# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/51f12c99-1caa-40cb-a622-7250c51925d4/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 Cd3(BO3)2 / Pnnm (58) / materials id 5560](https://mdr.nims.go.jp/datasets/c861e98d-8a9a-48e3-9d32-2faf691a7b4f) ## 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: "Pnnm" number: 58 Hall_symbol: "-P 2 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.785650250000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.980837300000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.060240540000001 ] # c points: - symbol: B # 1 coordinates: [ 0.034975980000000, 0.239767490000000, 0.500000000000000 ] mass: 10.811000 - symbol: B # 2 coordinates: [ 0.465024020000000, 0.739767490000000, 0.000000000000000 ] mass: 10.811000 - symbol: B # 3 coordinates: [ 0.965024020000000, 0.760232510000000, 0.500000000000000 ] mass: 10.811000 - symbol: B # 4 coordinates: [ 0.534975980000000, 0.260232510000000, 0.000000000000000 ] mass: 10.811000 - symbol: O # 5 coordinates: [ 0.319571370000000, 0.783551340000000, 0.869009960000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.819571370000000, 0.716448660000000, 0.630990040000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.319571370000000, 0.783551340000000, 0.130990040000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.680428630000000, 0.216448660000000, 0.130990040000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.819571370000000, 0.716448660000000, 0.369009960000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.180428630000000, 0.283551340000000, 0.369009960000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.742426180000000, 0.676377410000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.242426180000000, 0.823622590000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.757573820000000, 0.176377410000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.257573820000000, 0.323622590000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.680428630000000, 0.216448660000000, 0.869009960000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.180428630000000, 0.283551340000000, 0.630990040000000 ] mass: 15.999400 - symbol: Cd # 17 coordinates: [ 0.000000000000000, 0.500000000000000, 0.188689670000000 ] mass: 112.411000 - symbol: Cd # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.311310330000000 ] mass: 112.411000 - symbol: Cd # 19 coordinates: [ 0.000000000000000, 0.500000000000000, 0.811310330000000 ] mass: 112.411000 - symbol: Cd # 20 coordinates: [ 0.500000000000000, 0.000000000000000, 0.688689670000000 ] mass: 112.411000 - symbol: Cd # 21 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 112.411000 - symbol: Cd # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 reciprocal_lattice: # without 2pi - [ 0.208958019863654, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.167200669377848, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.110372345588962 ] # c*unit_cell: lattice: - [ 4.785650250000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.980837300000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.060240540000001 ] # c points: - symbol: B # 1 coordinates: [ 0.034975980000000, 0.239767490000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.465024020000000, 0.739767490000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 3 coordinates: [ 0.965024020000000, 0.760232510000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 4 coordinates: [ 0.534975980000000, 0.260232510000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.319571370000000, 0.783551340000000, 0.869009960000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.819571370000000, 0.716448660000000, 0.630990040000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.319571370000000, 0.783551340000000, 0.130990040000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.680428630000000, 0.216448660000000, 0.130990040000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.819571370000000, 0.716448660000000, 0.369009960000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.180428630000000, 0.283551340000000, 0.369009960000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.742426180000000, 0.676377410000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.242426180000000, 0.823622590000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.757573820000000, 0.176377410000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.257573820000000, 0.323622590000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.680428630000000, 0.216448660000000, 0.869009960000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.180428630000000, 0.283551340000000, 0.630990040000000 ] mass: 15.999400 reduced_to: 16 - symbol: Cd # 17 coordinates: [ 0.000000000000000, 0.500000000000000, 0.188689670000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.311310330000000 ] mass: 112.411000 reduced_to: 18 - symbol: Cd # 19 coordinates: [ 0.000000000000000, 0.500000000000000, 0.811310330000000 ] mass: 112.411000 reduced_to: 19 - symbol: Cd # 20 coordinates: [ 0.500000000000000, 0.000000000000000, 0.688689670000000 ] mass: 112.411000 reduced_to: 20 - symbol: Cd # 21 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 22supercell: lattice: - [ 9.571300500000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.961674600000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.060240540000001 ] # c points: - symbol: B # 1 coordinates: [ 0.017487990000000, 0.119883745000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.517487990000000, 0.119883745000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 3 coordinates: [ 0.017487990000000, 