0008274300000000 ] - [ -0.0013108600000000, 0.0000128400000000, -0.0006086900000000 ] - [ 0.0004542600000000, -0.0003211800000000, 0.0001554400000000 ] - [ 0.0004581100000000, 0.0003237300000000, 0.0001561900000000 ] - [ -0.0003760400000000, -0.0007654600000000, 0.0000098500000000 ] - [ 0.0035458700000000, 0.0000019100000000, 0.0032303600000000 ] - [ 0.0075276800000000, 0.0133265800000000, -0.0047745800000000 ] - [ 0.0025645000000000, -0.0000022600000000, -0.0000315200000000 ] - [ 0.0155460900000000, 0.0063909300000000, 0.0139376500000000 ] - [ 0.0031389500000000, 0.0004915200000000, -0.0002600200000000 ] - [ -0.0018313000000000, -0.0000005100000000, 0.0027951100000000 ] - [ -0.0000222500000000, 0.0004048400000000, 0.0021964900000000 ] - [ 0.0028653900000000, 0.0000003400000000, 0.0011002900000000 ] - [ -0.0002140400000000, -0.0002168500000000, -0.0011095000000000 ] - [ -0.0070396800000000, 0.0047369000000000, 0.0020105900000000 ] - [ 0.0028720500000000, 0.0000043400000000, 0.0011263200000000 ] - [ 0.0001194300000000, 0.0006076900000000, 0.0014811100000000 ] - [ 0.0001033900000000, -0.0006180000000000, 0.0014825400000000 ] - [ 0.0004809200000000, 0.0014230100000000, -0.0017761300000000 ] - [ 0.0026872100000000, 0.0000112600000000, -0.0005504100000000 ] - [ 0.0001725000000000, -0.0004014800000000, 0.0004820900000000 ] - [ 0.0010382900000000, 0.0000026400000000, -0.0001637000000000 ] - [ 0.0025467800000000, -0.0037531300000000, -0.0024382600000000 ] - [ 0.0031224300000000, 0.0021863500000000, 0.0008162900000000 ] - [ -0.0018203900000000, 0.0000052900000000, -0.0000004100000000 ] - [ 0.0016553000000000, -0.0029404900000000, -0.0002273500000000 ] - [ 0.0019043300000000, 0.0010243400000000, 0.0003153100000000 ] - [ -0.0001971100000000, 0.0011799000000000, 0.0011022300000000 ] - [ -0.0027680700000000, 0.0002216800000000, -0.0018660900000000 ] - [ 0.0018898300000000, -0.0010149900000000, 0.0003147300000000 ] - [ 0.0001022000000000, -0.0011017600000000, -0.0005278500000000 ] - [ 0.0001114600000000, 0.0011237200000000, -0.0005331500000000 ] - [ -0.0003896600000000, 0.0007802900000000, 0.0000007500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009319200000000, 0.0014304300000000, -0.0012224800000000 ] - [ 0.0026442400000000, 0.0029610500000000, 0.0026442400000000 ] - [ 0.0009319200000000, 0.0014304300000000, 0.0012224800000000 ] - [ -0.0031668600000000, 0.0138637400000000, -0.0031668600000000 ] - [ 0.0003413200000000, -0.0015773700000000, -0.0003413200000000 ] - [ -0.0034200500000000, -0.0047784600000000, -0.0016824000000000 ] - [ -0.0003413200000000, -0.0015773700000000, 0.0003413200000000 ] - [ 0.0016824000000000, -0.0047784600000000, 0.0034200500000000 ] - [ 0.0012224800000000, 0.0014304300000000, 0.0009319200000000 ] - [ 0.0031668600000000, 0.0138637400000000, 0.0031668600000000 ] - [ -0.0012224800000000, 0.0014304300000000, -0.0009319200000000 ] - [ -0.0026442400000000, 0.0029610500000000, -0.0026442400000000 ] - [ -0.0017723200000000, -0.0073999800000000, 0.0017723200000000 ] - [ -0.0016824000000000, -0.0047784600000000, -0.0034200500000000 ] - [ 0.0017723200000000, -0.0073999800000000, -0.0017723200000000 ] - [ 0.0034200500000000, -0.0047784600000000, 0.0016824000000000 ] - [ -0.0103853900000000, -0.0018135300000000, 