# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/477bef31-0381-43e3-a035-e054da5bc1fb/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 TaTl3S4 / I-43m (217) / materials id 7562](https://mdr.nims.go.jp/datasets/b52aea57-2d6b-4cf1-962e-d98fb155404f) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "I-43m" number: 217 Hall_symbol: "I -4 2 3"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ -3.784515110000000, 3.784515110000000, 3.784515110000000 ] # a - [ 3.784515110000000, -3.784515110000000, 3.784515110000000 ] # b - [ 3.784515110000000, 3.784515110000000, -3.784515110000000 ] # c points: - symbol: S # 1 coordinates: [ 0.000000000000000, 0.346861260000000, 0.000000000000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.653138740000000, 0.653138740000000, 0.653138740000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.346861260000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.346861260000000, 0.000000000000000, 0.000000000000000 ] mass: 32.065000 - symbol: Ta # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 180.947880 - symbol: Tl # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 204.383300 - symbol: Tl # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 204.383300 - symbol: Tl # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 204.383300 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.132117321629613, 0.132117321629613 ] # a* - [ 0.132117321629613, 0.000000000000000, 0.132117321629613 ] # b* - [ 0.132117321629613, 0.132117321629613, 0.000000000000000 ] # c*unit_cell: lattice: - [ 7.569030220000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.569030220000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.569030220000000 ] # c points: - symbol: S # 1 coordinates: [ 0.173430630000000, 0.826569370000000, 0.173430630000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.326569370000000, 0.326569370000000, 0.326569370000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.173430630000000, 0.173430630000000, 0.826569370000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.826569370000000, 0.173430630000000, 0.173430630000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.673430630000000, 0.326569370000000, 0.673430630000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 6 coordinates: [ 0.826569370000000, 0.826569370000000, 0.826569370000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 7 coordinates: [ 0.673430630000000, 0.673430630000000, 0.326569370000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 8 coordinates: [ 0.326569370000000, 0.673430630000000, 0.673430630000000 ] mass: 32.065000 reduced_to: 4 - symbol: Ta # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 9 - symbol: Ta # 10 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 9 - symbol: Tl # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 11 - symbol: Tl # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 12 - symbol: Tl # 13 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 13 - symbol: Tl # 14 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 11 - symbol: Tl # 15 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 12 - symbol: Tl # 16 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 13supercell: lattice: - [ 15.138060440000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 15.138060440000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.138060440000000 ] # c points: - symbol: S # 1 coordinates: [ 0.086715315000000, 0.413284685000000, 0.086715315000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.586715315000000, 0.413284685000000, 0.086715315000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.086715315000000, 0.913284685000000, 0.086715315000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 4 coordinates: [ 0.586715315000000, 0.913284685000000, 0.086715315000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 5 coordinates: [ 0.086715315000000, 0.413284685000000, 0.586715315000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 6 coordinates: [ 0.586715315000000, 0.413284685000000, 0.586715315000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 7 coordinates: [ 0.086715315000000, 0.913284685000000, 0.586715315000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 8 coordinates: [ 0.586715315000000, 0.913284685000000, 0.586715315000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 9 coordinates: [ 0.163284685000000, 0.163284685000000, 0.163284685000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.663284685000000, 0.163284685000000, 0.163284685000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 11 coordinates: [ 0.163284685000000, 0.663284685000000, 0.163284685000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 12 coordinates: [ 0.663284685000000, 0.663284685000000, 0.163284685000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 13 coordinates: [ 0.163284685000000, 0.163284685000000, 0.663284685000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 14 coordinates: [ 0.663284685000000, 0.163284685000000, 0.663284685000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 15 coordinates: [ 0.163284685000000, 0.663284685000000, 0.663284685000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 16 coordinates: [ 0.663284685000000, 0.663284685000000, 0.663284685000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 17 coordinates: [ 0.086715315000000, 0.086715315000000, 0.413284685000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.586715315000000, 0.086715315000000, 0.413284685000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 19 coordinates: [ 0.086715315000000, 0.586715315000000, 0.413284685000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 20 coordinates: [ 0.586715315000000, 0.586715315000000, 0.413284685000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 21 coordinates: [ 0.086715315000000, 0.086715315000000, 0.913284685000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 22 coordinates: [ 0.586715315000000, 0.086715315000000, 0.913284685000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 23 coordinates: [ 0.086715315000000, 0.586715315000000, 0.913284685000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 24 coordinates: [ 0.586715315000000, 0.586715315000000, 0.913284685000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 25 coordinates: [ 0.413284685000000, 0.086715315000000, 0.086715315000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.913284685000000, 0.086715315000000, 0.086715315000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 27 coordinates: [ 0.413284685000000, 0.586715315000000, 0.086715315000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 28 coordinates: [ 0.913284685000000, 0.586715315000000, 0.086715315000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 29 coordinates: [ 0.413284685000000, 0.086715315000000, 0.586715315000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 30 coordinates: [ 0.913284685000000, 0.086715315000000, 0.586715315000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 31 coordinates: [ 0.413284685000000, 0.586715315000000, 0.586715315000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 32 coordinates: [ 0.913284685000000, 0.586715315000000, 0.586715315000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 33 coordinates: [ 0.336715315000000, 0.163284685000000, 0.336715315000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 34 coordinates: [ 0.836715315000000, 0.163284685000000, 0.336715315000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 35 