# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b1a363fd-540f-41f8-912c-ba1b09846b0c/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 Na2U2O7 / P2_1/m (11) / materials id 674492](https://mdr.nims.go.jp/datasets/b85256d0-e605-4a31-b2cc-48a3242444a1) ## 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: "P2_1/m" number: 11 Hall_symbol: "-P 2yb"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.467116840000000, 0.000000000000000, -0.011116630000000 ] # a - [ 0.000000000000000, 7.774053780000000, 0.000000000000000 ] # b - [ -2.412576990000000, 0.000000000000000, 6.395711660000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.489484780000000, 0.250000000000000, 0.508431960000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.510515220000000, 0.750000000000000, 0.491568040000000 ] mass: 22.989769 - symbol: U # 5 coordinates: [ 0.995353250000000, 0.750000000000000, 0.962844480000000 ] mass: 238.028910 - symbol: U # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 238.028910 - symbol: U # 7 coordinates: [ 0.004646750000000, 0.250000000000000, 0.037155520000000 ] mass: 238.028910 - symbol: U # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 238.028910 - symbol: O # 9 coordinates: [ 0.689129590000000, 0.021608020000000, 0.397596680000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.985609430000000, 0.955388610000000, 0.180225530000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.694925970000000, 0.250000000000000, 0.931354030000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.305074030000000, 0.750000000000000, 0.068645970000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.014390570000000, 0.044611390000000, 0.819774470000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.689129590000000, 0.478391980000000, 0.397596680000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.310870410000000, 0.978391980000000, 0.602403320000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.044168680000000, 0.250000000000000, 0.384976540000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.985609430000000, 0.544611390000000, 0.180225530000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.688665660000000, 0.750000000000000, 0.867498920000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.311334340000000, 0.250000000000000, 0.132501080000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.014390570000000, 0.455388610000000, 0.819774470000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.955831320000000, 0.750000000000000, 0.615023460000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.310870410000000, 0.521608020000000, 0.602403320000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.154728739716177, 0.000000000000000, 0.058366451925218 ] # a* - [ 0.000000000000000, 0.128633018023706, 0.000000000000000 ] # b* - [ 0.000268939914935, 0.000000000000000, 0.156456214952390 ] # c*unit_cell: lattice: - [ 6.467116840000000, 0.000000000000000, -0.011116630000000 ] # a - [ 0.000000000000000, 7.774053780000000, 0.000000000000000 ] # b - [ -2.412576990000000, 0.000000000000000, 6.395711660000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.489484780000000, 0.250000000000000, 0.508431960000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.510515220000000, 0.750000000000000, 0.491568040000000 ] mass: 22.989769 reduced_to: 4 - symbol: U # 5 coordinates: [ 0.995353250000000, 0.750000000000000, 0.962844480000000 ] mass: 238.028910 reduced_to: 5 - symbol: U # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 238.028910 reduced_to: 6 - symbol: U # 7 coordinates: [ 0.004646750000000, 0.250000000000000, 0.037155520000000 ] mass: 238.028910 reduced_to: 7 - symbol: U # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 238.028910 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.689129590000000, 0.021608020000000, 0.397596680000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.985609430000000, 0.955388610000000, 0.180225530000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.694925970000000, 0.250000000000000, 0.931354030000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.305074030000000, 0.750000000000000, 0.068645970000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.014390570000000, 0.044611390000000, 0.819774470000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.689129590000000, 0.478391980000000, 0.397596680000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.310870410000000, 0.978391980000000, 0.602403320000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.044168680000000, 0.250000000000000, 0.384976540000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.985609430000000, 0.544611390000000, 0.180225530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.688665660000000, 0.750000000000000, 0.867498920000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.311334340000000, 0.250000000000000, 0.132501080000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.014390570000000, 0.455388610000000, 0.819774470000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.955831320000000, 0.750000000000000, 0.615023460000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.310870410000000, 0.521608020000000, 0.602403320000000 ] mass: 15.999400 reduced_to: 22supercell: lattice: - [ 12.934233680000000, 0.000000000000000, -0.022233260000000 ] # a - [ 0.000000000000000, 7.774053780000000, 0.000000000000000 ] # b - [ -4.825153980000000, 0.000000000000000, 12.791423320000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 5 coordinates: [ 0.244742390000000, 0.250000000000000, 0.254215980000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.744742390000000, 0.250000000000000, 0.254215980000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 7 coordinates: [ 0.244742390000000, 0.250000000000000, 0.754215980000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 8 coordinates: [ 0.744742390000000, 0.250000000000000, 0.754215980000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 9 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 12 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 13 coordinates: [ 0.255257610000000, 0.750000000000000, 0.245784020000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.755257610000000, 0.750000000000000, 0.245784020000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 15 coordinates: [ 0.255257610000000, 0.750000000000000, 0.745784020000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 16 coordinates: [ 0.755257610000000, 0.750000000000000, 0.745784020000000 ] mass: 22.989769 reduced_to: 13 - symbol: U # 17 coordinates: [ 0.497676625000000, 0.750000000000000, 0.481422240000000 ] mass: 238.028910 reduced_to: 17 - symbol: U # 18 coordinates: [ 0.997676625000000, 0.750000000000000, 0.481422240000000 ] mass: 238.028910 reduced_to: 17 - symbol: U # 19 coordinates: [ 0.497676625000000, 0.750000000000000, 0.981422240000000 ] mass: 238.028910 reduced_to: 17 - symbol: U # 20 coordinates: [ 0.997676625000000, 0.750000000000000, 0.981422240000000 ] mass: 238.028910 reduced_to: 17 - symbol: U # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 238.028910 reduced_to: 21 - symbol: U # 22 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 238.028910 reduced_to: 21 - symbol: U # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 238.028910 reduced_to: 21 - symbol: U # 24 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 238.028910 reduced_to: 21 - symbol: U # 25 coordinates: [ 0.002323375000000, 0.250000000000000, 0.018577760000000 ] mass: 238.028910 reduced_to: 25 - symbol: U # 26 coordinates: [ 0.502323375000000, 0.250000000000000, 0.018577760000000 ] mass: 238.028910 reduced_to: 25 - symbol: U # 27 coordinates: [ 0.002323375000000, 0.250000000000000, 0.518577760000000 ] mass: 238.028910 reduced_to: 25 - symbol: U # 28 coordinates: [ 0.502323375000000, 0.250000000000000, 0.518577760000000 ] mass: 238.028910 reduced_to: 25 - symbol: U # 29 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 238.028910 reduced_to: 29 - symbol: U # 30 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 238.028910 reduced_to: 29 - symbol: U # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 238.028910 reduced_to: 29 - symbol: U # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 238.028910 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.344564795000000, 0.021608020000000, 0.198798340000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.844564795000000, 0.021608020000000, 0.198798340000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.344564795000000, 0.021608020000000, 0.698798340000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.844564795000000, 0.021608020000000, 0.698798340000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.492804715000000, 0.955388610000000, 0.090112765000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.992804715000000, 0.955388610000000, 0.090112765000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.492804715000000, 0.955388610000000, 0.590112765000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.992804715000000, 0.955388610000000, 0.590112765000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.347462985000000, 0.250000000000000, 0.465677015000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.847462985000000, 0.250000000000000, 0.465677015000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.347462985000000, 0.250000000000000, 0.965677015000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.847462985000000, 0.250000000000000, 0.965677015000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.152537015000000, 0.750000000000000, 0.034322985000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.652537015000000, 0.750000000000000, 0.034322985000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.152537015000000, 0.750000000000000, 0.534322985000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.652537015000000, 0.750000000000000, 0.534322985000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.007195285000000, 0.044611390000000, 0.409887235000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.507195285000000, 0.044611390000000, 0.409887235000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.007195285000000, 0.044611390000000, 0.909887235000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.507195285000000, 0.044611390000000, 0.909887235000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.344564795000000, 0.478391980000000, 0.198798340000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.844564795000000, 0.478391980000000, 0.198798340000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.344564795000000, 