0.619883745000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 4 coordinates: [ 0.517487990000000, 0.619883745000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 5 coordinates: [ 0.232512010000000, 0.369883745000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.732512010000000, 0.369883745000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 7 coordinates: [ 0.232512010000000, 0.869883745000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 8 coordinates: [ 0.732512010000000, 0.869883745000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 9 coordinates: [ 0.482512010000000, 0.380116255000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.982512010000000, 0.380116255000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 11 coordinates: [ 0.482512010000000, 0.880116255000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 12 coordinates: [ 0.982512010000000, 0.880116255000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 13 coordinates: [ 0.267487990000000, 0.130116255000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.767487990000000, 0.130116255000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 15 coordinates: [ 0.267487990000000, 0.630116255000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 16 coordinates: [ 0.767487990000000, 0.630116255000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.159785685000000, 0.391775670000000, 0.869009960000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.659785685000000, 0.391775670000000, 0.869009960000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.159785685000000, 0.891775670000000, 0.869009960000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.659785685000000, 0.891775670000000, 0.869009960000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.409785685000000, 0.358224330000000, 0.630990040000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.909785685000000, 0.358224330000000, 0.630990040000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.409785685000000, 0.858224330000000, 0.630990040000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.909785685000000, 0.858224330000000, 0.630990040000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.159785685000000, 0.391775670000000, 0.130990040000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.659785685000000, 0.391775670000000, 0.130990040000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.159785685000000, 0.891775670000000, 0.130990040000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.659785685000000, 0.891775670000000, 0.130990040000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.340214315000000, 0.108224330000000, 0.130990040000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.840214315000000, 0.108224330000000, 0.130990040000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.340214315000000, 0.608224330000000, 0.130990040000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 32 coordinates: [ 0.840214315000000, 0.608224330000000, 0.130990040000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.409785685000000, 0.358224330000000, 0.369009960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.909785685000000, 0.358224330000000, 0.369009960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.409785685000000, 0.858224330000000, 0.369009960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.909785685000000, 0.858224330000000, 0.369009960000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.090214315000000, 0.141775670000000, 0.369009960000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.590214315000000, 0.141775670000000, 0.369009960000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.090214315000000, 0.641775670000000, 0.369009960000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.590214315000000, 0.641775670000000, 0.369009960000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.371213090000000, 0.338188705000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.871213090000000, 0.338188705000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.371213090000000, 0.838188705000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.871213090000000, 0.838188705000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.121213090000000, 0.411811295000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.621213090000000, 0.411811295000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.121213090000000, 0.911811295000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.621213090000000, 0.911811295000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.378786910000000, 0.088188705000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.878786910000000, 0.088188705000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.378786910000000, 0.588188705000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.878786910000000, 0.588188705000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.128786910000000, 0.161811295000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.628786910000000, 0.161811295000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.128786910000000, 0.661811295000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.628786910000000, 0.661811295000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.340214315000000, 0.108224330000000, 0.869009960000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.840214315000000, 0.108224330000000, 0.869009960000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.340214315000000, 0.608224330000000, 0.869009960000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.840214315000000, 0.608224330000000, 0.869009960000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.090214315000000, 