coordinates: [ 0.336715315000000, 0.663284685000000, 0.336715315000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 36 coordinates: [ 0.836715315000000, 0.663284685000000, 0.336715315000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 37 coordinates: [ 0.336715315000000, 0.163284685000000, 0.836715315000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 38 coordinates: [ 0.836715315000000, 0.163284685000000, 0.836715315000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 39 coordinates: [ 0.336715315000000, 0.663284685000000, 0.836715315000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 40 coordinates: [ 0.836715315000000, 0.663284685000000, 0.836715315000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 41 coordinates: [ 0.413284685000000, 0.413284685000000, 0.413284685000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 42 coordinates: [ 0.913284685000000, 0.413284685000000, 0.413284685000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 43 coordinates: [ 0.413284685000000, 0.913284685000000, 0.413284685000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 44 coordinates: [ 0.913284685000000, 0.913284685000000, 0.413284685000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 45 coordinates: [ 0.413284685000000, 0.413284685000000, 0.913284685000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 46 coordinates: [ 0.913284685000000, 0.413284685000000, 0.913284685000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 47 coordinates: [ 0.413284685000000, 0.913284685000000, 0.913284685000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 48 coordinates: [ 0.913284685000000, 0.913284685000000, 0.913284685000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 49 coordinates: [ 0.336715315000000, 0.336715315000000, 0.163284685000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 50 coordinates: [ 0.836715315000000, 0.336715315000000, 0.163284685000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 51 coordinates: [ 0.336715315000000, 0.836715315000000, 0.163284685000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 52 coordinates: [ 0.836715315000000, 0.836715315000000, 0.163284685000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 53 coordinates: [ 0.336715315000000, 0.336715315000000, 0.663284685000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 54 coordinates: [ 0.836715315000000, 0.336715315000000, 0.663284685000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 55 coordinates: [ 0.336715315000000, 0.836715315000000, 0.663284685000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 56 coordinates: [ 0.836715315000000, 0.836715315000000, 0.663284685000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 57 coordinates: [ 0.163284685000000, 0.336715315000000, 0.336715315000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 58 coordinates: [ 0.663284685000000, 0.336715315000000, 0.336715315000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 59 coordinates: [ 0.163284685000000, 0.836715315000000, 0.336715315000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 60 coordinates: [ 0.663284685000000, 0.836715315000000, 0.336715315000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 61 coordinates: [ 0.163284685000000, 0.336715315000000, 0.836715315000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 62 coordinates: [ 0.663284685000000, 0.336715315000000, 0.836715315000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 63 coordinates: [ 0.163284685000000, 0.836715315000000, 0.836715315000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 64 coordinates: [ 0.663284685000000, 0.836715315000000, 0.836715315000000 ] mass: 32.065000 reduced_to: 25 - symbol: Ta # 65 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 66 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 67 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 68 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 69 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 70 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 71 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 72 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 73 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 74 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 75 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 76 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 77 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 78 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 79 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Ta # 80 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 65 - symbol: Tl # 81 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 82 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 83 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 84 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 85 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 86 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 87 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 88 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 89 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 89 - symbol: Tl # 90 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 89 - symbol: Tl # 91 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 89 - symbol: Tl # 92 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 89 - symbol: Tl # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 89 - symbol: Tl # 94 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 89 - symbol: Tl # 95 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 89 - symbol: Tl # 96 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 89 - symbol: Tl # 97 coordinates: [ 0.000000000000000, 0.250000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 98 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 99 coordinates: [ 0.000000000000000, 0.750000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 100 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 101 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 102 coordinates: [ 0.500000000000000, 0.250000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 103 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 104 coordinates: [ 0.500000000000000, 0.750000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 105 coordinates: [ 0.000000000000000, 0.250000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 106 coordinates: [ 0.500000000000000, 0.250000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 107 coordinates: [ 0.000000000000000, 0.750000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 108 coordinates: [ 0.500000000000000, 0.750000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 109 coordinates: [ 0.000000000000000, 0.250000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 110 coordinates: [ 0.500000000000000, 0.250000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 111 coordinates: [ 0.000000000000000, 0.750000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 112 coordinates: [ 0.500000000000000, 0.750000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 81 - symbol: Tl # 113 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 89 - symbol: Tl # 114 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 89 - symbol: Tl # 115 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 89 - symbol: Tl # 116 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 204.383300 reduced_to: 89 - symbol: Tl # 117 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 89 - symbol: Tl # 118 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 89 - symbol: Tl # 119 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 89 - symbol: Tl # 120 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 204.383300 reduced_to: 89 - symbol: Tl # 121 coordinates: [ 0.250000000000000, 0.000000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 122 coordinates: [ 0.750000000000000, 0.000000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 123 coordinates: [ 0.250000000000000, 0.500000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 124 coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 125 coordinates: [ 0.250000000000000, 0.000000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 126 coordinates: [ 0.750000000000000, 0.000000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 127 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 97 - symbol: Tl # 128 coordinates: [ 0.750000000000000, 0.500000000000000, 0.750000000000000 ] mass: 204.383300 reduced_to: 97born_effective_charge:- # 1 (S) - [ -2.065726610000000, 0.500357510000000, -0.500357510000000 ] - [ 0.500357510000000, -2.065726610000000, 0.500357510000000 ] - [ -0.500357510000000, 0.500357510000000, -2.065726610000000 ]- # 2 (S) - [ -2.065726610000000, -0.500357510000000, -0.500357510000000 ] - [ -0.500357510000000, -2.065726610000000, -0.500357510000000 ] - [ -0.500357510000000, -0.500357510000000, -2.065726610000001 ]- # 3 (S) - [ -2.065726610000000, -0.500357510000000, 0.500357510000000 ] - [ -0.500357510000000, -2.065726610000000, 0.500357510000000 ] - [ 0.500357510000000, 0.500357510000000, -2.065726610000001 ]- # 4 (S) - [ -2.065726610000000, 0.500357510000000, 0.500357510000000 ] - [ 0.500357510000000, -2.065726610000000, -0.500357510000000 ] - [ 0.500357510000000, -0.500357510000000, -2.065726610000001 ]- # 5 (Ta) - [ 1.825649850000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 1.825649850000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 1.825649850000000 ]- # 6 (Tl) - [ 3.776952230000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.330152180000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.330152180000000 ]- # 7 (Tl) - [ 1.330152180000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 1.330152180000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.776952230000000 ]- # 8 (Tl) - [ 1.330152180000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.776952230000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 1.330152180000000 ]dielectric_constant: - [ 7.378129340000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 7.378129340000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 7.378129340000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0660324300000000, 0.0413572200000000, -0.0413572200000000 ] - [ 0.0050393700000000, -0.0047675500000000, 0.0047675500000000 ] - [ 0.0042306300000000, -0.0047657400000000, 0.0043883900000000 ] - [ 0.0046757100000000, -0.0045088100000000, 0.0045185800000000 ] - [ 0.0042306300000000, -0.0043883900000000, 0.0047657400000000 ] - [ 0.0046757100000000, -0.0045185800000000, 0.0045088100000000 ] - [ 0.0043639000000000, -0.0045173600000000, 0.0045173600000000 ] - [ 0.0047126100000000, -0.0045377600000000, 0.0045377600000000 ] - [ -0.0045278100000000, -0.0053000700000000, -0.0042257900000000 ] - [ -0.0040959400000000, -0.0043300800000000, -0.0045030600000000 ] - [ -0.0045273900000000, -0.0037629000000000, -0.0042233200000000 ] - [ -0.0040962900000000, -0.0045602600000000, -0.0045130700000000 ] - [ -0.0048642100000000, -0.0046345300000000, -0.0045147100000000 ] - [ -0.0042408300000000, -0.0043741800000000, -0.0043536100000000 ] - [ -0.0048645600000000, -0.0046786900000000, -0.0045060800000000 ] - [ -0.0042415900000000, -0.0045468100000000, -0.0043546400000000 ] - [ 0.0043158600000000, 0.0044188600000000, -0.0044188600000000 ] - [ 0.0046690700000000, 0.0044507200000000, -0.0044507200000000 ] - [ 0.0040937800000000, 0.0043441700000000, -0.0046805600000000 ] - [ 0.0046868800000000, 0.0045418300000000, -0.0044788700000000 ] - [ 0.0040937800000000, 0.0046805600000000, -0.0043441700000000 ] - [ 0.0046868800000000, 0.0044788700000000, -0.0045418300000000 ] - [ -0.0072082000000000, -0.0004259800000000, 0.0004259800000000 ] - [ 0.0050289500000000, 0.0048248500000000, -0.0048248500000000 ] - [ -0.0042829500000000, 0.0042421900000000, 0.0044185000000000 ] - [ -0.0043985300000000, 0.0043826600000000, 0.0043441300000000 ] - [ -0.0033066400000000, 0.0043755100000000, 0.0046748700000000 ] - [ -0.0008206100000000, 0.0007050700000000, -0.0004490200000000 ] - [ -0.0043540900000000, 0.0043667700000000, 0.0044502300000000 ] - [ -0.0045389600000000, 0.0045061800000000, 0.0045413300000000 ] - [ -0.0044290100000000, 0.0045060600000000, 0.0044780900000000 ] - [ -0.0045420000000000, 0.0045169200000000, 0.0048232200000000 ] - [ 0.0046938700000000, -0.0046853700000000, 0.0046853700000000 ] - [ 0.0041538700000000, -0.0042068600000000, 0.0042068600000000 ] - [ 0.0047928700000000, -0.0035443200000000, 0.0048439500000000 ] - [ 0.0047952700000000, -0.0048468200000000, 0.0042074700000000 ] - [ 0.0047928700000000, -0.0048439500000000, 0.0035443200000000 ] - [ 0.0047952700000000, -0.0042074700000000, 0.0048468200000000 ] - [ 0.0041524500000000, -0.0035434800000000, 0.0035434800000000 ] - [ 0.0046934700000000, -0.0046849500000000, 0.0046849500000000 ] - [ -0.0042829500000000, -0.0044185000000000, -0.0042421900000000 ] - [ -0.0043985300000000, -0.0043441300000000, -0.0043826600000000 ] - [ -0.0043540900000000, -0.0044502300000000, -0.0043667700000000 ] - [ -0.0045389600000000, -0.0045413300000000, -0.0045061800000000 ] - [ -0.0033066400000000, -0.0046748700000000, -0.0043755100000000 ] - [ -0.0008206100000000, 0.0004490200000000, -0.0007050700000000 ] - [ -0.0044290100000000, -0.0044780900000000, -0.0045060600000000 ] - [ -0.0045420000000000, -0.0048232200000000, -0.0045169200000000 ] - [ 0.0053526300000000, 0.0037576100000000, -0.0037576100000000 ] - [ 0.0053432300000000, 0.0052953200000000, -0.0052953200000000 ] - [ 0.0045895000000000, 0.0045606400000000, -0.0046767800000000 ] - [ 0.0045896700000000, 0.0043311200000000, -0.0046338900000000 ] - [ 0.0045895000000000, 0.0046767800000000, -0.0045606400000000 ] - [ 0.0045896700000000, 0.0046338900000000, -0.0043311200000000 ] - [ 0.0045347000000000, 0.0045481100000000, -0.0045481100000000 ] - [ 0.0045341500000000, 0.0043754500000000, -0.0043754500000000 ] - [ -0.0045278100000000, 0.0042257900000000, 0.0053000700000000 ] - [ -0.0040959400000000, 0.0045030600000000, 0.0043300800000000 ] - [ -0.0048642100000000, 0.0045147100000000, 0.0046345300000000 ] - [ -0.0042408300000000, 0.0043536100000000, 0.0043741800000000 ] - [ -0.0045273900000000, 0.0042233200000000, 0.0037629000000000 ] - [ -0.0040962900000000, 0.0045130700000000, 0.0045602600000000 ] - [ -0.0048645600000000, 0.0045060800000000, 0.0046786900000000 ] - [ -0.0042415900000000, 0.0043546400000000, 0.0045468100000000 ] - [ 0.0000667300000000, -0.0000247600000000, 0.0001445400000000 ] - [ -0.0002394300000000, 0.0000832300000000, 0.0001001000000000 ] - [ 0.0625419000000000, -0.0449081600000000, 0.0449081600000000 ] - [ -0.0000636500000000, -0.0001370300000000, 0.0001370300000000 ] - [ 0.0001331100000000, 0.0000304400000000, -0.0000304400000000 ] - [ -0.0002115300000000, 0.0000715800000000, -0.0000715800000000 ] - [ 0.0000667300000000, -0.0001445400000000, 0.0000247600000000 ] - [ -0.0002394300000000, -0.0001001000000000, -0.0000832300000000 ] - [ -0.0001444800000000, 