0.0103853900000000 ] - [ 0.0103853900000000, -0.0018135300000000, -0.0103853900000000 ] - [ 0.0013268900000000, 0.0032113100000000, -0.0004181500000000 ] - [ -0.0013268900000000, 0.0032113100000000, 0.0004181500000000 ] - [ 0.0007120800000000, -0.0029900800000000, 0.0026097200000000 ] - [ -0.0007120800000000, -0.0029900800000000, -0.0026097200000000 ] - [ -0.0023909400000000, -0.0047247600000000, -0.0023909400000000 ] - [ 0.0023909400000000, -0.0047247600000000, 0.0023909400000000 ] - [ 0.0014417500000000, 0.0008858700000000, -0.0014417500000000 ] - [ -0.0014417500000000, 0.0008858700000000, 0.0014417500000000 ] - [ -0.0004181500000000, 0.0032113100000000, 0.0013268900000000 ] - [ 0.0004181500000000, 0.0032113100000000, -0.0013268900000000 ] - [ -0.0026097200000000, -0.0029900800000000, -0.0007120800000000 ] - [ 0.0026097200000000, -0.0029900800000000, 0.0007120800000000 ] - [ -0.0000556600000000, -0.0008736500000000, -0.0000556600000000 ] - [ 0.0000556600000000, -0.0008736500000000, 0.0000556600000000 ] - [ 0.0000000000000000, -0.0496090200000000, 0.0000000000000000 ] - [ -0.0001860700000000, 0.0001713500000000, -0.0008181900000000 ] - [ 0.0000000000000000, -0.0010846500000000, 0.0000000000000000 ] - [ -0.0063559600000000, 0.0055003100000000, -0.0063559600000000 ] - [ 0.0020321600000000, 0.0075070200000000, -0.0083255900000000 ] - [ 0.0000000000000000, -0.0004558800000000, 0.0000000000000000 ] - [ -0.0083255900000000, 0.0075070200000000, 0.0020321600000000 ] - [ -0.0022847700000000, -0.0053699200000000, -0.0036948300000000 ] - [ 0.0011818200000000, -0.0001807600000000, -0.0011818200000000 ] - [ -0.0008181900000000, 0.0001713500000000, -0.0001860700000000 ] - [ 0.0022847700000000, -0.0053699200000000, 0.0036948300000000 ] - [ -0.0036948300000000, -0.0053699200000000, -0.0022847700000000 ] - [ 0.0036948300000000, -0.0053699200000000, 0.0022847700000000 ] - [ 0.0023112100000000, -0.0053619700000000, -0.0023112100000000 ] - [ 0.0000000000000000, 0.0025562700000000, 0.0000000000000000 ] - [ 0.0026312200000000, 0.0016784100000000, 0.0018461500000000 ] - [ 0.0000000000000000, 0.0081926900000000, 0.0000000000000000 ] - [ 0.0037486800000000, 0.0069296800000000, -0.0037486800000000 ] - [ -0.0018461500000000, 0.0016784100000000, -0.0026312200000000 ] - [ 0.0000000000000000, 0.0005239900000000, 0.0000000000000000 ] - [ 0.0001877300000000, -0.0000130800000000, -0.0002528500000000 ] - [ -0.0001844900000000, 0.0028662200000000, -0.0014790500000000 ] - [ -0.0002213800000000, -0.0001639700000000, -0.0002213800000000 ] - [ 0.0002528500000000, -0.0000130800000000, -0.0001877300000000 ] - [ 0.0001844900000000, 0.0028662200000000, 0.0014790500000000 ] - [ -0.0001567600000000, 0.0018910500000000, 0.0012002000000000 ] - [ 0.0001567600000000, 0.0018910500000000, -0.0012002000000000 ] - [ 0.0008453100000000, 0.0018217600000000, 0.0008453100000000 ] - [ 0.0000000000000000, -0.0010775400000000, 0.0000000000000000 ] - [ 0.0083255900000000, 0.0075070200000000, -0.0020321600000000 ] - [ 0.0000000000000000, -0.0010846500000000, 0.0000000000000000 ] - [ 0.0063559600000000, 0.0055003100000000, 0.0063559600000000 ] - [ 0.0008181900000000, 0.0001713500000000, 0.0001860700000000 ] - [ 0.0000000000000000, -0.0004558800000000, 0.0000000000000000 ] - [ 0.0001860700000000, 