0.141775670000000, 0.630990040000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.590214315000000, 0.141775670000000, 0.630990040000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.090214315000000, 0.641775670000000, 0.630990040000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.590214315000000, 0.641775670000000, 0.630990040000000 ] mass: 15.999400 reduced_to: 61 - symbol: Cd # 65 coordinates: [ 0.000000000000000, 0.250000000000000, 0.188689670000000 ] mass: 112.411000 reduced_to: 65 - symbol: Cd # 66 coordinates: [ 0.500000000000000, 0.250000000000000, 0.188689670000000 ] mass: 112.411000 reduced_to: 65 - symbol: Cd # 67 coordinates: [ 0.000000000000000, 0.750000000000000, 0.188689670000000 ] mass: 112.411000 reduced_to: 65 - symbol: Cd # 68 coordinates: [ 0.500000000000000, 0.750000000000000, 0.188689670000000 ] mass: 112.411000 reduced_to: 65 - symbol: Cd # 69 coordinates: [ 0.250000000000000, 0.000000000000000, 0.311310330000000 ] mass: 112.411000 reduced_to: 69 - symbol: Cd # 70 coordinates: [ 0.750000000000000, 0.000000000000000, 0.311310330000000 ] mass: 112.411000 reduced_to: 69 - symbol: Cd # 71 coordinates: [ 0.250000000000000, 0.500000000000000, 0.311310330000000 ] mass: 112.411000 reduced_to: 69 - symbol: Cd # 72 coordinates: [ 0.750000000000000, 0.500000000000000, 0.311310330000000 ] mass: 112.411000 reduced_to: 69 - symbol: Cd # 73 coordinates: [ 0.000000000000000, 0.250000000000000, 0.811310330000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 74 coordinates: [ 0.500000000000000, 0.250000000000000, 0.811310330000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 75 coordinates: [ 0.000000000000000, 0.750000000000000, 0.811310330000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 76 coordinates: [ 0.500000000000000, 0.750000000000000, 0.811310330000000 ] mass: 112.411000 reduced_to: 73 - symbol: Cd # 77 coordinates: [ 0.250000000000000, 0.000000000000000, 0.688689670000000 ] mass: 112.411000 reduced_to: 77 - symbol: Cd # 78 coordinates: [ 0.750000000000000, 0.000000000000000, 0.688689670000000 ] mass: 112.411000 reduced_to: 77 - symbol: Cd # 79 coordinates: [ 0.250000000000000, 0.500000000000000, 0.688689670000000 ] mass: 112.411000 reduced_to: 77 - symbol: Cd # 80 coordinates: [ 0.750000000000000, 0.500000000000000, 0.688689670000000 ] mass: 112.411000 reduced_to: 77 - symbol: Cd # 81 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 81 - symbol: Cd # 82 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 81 - symbol: Cd # 83 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 81 - symbol: Cd # 84 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 81 - symbol: Cd # 85 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 86 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 87 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 88 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 85born_effective_charge:- # 1 (B) - [ 2.869899090000000, 0.715524340000000, 0.000000000000000 ] - [ 0.739265340000000, 0.981061420000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.422171210000000 ]- # 2 (B) - [ 2.869899090000000, -0.715524340000000, 0.000000000000000 ] - [ -0.739265340000000, 0.981061420000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.422171210000000 ]- # 3 (B) - [ 2.869899090000000, 0.715524340000000, 0.000000000000000 ] - [ 0.739265340000000, 0.981061420000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.422171210000000 ]- # 4 (B) - [ 2.869899090000000, -0.715524340000000, 0.000000000000000 ] - [ -0.739265340000000, 0.981061420000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.422171210000000 ]- # 5 (O) - [ -1.825548760000000, -0.008614520000000, -0.370660810000000 ] - [ 0.054299370000000, -1.501866030000000, 0.220867080000000 ] - [ -0.341459230000000, 0.146523290000000, -2.339501570000000 ]- # 6 (O) - [ -1.825548760000000, 0.008614520000000, 0.370660810000000 ] - [ -0.054299370000000, -1.501866030000000, 0.220867080000000 ] - [ 0.341459230000000, 0.146523290000000, -2.339501570000000 ]- # 7 (O) - [ -1.825548760000000, -0.008614520000000, 0.370660810000000 ] - [ 0.054299370000000, -1.501866030000000, -0.220867080000000 ] - [ 0.341459230000000, -0.146523290000000, -2.339501570000000 ]- # 8 (O) - [ -1.825548760000000, -0.008614520000000, -0.370660810000000 ] - [ 0.054299370000000, -1.501866030000000, 0.220867080000000 ] - [ -0.341459230000000, 0.146523290000000, -2.339501570000000 ]- # 9 (O) - [ -1.825548760000000, 0.008614520000000, -0.370660810000000 ] - [ -0.054299370000000, -1.501866030000000, -0.220867080000000 ] - [ -0.341459230000000, -0.146523290000000, -2.339501570000000 ]- # 10 (O) - [ -1.825548760000000, 0.008614520000000, 0.370660810000000 ] - [ -0.054299370000000, -1.501866030000000, 0.220867080000000 ] - [ 0.341459230000000, 0.146523290000000, -2.339501570000000 ]- # 11 (O) - [ -2.808226670000000, 0.271904320000000, 0.000000000000000 ] - [ 0.270416470000000, -1.755107150000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.296666820000000 ]- # 12 (O) - [ -2.808226670000000, -0.271904320000000, 0.000000000000000 ] - [ -0.270416470000000, -1.755107150000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.296666820000000 ]- # 13 (O) - [ -2.808226670000000, -0.271904320000000, 0.000000000000000 ] - [ -0.270416470000000, -1.755107150000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.296666820000000 ]- # 14 (O) - [ -2.808226670000000, 0.271904320000000, 0.000000000000000 ] - [ 0.270416470000000, -1.755107150000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.296666820000000 ]- # 15 (O) - 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