0.0006331000000000, -0.0006331000000000 ] - [ -0.0000969300000000, -0.0003763900000000, 0.0003763900000000 ] - [ 0.0000436700000000, -0.0002272400000000, -0.0000181500000000 ] - [ -0.0003697900000000, 0.0002354700000000, 0.0000604800000000 ] - [ 0.0000436700000000, 0.0000181500000000, 0.0002272400000000 ] - [ -0.0003697900000000, -0.0000604800000000, -0.0002354700000000 ] - [ 0.0008407000000000, -0.0002120800000000, 0.0002120800000000 ] - [ -0.0002201100000000, 0.0000942600000000, -0.0000942600000000 ] - [ 0.0002383900000000, 0.0001854300000000, 0.0000603200000000 ] - [ -0.0001858000000000, -0.0000029800000000, -0.0000003900000000 ] - [ 0.0011804200000000, 0.0027115400000000, -0.0027115400000000 ] - [ -0.0020118500000000, 0.0000104100000000, -0.0000104100000000 ] - [ 0.0000873100000000, 0.0000430500000000, -0.0000430500000000 ] - [ -0.0001106700000000, 0.0000013500000000, -0.0000013500000000 ] - [ 0.0002383900000000, -0.0000603200000000, -0.0001854300000000 ] - [ -0.0001858000000000, 0.0000003900000000, 0.0000029800000000 ] - [ 0.0001329400000000, 0.0000671800000000, 0.0000564400000000 ] - [ -0.0001219700000000, 0.0000251100000000, -0.0000373800000000 ] - [ 0.0038195400000000, -0.0028342600000000, -0.0012771100000000 ] - [ -0.0002844100000000, -0.0000113500000000, -0.0003064100000000 ] - [ 0.0000903600000000, 0.0000091200000000, -0.0001073200000000 ] - [ -0.0001088400000000, 0.0000593700000000, 0.0000420200000000 ] - [ 0.0002034300000000, -0.0001129900000000, -0.0018069600000000 ] - [ -0.0001631400000000, -0.0000713200000000, 0.0002909100000000 ] - [ 0.0038195400000000, 0.0012771100000000, 0.0028342600000000 ] - [ -0.0002844100000000, 0.0003064100000000, 0.0000113500000000 ] - [ 0.0002034300000000, 0.0018069600000000, 0.0001129900000000 ] - [ -0.0001631400000000, -0.0002909100000000, 0.0000713200000000 ] - [ 0.0001329400000000, -0.0000564400000000, -0.0000671800000000 ] - [ -0.0001219700000000, 0.0000373800000000, -0.0000251100000000 ] - [ 0.0000903600000000, 0.0001073200000000, -0.0000091200000000 ] - [ -0.0001088400000000, -0.0000420200000000, -0.0000593700000000 ] - [ 0.0012444700000000, 0.0004475100000000, -0.0004475100000000 ] - [ -0.0006742200000000, 0.0000184300000000, -0.0000184300000000 ] - [ 0.0006411800000000, 0.0002391900000000, 0.0001888600000000 ] - [ -0.0004830400000000, -0.0000727200000000, -0.0000565400000000 ] - [ 0.0006411800000000, -0.0001888600000000, -0.0002391900000000 ] - [ -0.0004830400000000, 0.0000565400000000, 0.0000727200000000 ] - [ 0.0000607700000000, 0.0003214900000000, -0.0003214900000000 ] - [ -0.0003815200000000, -0.0000508400000000, 0.0000508400000000 ] - [ -0.0006044600000000, 0.0007578700000000, 0.0010220400000000 ] - [ -0.0004307900000000, -0.0002901700000000, 0.0001711800000000 ] - [ 0.0004863100000000, -0.0003053700000000, 0.0003777600000000 ] - [ -0.0003378900000000, 0.0002319500000000, -0.0001233000000000 ] - [ 0.0000503900000000, 0.0000183500000000, -0.0003243600000000 ] - [ -0.0000489500000000, -0.0000087700000000, -0.0000245500000000 ] - [ 0.0000622500000000, -0.0000089200000000, -0.0002311100000000 ] - [ -0.0000401800000000, 0.0000032800000000, 0.0000516600000000 ] - [ 0.0000503900000000, 0.0003243600000000, -0.0000183500000000 ] - [ -0.0000489500000000, 0.0000245500000000, 0.0000087700000000 ] - [ -0.0006044600000000, -0.0010220400000000, -0.0007578700000000 ] - [ -0.0004307900000000, -0.0001711800000000, 0.0002901700000000 ] - [ 0.0000622500000000, 0.0002311100000000, 0.0000089200000000 ] - [ -0.0000401800000000, -0.0000516600000000, -0.0000032800000000 ] - [ 0.0004863100000000, -0.0003777600000000, 0.0003053700000000 ] - [ -0.0003378900000000, 0.0001233000000000, -0.0002319500000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0756637400000000, -0.0517449300000000, 0.0517449300000000 ] - [ 0.0039206500000000, -0.0041900600000000, 0.0041900600000000 ] - [ 0.0047191000000000, -0.0041882000000000, 0.0045639100000000 ] - [ 0.0042817500000000, -0.0044460500000000, 0.0044375700000000 ] - [ 0.0047191000000000, -0.0045639100000000, 0.0041882000000000 ] - [ 0.0042817500000000, -0.0044375700000000, 0.0044460500000000 ] - [ 0.0045887800000000, -0.0044365500000000, 0.0044365500000000 ] - [ 0.0042444000000000, -0.0044168900000000, 0.0044168900000000 ] - [ -0.0044347300000000, -0.0036647500000000, -0.0047310400000000 ] - [ -0.0048543200000000, -0.0046225500000000, -0.0044506200000000 ] - [ -0.0044345700000000, -0.0051892600000000, -0.0047287900000000 ] - [ -0.0048545100000000, -0.0043942500000000, -0.0044395200000000 ] - [ -0.0040938000000000, -0.0043211400000000, -0.0044411600000000 ] - [ -0.0047114600000000, -0.0045795700000000, -0.0046004700000000 ] - [ -0.0040942400000000, -0.0042775200000000, -0.0044536400000000 ] - [ -0.0047120700000000, -0.0044087100000000, -0.0046014000000000 ] - [ 0.0046375600000000, 0.0045372800000000, -0.0045372800000000 ] - [ 0.0042879700000000, 0.0045043400000000, -0.0045043400000000 ] - [ 0.0048576800000000, 0.0046097800000000, -0.0042889800000000 ] - [ 0.0042709100000000, 0.0044140500000000, -0.0044764900000000 ] - [ 0.0048576800000000, 0.0042889800000000, -0.0046097800000000 ] - [ 0.0042709100000000, 0.0044764900000000, -0.0044140500000000 ] - [ 0.0162560900000000, 0.0093844100000000, -0.0093844100000000 ] - [ 0.0039309100000000, 0.0041318600000000, -0.0041318600000000 ] - [ -0.0046705700000000, 0.0047106700000000, 0.0045368900000000 ] - [ -0.0045573600000000, 0.0045842900000000, 0.0046099400000000 ] - [ -0.0056446900000000, 0.0045774900000000, 0.0042836700000000 ] - [ -0.0081534600000000, 0.0082850800000000, 0.0093612200000000 ] - [ -0.0046001500000000, 0.0045875700000000, 0.0045040300000000 ] - [ -0.0044161900000000, 0.0044493000000000, 0.0044138600000000 ] - [ -0.0045250800000000, 0.0044489700000000, 0.0044758900000000 ] - [ -0.0044110300000000, 0.0044354100000000, 0.0041300800000000 ] - [ 0.0042613600000000, -0.0042703100000000, 0.0042703100000000 ] - [ 0.0048052400000000, -0.0047458400000000, 0.0047458400000000 ] - [ 0.0041642300000000, -0.0053978900000000, 0.0041131300000000 ] - [ 0.0041666500000000, -0.0041159700000000, 0.0047463400000000 ] - [ 0.0041642300000000, -0.0041131300000000, 0.0053978900000000 ] - [ 0.0041666500000000, -0.0047463400000000, 0.0041159700000000 ] - [ 0.0048037800000000, -0.0053970000000000, 0.0053970000000000 ] - [ 0.0042610600000000, -0.0042699600000000, 0.0042699600000000 ] - [ -0.0046705700000000, -0.0045368900000000, -0.0047106700000000 ] - [ -0.0045573600000000, -0.0046099400000000, -0.0045842900000000 ] - [ -0.0046001500000000, -0.0045040300000000, -0.0045875700000000 ] - [ -0.0044161900000000, -0.0044138600000000, -0.0044493000000000 ] - [ -0.0056446900000000, -0.0042836700000000, -0.0045774900000000 ] - [ -0.0081534600000000, -0.0093612200000000, -0.0082850800000000 ] - [ -0.0045250800000000, -0.0044758900000000, -0.0044489700000000 ] - [ -0.0044110300000000, -0.0041300800000000, -0.0044354100000000 ] - [ 0.0036173300000000, 0.0051836600000000, -0.0051836600000000 ] - [ 0.0036085400000000, 0.0036601900000000, -0.0036601900000000 ] - [ 0.0043653200000000, 0.0043945000000000, -0.0042753600000000 ] - [ 0.0043655300000000, 0.0046233600000000, -0.0043204800000000 ] - [ 0.0043653200000000, 0.0042753600000000, -0.0043945000000000 ] - [ 0.0043655300000000, 0.0043204800000000, -0.0046233600000000 ] - [ 0.0044222400000000, 0.0044100300000000, -0.0044100300000000 ] - [ 0.0044214400000000, 0.0045804900000000, -0.0045804900000000 ] - [ -0.0044347300000000, 0.0047310400000000, 0.0036647500000000 ] - [ -0.0048543200000000, 0.0044506200000000, 0.0046225500000000 ] - [ -0.0040938000000000, 0.0044411600000000, 0.0043211400000000 ] - [ -0.0047114600000000, 0.0046004700000000, 0.0045795700000000 ] - [ -0.0044345700000000, 0.0047287900000000, 0.0051892600000000 ] - [ -0.0048545100000000, 0.0044395200000000, 0.0043942500000000 ] - [ -0.0040942400000000, 0.0044536400000000, 0.0042775200000000 ] - [ -0.0047120700000000, 0.0046014000000000, 0.0044087100000000 ] - [ -0.0000666000000000, 0.0000248200000000, -0.0001438600000000 ] - [ 0.0002367600000000, -0.0000835400000000, -0.0000994400000000 ] - [ -0.0633776600000000, 0.0462237700000000, -0.0462237700000000 ] - [ 0.0000673900000000, 0.0001355600000000, -0.0001355600000000 ] - [ -0.0001325600000000, -0.0000316200000000, 0.0000316200000000 ] - [ 0.0002102900000000, -0.0000715900000000, 0.0000715900000000 ] - [ -0.0000666000000000, 0.0001438600000000, -0.0000248200000000 ] - [ 0.0002367600000000, 0.0000994400000000, 0.0000835400000000 ] - [ 0.0001457200000000, -0.0006222400000000, 0.0006222400000000 ] - [ 0.0000905500000000, 0.0003749400000000, -0.0003749400000000 ] - [ -0.0000396200000000, 0.0002255300000000, 0.0000198300000000 ] - [ 0.0003657800000000, -0.0002328300000000, -0.0000649000000000 ] - [ -0.0000396200000000, -0.0000198300000000, -0.0002255300000000 ] - [ 0.0003657800000000, 0.0000649000000000, 0.0002328300000000 ] - [ -0.0008321500000000, 0.0002033600000000, -0.0002033600000000 ] - [ 0.0002202400000000, -0.0000954600000000, 0.0000954600000000 ] - [ -0.0002327900000000, -0.0001844400000000, -0.0000596200000000 ] - [ 0.0001807700000000, 0.0000019500000000, -0.0000000700000000 ] - [ -0.0010793900000000, -0.0026048200000000, 0.0026048200000000 ] - [ 0.0020055100000000, -0.0000094800000000, 0.0000094800000000 ] - [ -0.0000853400000000, -0.0000435300000000, 0.0000435300000000 ] - [ 0.0001088400000000, -0.0000018400000000, 0.0000018400000000 ] - [ -0.0002327900000000, 0.0000596200000000, 0.0001844400000000 ] - [ 0.0001807700000000, 0.0000000700000000, -0.0000019500000000 ] - [ -0.0001318400000000, -0.0000678900000000, -0.0000535600000000 ] - [ 0.0001207300000000, -0.0000253200000000, 0.0000367200000000 ] - [ -0.0038235700000000, 0.0028584200000000, 0.0013713100000000 ] - [ 0.0002815100000000, 0.0000116900000000, 0.0003021700000000 ] - [ -0.0000902300000000, -0.0000100900000000, 0.0001041800000000 ] - [ 0.0001074200000000, -0.0000594000000000, -0.0000416000000000 ] - [ -0.0002036000000000, 0.0001153300000000, 0.0018119000000000 ] - [ 0.0001610300000000, 0.0000716300000000, -0.0002869200000000 ] - [ -0.0038235700000000, -0.0013713100000000, -0.0028584200000000 ] - [ 0.0002815100000000, -0.0003021700000000, -0.0000116900000000 ] - [ -0.0002036000000000, -0.0018119000000000, -0.0001153300000000 ] - [ 0.0001610300000000, 0.0002869200000000, -0.0000716300000000 ] - [ -0.0001318400000000, 0.0000535600000000, 0.0000678900000000 ] - [ 0.0001207300000000, -0.0000367200000000, 0.0000253200000000 ] - [ -0.0000902300000000, -0.0001041800000000, 0.0000100900000000 ] - [ 0.0001074200000000, 0.0000416000000000, 0.0000594000000000 ] - [ -0.0012383400000000, -0.0004577200000000, 0.0004577200000000 ] - [ 0.0006685200000000, -0.0000179200000000, 0.0000179200000000 ] - [ -0.0006374100000000, -0.0002356500000000, -0.0001892200000000 ] - [ 0.0004783000000000, 0.0000714400000000, 0.0000559600000000 ] - [ -0.0006374100000000, 0.0001892200000000, 0.0002356500000000 ] - [ 0.0004783000000000, -0.0000559600000000, -0.0000714400000000 ] - [ -0.0000578600000000, -0.0003223800000000, 0.0003223800000000 ] - [ 0.0003754700000000, 0.0000497400000000, -0.0000497400000000 ] - [ 0.0006057600000000, -0.0007585500000000, -0.0010148000000000 ] - [ 0.0004265000000000, 0.0002918100000000, -0.0001723400000000 ] - [ -0.0004850300000000, 0.0002933800000000, -0.0003834200000000 ] - [ 0.0003373800000000, -0.0002330600000000, 0.0001218400000000 ] - [ -0.0000496900000000, -0.0000183900000000, 0.0003242300000000 ] - [ 0.0000474700000000, 0.0000080000000000, 0.0000258300000000 ] - [ -0.0000609800000000, 0.0000098000000000, 0.0002320400000000 ] - [ 0.0000388200000000, -0.0000030800000000, -0.0000491900000000 ] - [ -0.0000496900000000, -0.0003242300000000, 0.0000183900000000 ] - [ 0.0000474700000000, -0.0000258300000000, -0.0000080000000000 ] - [ 0.0006057600000000, 0.0010148000000000, 0.0007585500000000 ] - [ 0.0004265000000000, 0.0001723400000000, -0.0002918100000000 ] - [ -0.0000609800000000, -0.0002320400000000, -0.0000098000000000 ] - [ 0.0000388200000000, 0.0000491900000000, 0.0000030800000000 ] - [ -0.0004850300000000, 0.0003834200000000, -0.0002933800000000 ] - [ 0.0003373800000000, -0.0001218400000000, 0.0002330600000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0045437300000000, -0.0046164700000000, 0.0046207200000000 ] - [ 0.0042391500000000, -0.0043941600000000, 0.0044465800000000 ] - [ 0.0679164500000000, -0.0507939900000000, 0.0507939900000000 ] - [ 0.0044150100000000, -0.0044998700000000, 0.0044998700000000 ] - [ 0.0046104200000000, -0.0045775600000000, 0.0045775600000000 ] - [ 0.0042665400000000, -0.0044062400000000, 0.0044062400000000 ] - [ 0.0045437300000000, -0.0046207200000000, 0.0046164700000000 ] - [ 0.0042391500000000, -0.0044465800000000, 0.0043941600000000 ] - [ -0.0046272900000000, -0.0051098100000000, -0.0051098100000000 ] - [ -0.0045724100000000, -0.0042545500000000, -0.0042545500000000 ] - [ -0.0044339400000000, -0.0041033800000000, -0.0044957000000000 ] - [ -0.0048449900000000, -0.0047104200000000, -0.0042682800000000 ] - [ -0.0044339400000000, -0.0044957000000000, -0.0041033800000000 ] - [ -0.0048449900000000, -0.0042682800000000, -0.0047104200000000 ] - [ -0.0036395700000000, -0.0044139000000000, -0.0044139000000000 ] - [ -0.0046978600000000, -0.0045723900000000, -0.0045723900000000 ] - [ 0.0045437300000000, 0.0046207200000000, -0.0046164700000000 ] - [ 0.0042391500000000, 0.0044465800000000, -0.0043941600000000 ] - [ 0.0046104200000000, 0.0045775600000000, -0.0045775600000000 ] - [ 0.0042665400000000, 0.0044062400000000, -0.0044062400000000 ] - [ 0.0679164500000000, 0.0507939900000000, -0.0507939900000000 ] - [ 0.0044150100000000, 0.0044998700000000, -0.0044998700000000 ] - [ 0.0045437300000000, 0.0046164700000000, -0.0046207200000000 ] - [ 0.0042391500000000, 0.0043941600000000, -0.0044465800000000 ] - [ -0.0045467400000000, 0.0044504500000000, 0.0044504500000000 ] - [ 0.0580054900000000, -0.0403421800000000, -0.0403421800000000 ] - [ -0.0047154500000000, 0.0045609400000000, 0.0045081800000000 ] - [ -0.0044105400000000, 0.0043438800000000, 0.0043325300000000 ] - [ -0.0047154500000000, 0.0045081800000000, 0.0045609400000000 ] - [ -0.0044105400000000, 0.0043325300000000, 0.0043438800000000 ] - [ -0.0046880000000000, 0.0045492200000000, 0.0045492200000000 ] - [ -0.0043450200000000, 0.0043774800000000, 0.0043774800000000 ] - [ 0.0041092200000000, -0.0046837000000000, 0.0042419000000000 ] - [ 0.0045176900000000, -0.0044576300000000, 0.0048548400000000 ] - [ 0.0042572900000000, -0.0043829500000000, 0.0043829500000000 ] - [ 0.0053121100000000, -0.0045396900000000, 0.0045396900000000 ] - [ 0.0043850300000000, -0.0047071900000000, 0.0047071900000000 ] - [ 0.0043363400000000, -0.0038545900000000, 0.0038545900000000 ] - [ 0.0041092200000000, -0.0042419000000000, 0.0046837000000000 ] - [ 0.0045176900000000, -0.0048548400000000, 0.0044576300000000 ] - [ -0.0046880000000000, -0.0045492200000000, -0.0045492200000000 ] - [ -0.0043450200000000, -0.0043774800000000, -0.0043774800000000 ] - [ -0.0047154500000000, -0.0045081800000000, -0.0045609400000000 ] - [ -0.0044105400000000, -0.0043325300000000, -0.0043438800000000 ] - [ -0.0047154500000000, -0.0045609400000000, -0.0045081800000000 ] - [ -0.0044105400000000, -0.0043438800000000, -0.0043325300000000 ] - [ -0.0045467400000000, -0.0044504500000000, -0.0044504500000000 ] - [ 0.0580054900000000, 0.0403421800000000, 0.0403421800000000 ] - [ 0.0041092200000000, 0.0042419000000000, -0.0046837000000000 ] - [ 0.0045176900000000, 0.0048548400000000, -0.0044576300000000 ] - [ 0.0043850300000000, 0.0047071900000000, -0.0047071900000000 ] - [ 0.0043363400000000, 0.0038545900000000, -0.0038545900000000 ] - [ 0.0042572900000000, 0.0043829500000000, -0.0043829500000000 ] - [ 0.0053121100000000, 0.0045396900000000, -0.0045396900000000 ] - [ 0.0041092200000000, 0.0046837000000000, -0.0042419000000000 ] - [ 0.0045176900000000, 0.0044576300000000, -0.0048548400000000 ] - [ -0.0036395700000000, 0.0044139000000000, 0.0044139000000000 ] - [ -0.0046978600000000, 0.0045723900000000, 0.0045723900000000 ] - [ -0.0044339400000000, 0.0044957000000000, 0.0041033800000000 ] - [ -0.0048449900000000, 0.0042682800000000, 0.0047104200000000 ] - [ -0.0044339400000000, 0.0041033800000000, 0.0044957000000000 ] - [ -0.0048449900000000, 0.0047104200000000, 0.0042682800000000 ] - [ -0.0046272900000000, 0.0051098100000000, 0.0051098100000000 ] - [ -0.0045724100000000, 0.0042545500000000, 0.0042545500000000 ] - [ -0.2658725700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008185300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004862700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002941200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004862700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002941200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003388700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003385500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004669000000000, 0.0004173700000000, 0.0004173700000000 ] - [ 0.0004695100000000, -0.0004170200000000, -0.0004170200000000 ] - [ 0.0004585000000000, -0.0004152300000000, 0.0004152300000000 ] - [ 0.0004611800000000, 0.0004153000000000, -0.0004153000000000 ] - [ 0.0004585000000000, 0.0004152300000000, -0.0004152300000000 ] - [ 0.0004611800000000, -0.0004153000000000, 0.0004153000000000 ] - [ 0.0004669000000000, -0.0004173700000000, -0.0004173700000000 ] - [ 0.0004695100000000, 0.0004170200000000, 0.0004170200000000 ] - [ 0.0120221000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0118920500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000093800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000096800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000093800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000096800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000160200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000166200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0034126800000000, 0.0018830400000000, -0.0000115800000000 ] - [ 0.0002571900000000, -0.0000286700000000, 0.0000014300000000 ] - [ -0.0001747700000000, -0.0001156100000000, 0.0000003200000000 ] - [ 0.0001454700000000, 0.0000495300000000, 0.0000001500000000 ] - [ -0.0034126800000000, -0.0018830400000000, 0.0000115800000000 ] - [ 0.0002571900000000, 0.0000286700000000, -0.0000014300000000 ] - [ -0.0001747700000000, 0.0001156100000000, -0.0000003200000000 ] - [ 0.0001454700000000, -0.0000495300000000, -0.0000001500000000 ] - [ -0.0034126800000000, -0.0000115800000000, 0.0018830400000000 ] - [ 0.0002571900000000, 0.0000014300000000, -0.0000286700000000 ] - [ -0.0034126800000000, 0.0000115800000000, -0.0018830400000000 ] - [ 0.0002571900000000, -0.0000014300000000, 0.0000286700000000 ] - [ -0.0001747700000000, 0.0000003200000000, -0.0001156100000000 ] - [ 0.0001454700000000, 0.0000001500000000, 0.0000495300000000 ] - [ -0.0001747700000000, -0.0000003200000000, 0.0001156100000000 ] - [ 0.0001454700000000, -0.0000001500000000, -0.0000495300000000 ] - [ -0.0013715300000000, -0.0006227700000000, -0.0006227700000000 ] - [ 0.0005427700000000, 0.0000050900000000, 0.0000050900000000 ] - [ -0.0013607500000000, -0.0006153100000000, 0.0006153100000000 ] - [ 0.0005420200000000, 0.0000046500000000, -0.0000046500000000 ] - [ -0.0013607500000000, 0.0006153100000000, -0.0006153100000000 ] - [ 0.0005420200000000, -0.0000046500000000, 0.0000046500000000 ] - [ -0.0013715300000000, 0.0006227700000000, 0.0006227700000000 ] - [ 0.0005427700000000, -0.0000050900000000, -0.0000050900000000 ] - [ 0.0006381600000000, 0.0007417800000000, 0.0002907900000000 ] - [ 0.0006440300000000, -0.0007441100000000, 0.0002984400000000 ] - [ 0.0006381600000000, -0.0007417800000000, -0.0002907900000000 ] - [ 0.0006440300000000, 0.0007441100000000, -0.0002984400000000 ] - [ -0.0000188600000000, 0.0000295300000000, -0.0000582500000000 ] - [ -0.0000181700000000, -0.0000290500000000, -0.0000607700000000 ] - [ -0.0000188600000000, -0.0000295300000000, 0.0000582500000000 ] - [ -0.0000181700000000, 0.0000290500000000, 0.0000607700000000 ] - [ 0.0006381600000000, 0.0002907900000000, 0.0007417800000000 ] - [ 0.0006440300000000, 0.0002984400000000, -0.0007441100000000 ] - [ -0.0000188600000000, -0.0000582500000000, 0.0000295300000000 ] - [ -0.0000181700000000, -0.0000607700000000, -0.0000290500000000 ] - [ 0.0006381600000000, -0.0002907900000000, -0.0007417800000000 ] - [ 0.0006440300000000, -0.0002984400000000, 0.0007441100000000 ] - [ -0.0000188600000000, 0.0000582500000000, -0.0000295300000000 ] - [ -0.0000181700000000, 0.0000607700000000, 0.0000290500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0046646100000000, -0.0047606700000000, 0.0045460200000000 ] - [ 0.0044750000000000, -0.0046389300000000, 0.0044873800000000 ] - [ 0.0070964800000000, -0.0006633500000000, 0.0016514400000000 ] - [ 0.0044889700000000, -0.0042769000000000, 0.0043667600000000 ] - [ 0.0045215600000000, -0.0045989400000000, 0.0045037700000000 ] - [ 0.0044791200000000, -0.0045857300000000, 0.0045379500000000 ] - [ 0.0044185500000000, -0.0043455200000000, 0.0044663900000000 ] - [ 0.0044779200000000, -0.0043873000000000, 0.0044060800000000 ] - [ -0.0049344700000000, -0.0050807100000000, -0.0052335600000000 ] - [ -0.0044955600000000, -0.0044258800000000, -0.0044953200000000 ] - [ -0.0047148800000000, -0.0049061400000000, -0.0041815200000000 ] - [ -0.0044062300000000, -0.0045264100000000, -0.0044684200000000 ] - [ -0.0042879500000000, -0.0039888400000000, -0.0041864300000000 ] - [ -0.0045344300000000, -0.0044155000000000, -0.0044700200000000 ] - [ -0.0047985800000000, -0.0048143500000000, -0.0047100200000000 ] - [ -0.0044281300000000, -0.0045181000000000, -0.0044819200000000 ] - [ 0.0045385700000000, 0.0046110600000000, -0.0044892100000000 ] - [ 0.0044774900000000, 0.0045686300000000, -0.0045490300000000 ] - [ 0.0044352600000000, 0.0043571800000000, -0.0044529200000000 ] - [ 0.0044763700000000, 0.0043705700000000, -0.0044187800000000 ] - [ 0.0017818100000000, 0.0083074900000000, -0.0073438900000000 ] - [ 0.0044692300000000, 0.0046849000000000, -0.0045944700000000 ] - [ 0.0042947300000000, 0.0041952900000000, -0.0044106200000000 ] - [ 0.0044799900000000, 0.0043158600000000, -0.0044682000000000 ] - [ -0.0017818100000000, 0.0083074900000000, 0.0073438900000000 ] - [ -0.0044692300000000, 0.0046849000000000, 0.0045944700000000 ] - [ -0.0042947300000000, 0.0041952900000000, 0.0044106200000000 ] - [ -0.0044799900000000, 0.0043158600000000, 