0.0001713500000000, 0.0008181900000000 ] - [ -0.0001779100000000, -0.0013111100000000, 0.0005354000000000 ] - [ -0.0011818200000000, -0.0001807600000000, 0.0011818200000000 ] - [ -0.0020321600000000, 0.0075070200000000, 0.0083255900000000 ] - [ 0.0001779100000000, -0.0013111100000000, -0.0005354000000000 ] - [ 0.0005354000000000, -0.0013111100000000, -0.0001779100000000 ] - [ -0.0005354000000000, -0.0013111100000000, 0.0001779100000000 ] - [ -0.0023112100000000, -0.0053619700000000, 0.0023112100000000 ] - [ 0.0000000000000000, 0.0025562700000000, 0.0000000000000000 ] - [ -0.0001877300000000, -0.0000130800000000, 0.0002528500000000 ] - [ 0.0000000000000000, 0.0004441500000000, 0.0000000000000000 ] - [ -0.0037486800000000, 0.0069296800000000, 0.0037486800000000 ] - [ -0.0002528500000000, -0.0000130800000000, 0.0001877300000000 ] - [ 0.0000000000000000, 0.0025887900000000, 0.0000000000000000 ] - [ -0.0026312200000000, 0.0016784100000000, -0.0018461500000000 ] - [ 0.0012002000000000, 0.0018910500000000, -0.0001567600000000 ] - [ 0.0002213800000000, -0.0001639700000000, 0.0002213800000000 ] - [ 0.0018461500000000, 0.0016784100000000, 0.0026312200000000 ] - [ -0.0012002000000000, 0.0018910500000000, 0.0001567600000000 ] - [ -0.0014790500000000, 0.0028662200000000, -0.0001844900000000 ] - [ 0.0014790500000000, 0.0028662200000000, 0.0001844900000000 ] - [ -0.0008453100000000, 0.0018217600000000, -0.0008453100000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009143800000000, -0.0014898800000000, 0.0012105300000000 ] - [ -0.0026621000000000, -0.0029720000000000, -0.0026621000000000 ] - [ -0.0009143800000000, -0.0014898800000000, -0.0012105300000000 ] - [ 0.0027405100000000, -0.0138784000000000, 0.0027405100000000 ] - [ -0.0003436500000000, 0.0016023800000000, 0.0003436500000000 ] - [ 0.0034487100000000, 0.0047892300000000, 0.0017008100000000 ] - [ 0.0003436500000000, 0.0016023800000000, -0.0003436500000000 ] - [ -0.0017008100000000, 0.0047892300000000, -0.0034487100000000 ] - [ -0.0012105300000000, -0.0014898800000000, -0.0009143800000000 ] - [ -0.0027405100000000, -0.0138784000000000, -0.0027405100000000 ] - [ 0.0012105300000000, -0.0014898800000000, 0.0009143800000000 ] - [ 0.0026621000000000, -0.0029720000000000, 0.0026621000000000 ] - [ 0.0017725300000000, 0.0074224600000000, -0.0017725300000000 ] - [ 0.0017008100000000, 0.0047892300000000, 0.0034487100000000 ] - [ -0.0017725300000000, 0.0074224600000000, 0.0017725300000000 ] - [ -0.0034487100000000, 0.0047892300000000, -0.0017008100000000 ] - [ 0.0102772400000000, 0.0014525500000000, -0.0102772400000000 ] - [ -0.0102772400000000, 0.0014525500000000, 0.0102772400000000 ] - [ -0.0013449300000000, -0.0031963900000000, 0.0004342500000000 ] - [ 0.0013449300000000, -0.0031963900000000, -0.0004342500000000 ] - [ -0.0007018000000000, 0.0030012600000000, -0.0026133900000000 ] - [ 0.0007018000000000, 0.0030012600000000, 0.0026133900000000 ] - [ 0.0024241900000000, 0.0047519100000000, 0.0024241900000000 ] - [ -0.0024241900000000, 0.0047519100000000, -0.0024241900000000 ] - [ -0.0014555000000000, -0.0008987000000000, 0.0014555000000000 ] - [ 0.0014555000000000, -0.0008987000000000, -0.0014555000000000 ] - [ 0.0004342500000000, -0.0031963900000000, -0.0013449300000000 ] - [ -0.0004342500000000, -0.0031963900000000, 0.0013449300000000 ] - [ 0.0026133900000000, 0.0030012600000000, 0.0007018000000000 ] - [ -0.0026133900000000, 0.0030012600000000, -0.0007018000000000 ] - [ 0.0000562500000000, 0.0008656400000000, 0.0000562500000000 ] - [ -0.0000562500000000, 0.0008656400000000, -0.0000562500000000 ] - [ 0.0000000000000000, 0.0500578100000000, 0.0000000000000000 ] - [ 0.0001898200000000, -0.0001818500000000, 0.0008274300000000 ] - [ 0.0000000000000000, 0.0010831300000000, 0.0000000000000000 ] - [ 0.0064300100000000, -0.0054923000000000, 0.0064300100000000 ] - [ -0.0020313800000000, -0.0074770100000000, 0.0082436700000000 ] - [ 0.0000000000000000, 0.0004623600000000, 0.0000000000000000 ] - [ 0.0082436700000000, -0.0074770100000000, -0.0020313800000000 ] - [ 0.0022540700000000, 0.0054467300000000, 0.0036041800000000 ] - [ -0.0011839000000000, 0.0001692600000000, 0.0011839000000000 ] - [ 0.0008274300000000, -0.0001818500000000, 0.0001898200000000 ] - [ -0.0022540700000000, 0.0054467300000000, -0.0036041800000000 ] - [ 0.0036041800000000, 0.0054467300000000, 0.0022540700000000 ] - [ -0.0036041800000000, 0.0054467300000000, -0.0022540700000000 ] - [ -0.0023293100000000, 0.0054303700000000, 0.0023293100000000 ] - [ 0.0000000000000000, -0.0025705000000000, 0.0000000000000000 ] - [ -0.0026383300000000, -0.0016621200000000, -0.0018712900000000 ] - [ 0.0000000000000000, -0.0083672200000000, 0.0000000000000000 ] - [ -0.0037869800000000, -0.0069935000000000, 0.0037869800000000 ] - [ 0.0018712900000000, -0.0016621200000000, 0.0026383300000000 ] - [ 0.0000000000000000, -0.0005210400000000, 0.0000000000000000 ] - [ -0.0001884500000000, 0.0000338900000000, 0.0002712500000000 ] - [ 0.0001799600000000, -0.0028726800000000, 0.0014827400000000 ] - [ 0.0002224900000000, 0.0001791300000000, 0.0002224900000000 ] - [ -0.0002712500000000, 0.0000338900000000, 0.0001884500000000 ] - [ -0.0001799600000000, -0.0028726800000000, -0.0014827400000000 ] - [ 0.0001600500000000, -0.0019004100000000, -0.0012070800000000 ] - [ -0.0001600500000000, -0.0019004100000000, 0.0012070800000000 ] - [ -0.0008544400000000, -0.0018346300000000, -0.0008544400000000 ] - [ 0.0000000000000000, 0.0010834100000000, 0.0000000000000000 ] - [ -0.0082436700000000, -0.0074770100000000, 0.0020313800000000 ] - [ 0.0000000000000000, 0.0010831300000000, 0.0000000000000000 ] - [ -0.0064300100000000, -0.0054923000000000, -0.0064300100000000 ] - [ -0.0008274300000000, -0.0001818500000000, -0.0001898200000000 ] - [ 0.0000000000000000, 0.0004623600000000, 0.0000000000000000 ] - [ -0.0001898200000000, -0.0001818500000000, -0.0008274300000000 ] - [ 0.0001839800000000, 0.0013152900000000, -0.0005308200000000 ] - [ 0.0011839000000000, 0.0001692600000000, -0.0011839000000000 ] - [ 0.0020313800000000, -0.0074770100000000, -0.0082436700000000 ] - [ -0.0001839800000000, 0.0013152900000000, 0.0005308200000000 ] - [ -0.0005308200000000, 0.0013152900000000, 0.0001839800000000 ] - [ 0.0005308200000000, 0.0013152900000000, -0.0001839800000000 ] - [ 0.0023293100000000, 0.0054303700000000, -0.0023293100000000 ] - [ 0.0000000000000000, -0.0025705000000000, 0.0000000000000000 ] - [ 0.0001884500000000, 0.0000338900000000, -0.0002712500000000 ] - [ 0.0000000000000000, -0.0004387100000000, 0.0000000000000000 ] - [ 0.0037869800000000, -0.0069935000000000, -0.0037869800000000 ] - [ 0.0002712500000000, 0.0000338900000000, -0.0001884500000000 ] - [ 0.0000000000000000, -0.0025967900000000, 0.0000000000000000 ] - [ 0.0026383300000000, -0.0016621200000000, 0.0018712900000000 ] - [ -0.0012070800000000, -0.0019004100000000, 0.0001600500000000 ] - [ -0.0002224900000000, 0.0001791300000000, -0.0002224900000000 ] - [ -0.0018712900000000, -0.0016621200000000, -0.0026383300000000 ] - [ 0.0012070800000000, -0.0019004100000000, -0.0001600500000000 ] - [ 0.0014827400000000, -0.0028726800000000, 0.0001799600000000 ] - [ -0.0014827400000000, -0.0028726800000000, -0.0001799600000000 ] - [ 0.0008544400000000, -0.0018346300000000, 0.0008544400000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013041200000000, 0.0002658600000000, -0.0002658600000000 ] - [ -0.0056336200000000, -0.0030820200000000, 0.0030820200000000 ] - [ -0.0013092200000000, -0.0002627700000000, -0.0002627700000000 ] - [ 0.0033085400000000, -0.0023576200000000, -0.0001426200000000 ] - [ -0.0056336200000000, 0.0030820200000000, -0.0030820200000000 ] - [ -0.0013041200000000, -0.0002658600000000, 0.0002658600000000 ] - [ -0.0056271900000000, -0.0031139500000000, -0.0031139500000000 ] - [ 0.0033085400000000, -0.0001426200000000, -0.0023576200000000 ] - [ 0.0033220400000000, -0.0001508300000000, 0.0023412800000000 ] - [ 0.0033220400000000, 0.0023412800000000, -0.0001508300000000 ] - [ 0.0033085400000000, 0.0001426200000000, 0.0023576200000000 ] - [ -0.0056271900000000, 0.0031139500000000, 0.0031139500000000 ] - [ 0.0033220400000000, -0.0023412800000000, 0.0001508300000000 ] - [ 0.0033220400000000, 0.0001508300000000, -0.0023412800000000 ] - [ 0.0033085400000000, 0.0023576200000000, 0.0001426200000000 ] - [ -0.0013092200000000, 0.0002627700000000, 0.0002627700000000 ] - [ 0.0039718300000000, -0.0035645200000000, -0.0035645200000000 ] - [ 0.0039618800000000, 0.0035579700000000, -0.0035579700000000 ] - [ 0.0164421200000000, 0.0130597400000000, 0.0130597400000000 ] - [ 0.0168390600000000, -0.0137943400000000, 0.0137943400000000 ] - [ 0.0164421200000000, -0.0130597400000000, -0.0130597400000000 ] - [ 0.0168390600000000, 0.0137943400000000, -0.0137943400000000 ] - [ 0.0039718300000000, 0.0035645200000000, 0.0035645200000000 ] - [ 0.0039618800000000, -0.0035579700000000, 0.0035579700000000 ] - [ -0.0042848100000000, 0.0037543700000000, 0.0032872300000000 ] - [ -0.0042951000000000, -0.0037629300000000, 0.0033005100000000 ] - [ -0.0042848100000000, -0.0032872300000000, -0.0037543700000000 ] - [ -0.0042951000000000, 0.0033005100000000, -0.0037629300000000 ] - [ -0.0042848100000000, 0.0032872300000000, 0.0037543700000000 ] - [ -0.0042951000000000, -0.0033005100000000, 0.0037629300000000 ] - [ -0.0042848100000000, -0.0037543700000000, -0.0032872300000000 ] - [ -0.0042951000000000, 0.0037629300000000, -0.0033005100000000 ] - [ -0.0010153900000000, 0.0000026200000000, -0.0000308100000000 ] - [ 0.0081818500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.1076705900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004977900000000, 0.0023284400000000, -0.0017854400000000 ] - [ -0.0036258000000000, 0.0019677200000000, -0.0000153700000000 ] - [ 0.0010417000000000, -0.0000004100000000, 0.0001653700000000 ] - [ -0.0010792100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0053776100000000, 0.0014354000000000, 0.0014354000000000 ] - [ 0.0004860200000000, 0.0023097400000000, 0.0017826300000000 ] - [ 0.0025683000000000, -0.0008972800000000, 0.0000012100000000 ] - [ -0.0054141300000000, -0.0014474800000000, 0.0014474800000000 ] - [ -0.0003852600000000, -0.0000058800000000, 0.0008518400000000 ] - [ -0.0003837500000000, 0.0000069100000000, 0.0008475200000000 ] - [ 0.0150866600000000, 0.0132714200000000, 0.0132714200000000 ] - [ -0.0036258000000000, -0.0000153700000000, 0.0019677200000000 ] - [ 0.0004394400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0036067900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003837500000000, 0.0008475200000000, 0.0000069100000000 ] - [ -0.0010153900000000, -0.0000308100000000, 0.0000026200000000 ] - [ 0.0025683000000000, 0.0000012100000000, -0.0008972800000000 ] - [ -0.0010792100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0053776100000000, -0.0014354000000000, -0.0014354000000000 ] - [ -0.0003852600000000, 0.0008518400000000, -0.0000058800000000 ] - [ 0.0010417000000000, 0.0001653700000000, -0.0000004100000000 ] - [ -0.0054141300000000, 0.0014474800000000, -0.0014474800000000 ] - [ 0.0004860200000000, 0.0017826300000000, 0.0023097400000000 ] - [ 0.0004977900000000, -0.0017854400000000, 0.0023284400000000 ] - [ 0.0150866600000000, -0.0132714200000000, -0.0132714200000000 ] - [ 0.0025683000000000, -0.0000012100000000, 0.0008972800000000 ] - [ -0.0010882700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0042135000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004860200000000, -0.0023097400000000, -0.0017826300000000 ] - [ 0.0025683000000000, 0.0008972800000000, -0.0000012100000000 ] - [ -0.0036258000000000, 0.0000153700000000, -0.0019677200000000 ] - [ 0.0083830000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0018325500000000, 0.0007717000000000, -0.0007717000000000 ] - [ 0.0004977900000000, -0.0023284400000000, 0.0017854400000000 ] - [ -0.0036258000000000, -0.0019677200000000, 0.0000153700000000 ] - [ 0.0018283300000000, -0.0007725900000000, -0.0007725900000000 ] - [ 0.0004977900000000, 0.0017854400000000, -0.0023284400000000 ] - [ 0.0004860200000000, -0.0017826300000000, -0.0023097400000000 ] - [ 0.0151047000000000, -0.0132347700000000, 0.0132347700000000 ] - [ 0.0010417000000000, 0.0000004100000000, -0.0001653700000000 ] - [ -0.0010882700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0042135000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003852600000000, -0.0008518400000000, 0.0000058800000000 ] - [ 0.0010417000000000, -0.0001653700000000, 0.0000004100000000 ] - [ -0.0010153900000000, -0.0000026200000000, 0.0000308100000000 ] - [ 0.0004413900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0018325500000000, -0.0007717000000000, 0.0007717000000000 ] - [ -0.0003837500000000, -0.0008475200000000, -0.0000069100000000 ] - [ -0.0010153900000000, 0.0000308100000000, -0.0000026200000000 ] - [ 0.0018283300000000, 0.0007725900000000, 0.0007725900000000 ] - [ -0.0003837500000000, -0.0000069100000000, -0.0008475200000000 ] - [ -0.0003852600000000, 0.0000058800000000, -0.0008518400000000 ] - [ 0.0151047000000000, 0.0132347700000000, -0.0132347700000000 ]