0.0044682000000000 ] - [ -0.0045385700000000, 0.0046110600000000, 0.0044892100000000 ] - [ -0.0044774900000000, 0.0045686300000000, 0.0045490300000000 ] - [ -0.0044352600000000, 0.0043571800000000, 0.0044529200000000 ] - [ -0.0044763700000000, 0.0043705700000000, 0.0044187800000000 ] - [ 0.0042879500000000, -0.0039888400000000, 0.0041864300000000 ] - [ 0.0045344300000000, -0.0044155000000000, 0.0044700200000000 ] - [ 0.0047985800000000, -0.0048143500000000, 0.0047100200000000 ] - [ 0.0044281300000000, -0.0045181000000000, 0.0044819200000000 ] - [ 0.0049344700000000, -0.0050807100000000, 0.0052335600000000 ] - [ 0.0044955600000000, -0.0044258800000000, 0.0044953200000000 ] - [ 0.0047148800000000, -0.0049061400000000, 0.0041815200000000 ] - [ 0.0044062300000000, -0.0045264100000000, 0.0044684200000000 ] - [ -0.0045215600000000, -0.0045989400000000, -0.0045037700000000 ] - [ -0.0044791200000000, -0.0045857300000000, -0.0045379500000000 ] - [ -0.0044185500000000, -0.0043455200000000, -0.0044663900000000 ] - [ -0.0044779200000000, -0.0043873000000000, -0.0044060800000000 ] - [ -0.0046646100000000, -0.0047606700000000, -0.0045460200000000 ] - [ -0.0044750000000000, -0.0046389300000000, -0.0044873800000000 ] - [ -0.0070964800000000, -0.0006633500000000, -0.0016514400000000 ] - [ -0.0044889700000000, -0.0042769000000000, -0.0043667600000000 ] - [ 0.0042401500000000, 0.0040500000000000, -0.0047802500000000 ] - [ 0.0045503400000000, 0.0044307300000000, -0.0044868900000000 ] - [ 0.0040292500000000, 0.0038707300000000, -0.0037175100000000 ] - [ 0.0044590700000000, 0.0045274800000000, -0.0044585100000000 ] - [ 0.0041546600000000, 0.0041401500000000, -0.0042448600000000 ] - [ 0.0045286800000000, 0.0044392700000000, -0.0044751200000000 ] - [ 0.0046658500000000, 0.0049613300000000, -0.0047685400000000 ] - [ 0.0044221300000000, 0.0045392500000000, -0.0044869100000000 ] - [ -0.0041546600000000, 0.0041401500000000, 0.0042448600000000 ] - [ -0.0045286800000000, 0.0044392700000000, 0.0044751200000000 ] - [ -0.0046658500000000, 0.0049613300000000, 0.0047685400000000 ] - [ -0.0044221300000000, 0.0045392500000000, 0.0044869100000000 ] - [ -0.0042401500000000, 0.0040500000000000, 0.0047802500000000 ] - [ -0.0045503400000000, 0.0044307300000000, 0.0044868900000000 ] - [ -0.0040292500000000, 0.0038707300000000, 0.0037175100000000 ] - [ -0.0044590700000000, 0.0045274800000000, 0.0044585100000000 ] - [ 0.0000128300000000, -0.0034122000000000, 0.0018833200000000 ] - [ -0.0000128300000000, -0.0034122000000000, -0.0018833200000000 ] - [ -0.0000010900000000, 0.0002577700000000, -0.0001156800000000 ] - [ 0.0000010900000000, 0.0002577700000000, 0.0001156800000000 ] - [ -0.0000004400000000, -0.0001744400000000, -0.0000287400000000 ] - [ 0.0000004400000000, -0.0001744400000000, 0.0000287400000000 ] - [ -0.0000001800000000, 0.0001461300000000, 0.0000494700000000 ] - [ 0.0000001800000000, 0.0001461300000000, -0.0000494700000000 ] - [ 0.0006206900000000, 0.0006421700000000, 0.0007452600000000 ] - [ -0.0000044000000000, -0.0000189300000000, 0.0000285000000000 ] - [ 0.0006173100000000, 0.0006413200000000, -0.0007408000000000 ] - [ -0.0000050900000000, -0.0000171300000000, -0.0000302100000000 ] - [ -0.0006206900000000, 0.0006421700000000, -0.0007452600000000 ] - [ 0.0000044000000000, -0.0000189300000000, -0.0000285000000000 ] - [ -0.0006173100000000, 0.0006413200000000, 0.0007408000000000 ] - [ 0.0000050900000000, -0.0000171300000000, 0.0000302100000000 ] - [ 0.0000000000000000, -0.0122017900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000043600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004454600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000441300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001092200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000491300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001478400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000207000000000, 0.0000000000000000 ] - [ 0.0000025400000000, -0.0001854900000000, -0.0003348700000000 ] - [ 0.0000034000000000, -0.0001832600000000, 0.0003280600000000 ] - [ 0.0000166100000000, 0.0001343600000000, -0.0000206000000000 ] - [ 0.0000176500000000, 0.0001343500000000, 0.0000206900000000 ] - [ -0.0000034000000000, -0.0001832600000000, -0.0003280600000000 ] - [ -0.0000025400000000, -0.0001854900000000, 0.0003348700000000 ] - [ -0.0000176500000000, 0.0001343500000000, -0.0000206900000000 ] - [ -0.0000166100000000, 0.0001343600000000, 0.0000206000000000 ] - [ -0.0003195800000000, 0.0002303500000000, 0.0000018100000000 ] - [ 0.0003195800000000, 0.0002303500000000, -0.0000018100000000 ] - [ 0.0003166700000000, 0.0002382700000000, 0.0000041700000000 ] - [ -0.0003166700000000, 0.0002382700000000, -0.0000041700000000 ] - [ -0.0000721500000000, 0.0000048700000000, 0.0000172600000000 ] - [ 0.0000721500000000, 0.0000048700000000, -0.0000172600000000 ] - [ 0.0000714800000000, 0.0000058900000000, 0.0000169200000000 ] - [ -0.0000714800000000, 0.0000058900000000, -0.0000169200000000 ] - [ -0.0005379800000000, -0.0000158800000000, 0.0000154900000000 ] - [ 0.0002608100000000, -0.0000168600000000, 0.0000147000000000 ] - [ 0.0002588600000000, -0.0000141900000000, -0.0000169000000000 ] - [ -0.0005331400000000, -0.0000151500000000, -0.0000161400000000 ] - [ -0.0002608100000000, -0.0000168600000000, -0.0000147000000000 ] - [ 0.0005379800000000, -0.0000158800000000, -0.0000154900000000 ] - [ 0.0005331400000000, -0.0000151500000000, 0.0000161400000000 ] - [ -0.0002588600000000, -0.0000141900000000, 0.0000169000000000 ] - [ 0.0000000000000000, 0.0029577200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000038900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0028959900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000026500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000034800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000071400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000030900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000070300000000, 0.0000000000000000 ] - [ 0.0000000500000000, -0.0016022200000000, -0.0000052300000000 ] - [ 0.0000393900000000, -0.0000935900000000, -0.0000007600000000 ] - [ -0.0000394300000000, 0.0006762100000000, 0.0000001800000000 ] - [ 0.0000000000000000, 0.0001268200000000, 0.0000000100000000 ] - [ -0.0000000500000000, -0.0016022200000000, 0.0000052300000000 ] - [ -0.0000393900000000, -0.0000935900000000, 0.0000007600000000 ] - [ 0.0000394300000000, 0.0006762100000000, -0.0000001800000000 ] - [ 0.0000000000000000, 0.0001268200000000, -0.0000000100000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0047127700000000, -0.0041735300000000, 0.0045323700000000 ] - [ 0.0042956900000000, -0.0047679900000000, 0.0043718700000000 ] - [ 0.0055264800000000, -0.0031924000000000, 0.0031924000000000 ] - [ 0.0024667000000000, -0.0026649100000000, 0.0026649100000000 ] - [ 0.0045640600000000, -0.0044409400000000, 0.0044409400000000 ] - [ 0.0043692000000000, -0.0045204000000000, 0.0045204000000000 ] - [ 0.0047127700000000, -0.0045323700000000, 0.0041735300000000 ] - [ 0.0042956900000000, -0.0043718700000000, 0.0047679900000000 ] - [ -0.0032376600000000, -0.0034536900000000, -0.0034536900000000 ] - [ -0.0051482900000000, -0.0048027600000000, -0.0048027600000000 ] - [ -0.0038402600000000, -0.0043070600000000, -0.0040965100000000 ] - [ -0.0049578200000000, -0.0045027300000000, -0.0047100200000000 ] - [ -0.0038402600000000, -0.0040965100000000, -0.0043070600000000 ] - [ -0.0049578200000000, -0.0047100200000000, -0.0045027300000000 ] - [ -0.0044196500000000, -0.0046019100000000, -0.0046019100000000 ] - [ -0.0048558900000000, -0.0044270900000000, -0.0044270900000000 ] - [ 0.0047127700000000, 0.0045323700000000, -0.0041735300000000 ] - [ 0.0042956900000000, 0.0043718700000000, -0.0047679900000000 ] - [ 0.0045640600000000, 0.0044409400000000, -0.0044409400000000 ] - [ 0.0043692000000000, 0.0045204000000000, -0.0045204000000000 ] - [ 0.0055264800000000, 0.0031924000000000, -0.0031924000000000 ] - [ 0.0024667000000000, 0.0026649100000000, -0.0026649100000000 ] - [ 0.0047127700000000, 0.0041735300000000, -0.0045323700000000 ] - [ 0.0042956900000000, 0.0047679900000000, -0.0043718700000000 ] - [ -0.0032655700000000, 0.0058412400000000, 0.0058412400000000 ] - [ -0.0064833700000000, 0.0062838000000000, 0.0062838000000000 ] - [ -0.0042408000000000, 0.0047822900000000, 0.0044225200000000 ] - [ -0.0046612600000000, 0.0041901300000000, 0.0045836600000000 ] - [ -0.0042408000000000, 0.0044225200000000, 0.0047822900000000 ] - [ -0.0046612600000000, 0.0045836600000000, 0.0041901300000000 ] - [ -0.0043908500000000, 0.0045149600000000, 0.0045149600000000 ] - [ -0.0045882100000000, 0.0044360500000000, 0.0044360500000000 ] - [ 0.0051201500000000, -0.0048578100000000, 0.0046508100000000 ] - [ 0.0039974800000000, -0.0042467500000000, 0.0044522500000000 ] - [ 0.0045387500000000, -0.0043565500000000, 0.0043565500000000 ] - [ 0.0041004900000000, -0.0045281500000000, 0.0045281500000000 ] - [ 0.0057216700000000, -0.0054905800000000, 0.0054905800000000 ] - [ 0.0038059000000000, -0.0041538000000000, 0.0041538000000000 ] - [ 0.0051201500000000, -0.0046508100000000, 0.0048578100000000 ] - [ 0.0039974800000000, -0.0044522500000000, 0.0042467500000000 ] - [ -0.0043908500000000, -0.0045149600000000, -0.0045149600000000 ] - [ -0.0045882100000000, -0.0044360500000000, -0.0044360500000000 ] - [ -0.0042408000000000, -0.0044225200000000, -0.0047822900000000 ] - [ -0.0046612600000000, -0.0045836600000000, -0.0041901300000000 ] - [ -0.0042408000000000, -0.0047822900000000, -0.0044225200000000 ] - [ -0.0046612600000000, -0.0041901300000000, -0.0045836600000000 ] - [ -0.0032655700000000, -0.0058412400000000, -0.0058412400000000 ] - [ -0.0064833700000000, -0.0062838000000000, -0.0062838000000000 ] - [ 0.0051201500000000, 0.0046508100000000, -0.0048578100000000 ] - [ 0.0039974800000000, 0.0044522500000000, -0.0042467500000000 ] - [ 0.0057216700000000, 0.0054905800000000, -0.0054905800000000 ] - [ 0.0038059000000000, 0.0041538000000000, -0.0041538000000000 ] - [ 0.0045387500000000, 0.0043565500000000, -0.0043565500000000 ] - [ 0.0041004900000000, 0.0045281500000000, -0.0045281500000000 ] - [ 0.0051201500000000, 0.0048578100000000, -0.0046508100000000 ] - [ 0.0039974800000000, 0.0042467500000000, -0.0044522500000000 ] - [ -0.0044196500000000, 0.0046019100000000, 0.0046019100000000 ] - [ -0.0048558900000000, 0.0044270900000000, 0.0044270900000000 ] - [ -0.0038402600000000, 0.0040965100000000, 0.0043070600000000 ] - [ -0.0049578200000000, 0.0047100200000000, 0.0045027300000000 ] - [ -0.0038402600000000, 0.0043070600000000, 0.0040965100000000 ] - [ -0.0049578200000000, 0.0045027300000000, 0.0047100200000000 ] - [ -0.0032376600000000, 0.0034536900000000, 0.0034536900000000 ] - [ -0.0051482900000000, 0.0048027600000000, 0.0048027600000000 ] - [ 0.0118692900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0120473100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000116000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000088900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000116000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000088900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000175200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000163500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0013697100000000, -0.0002984900000000, -0.0002984900000000 ] - [ 0.0005426600000000, 0.0000597400000000, 0.0000597400000000 ] - [ -0.0013615700000000, -0.0002910300000000, 0.0002910300000000 ] - [ 0.0005431600000000, 0.0000597300000000, -0.0000597300000000 ] - [ -0.0013615700000000, 0.0002910300000000, -0.0002910300000000 ] - [ 0.0005431600000000, -0.0000597300000000, 0.0000597300000000 ] - [ -0.0013697100000000, 0.0002984900000000, 0.0002984900000000 ] - [ 0.0005426600000000, -0.0000597400000000, -0.0000597400000000 ] - [ -0.0221967500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0026959100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005483800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005681700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005483800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005681700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002063300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002205000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002341800000000, -0.0003311700000000, -0.0026132100000000 ] - [ 0.0002343000000000, -0.0003319600000000, 0.0026239100000000 ] - [ 0.0000057700000000, -0.0000206400000000, -0.0001718500000000 ] - [ 0.0000048600000000, -0.0000205500000000, 0.0001722800000000 ] - [ 0.0002341800000000, 0.0003311700000000, 0.0026132100000000 ] - [ 0.0002343000000000, 0.0003319600000000, -0.0026239100000000 ] - [ 0.0000057700000000, 0.0000206400000000, 0.0001718500000000 ] - [ 0.0000048600000000, 0.0000205500000000, -0.0001722800000000 ] - [ 0.0002341800000000, -0.0026132100000000, -0.0003311700000000 ] - [ 0.0002343000000000, 0.0026239100000000, -0.0003319600000000 ] - [ 0.0002341800000000, 0.0026132100000000, 0.0003311700000000 ] - [ 0.0002343000000000, -0.0026239100000000, 0.0003319600000000 ] - [ 0.0000057700000000, -0.0001718500000000, -0.0000206400000000 ] - [ 0.0000048600000000, 0.0001722800000000, -0.0000205500000000 ] - [ 0.0000057700000000, 0.0001718500000000, 0.0000206400000000 ] - [ 0.0000048600000000, -0.0001722800000000, 0.0000205500000000 ] - [ 0.0001646200000000, -0.0002595300000000, -0.0002595300000000 ] - [ 0.0001598300000000, 0.0005359000000000, 0.0005359000000000 ] - [ 0.0001627200000000, 0.0005350500000000, -0.0005350500000000 ] - [ 0.0001575600000000, -0.0002601100000000, 0.0002601100000000 ] - [ 0.0001627200000000, -0.0005350500000000, 0.0005350500000000 ] - [ 0.0001575600000000, 0.0002601100000000, -0.0002601100000000 ] - [ 0.0001646200000000, 0.0002595300000000, 0.0002595300000000 ] - [ 0.0001598300000000, -0.0005359000000000, -0.0005359000000000 ] - [ -0.0016019500000000, -0.0000116200000000, -0.0000000800000000 ] - [ 0.0006760700000000, 0.0000006100000000, 0.0001358400000000 ] - [ -0.0016019500000000, 0.0000116200000000, 0.0000000800000000 ] - [ 0.0006760700000000, -0.0000006100000000, -0.0001358400000000 ] - [ -0.0000936200000000, 0.0000000900000000, -0.0001355800000000 ] - [ 0.0001268400000000, 0.0000001800000000, 0.0000000100000000 ] - [ -0.0000936200000000, -0.0000000900000000, 0.0001355800000000 ] - [ 0.0001268400000000, -0.0000001800000000, -0.0000000100000000 ] - [ -0.0016019500000000, -0.0000000800000000, -0.0000116200000000 ] - [ 0.0006760700000000, 0.0001358400000000, 0.0000006100000000 ] - [ -0.0000936200000000, -0.0001355800000000, 0.0000000900000000 ] - [ 0.0001268400000000, 0.0000000100000000, 0.0000001800000000 ] - [ -0.0016019500000000, 0.0000000800000000, 0.0000116200000000 ] - [ 0.0006760700000000, -0.0001358400000000, -0.0000006100000000 ] - [ -0.0000936200000000, 0.0001355800000000, -0.0000000900000000 ] - [ 0.0001268400000000, -0.0000000100000000, -0.0000001800000000 ]