0.478391980000000, 0.698798340000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.844564795000000, 0.478391980000000, 0.698798340000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.155435205000000, 0.978391980000000, 0.301201660000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.655435205000000, 0.978391980000000, 0.301201660000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.155435205000000, 0.978391980000000, 0.801201660000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.655435205000000, 0.978391980000000, 0.801201660000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.022084340000000, 0.250000000000000, 0.192488270000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.522084340000000, 0.250000000000000, 0.192488270000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.022084340000000, 0.250000000000000, 0.692488270000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.522084340000000, 0.250000000000000, 0.692488270000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.492804715000000, 0.544611390000000, 0.090112765000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.992804715000000, 0.544611390000000, 0.090112765000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.492804715000000, 0.544611390000000, 0.590112765000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.992804715000000, 0.544611390000000, 0.590112765000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.344332830000000, 0.750000000000000, 0.433749460000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.844332830000000, 0.750000000000000, 0.433749460000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.344332830000000, 0.750000000000000, 0.933749460000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.844332830000000, 0.750000000000000, 0.933749460000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.155667170000000, 0.250000000000000, 0.066250540000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.655667170000000, 0.250000000000000, 0.066250540000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.155667170000000, 0.250000000000000, 0.566250540000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.655667170000000, 0.250000000000000, 0.566250540000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.007195285000000, 0.455388610000000, 0.409887235000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.507195285000000, 0.455388610000000, 0.409887235000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.007195285000000, 0.455388610000000, 0.909887235000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.507195285000000, 0.455388610000000, 0.909887235000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.477915660000000, 0.750000000000000, 0.307511730000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.977915660000000, 0.750000000000000, 0.307511730000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.477915660000000, 0.750000000000000, 0.807511730000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.977915660000000, 0.750000000000000, 0.807511730000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.155435205000000, 0.521608020000000, 0.301201660000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.655435205000000, 0.521608020000000, 0.301201660000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.155435205000000, 0.521608020000000, 0.801201660000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.655435205000000, 0.521608020000000, 0.801201660000000 ] mass: 15.999400 reduced_to: 85born_effective_charge:- # 1 (Na) - [ 1.532402230000000, 0.080371410000000, 0.189258150000000 ] - [ -0.016016500000000, 1.045289080000000, -0.000899620000000 ] - [ 0.175417370000000, -0.000280990000000, 1.129534840000000 ]- # 2 (Na) - [ 1.520229460000000, 0.000000000000000, 0.155540990000000 ] - [ 0.000000000000000, 1.071112190000000, 0.000000000000000 ] - [ 0.180149650000000, 0.000000000000000, 1.115019560000000 ]- # 3 (Na) - [ 1.532402230000000, -0.080371410000000, 0.189258150000000 ] - [ 0.016016500000000, 1.045289080000000, 0.000899620000000 ] - [ 0.175417370000000, 0.000280990000000, 1.129534840000000 ]- # 4 (Na) - [ 1.520229460000000, 0.000000000000000, 0.155540990000000 ] - [ 0.000000000000000, 1.071112190000000, 0.000000000000000 ] - [ 0.180149650000000, 0.000000000000000, 1.115019560000000 ]- # 5 (U) - [ 4.751915440000000, 0.000000000000000, -0.548197630000000 ] - [ 0.000000000000000, 6.968632800000000, 0.000000000000000 ] - [ -0.516700620000000, 0.000000000000000, 5.928802090000000 ]- # 6 (U) - [ 4.848846650000000, 0.292061280000000, -0.873701690000000 ] - [ 0.548051690000000, 5.413880840000000, -0.716679920000000 ] - [ -0.894587260000000, -1.218236830000000, 6.751904970000000 ]- # 7 (U) - [ 4.751915440000000, 0.000000000000000, -0.548197630000000 ] - [ 0.000000000000000, 6.968632800000000, 0.000000000000000 ] - [ -0.516700620000000, 0.000000000000000, 5.928802090000000 ]- # 8 (U) - [ 4.848846650000000, -0.292061280000000, -0.873701690000000 ] - [ -0.548051690000000, 5.413880840000000, 0.716679920000000 ] - [ -0.894587260000000, 1.218236830000000, 6.751904970000000 ]- # 9 (O) - [ -2.567305160000000, 0.087527560000000, -0.592365280000000 ] - [ 0.162547480000000, -0.874394760000000, 0.090246180000000 ] - [ -0.595513620000000, 0.121774110000000, -1.166186900000000 ]- # 10 (O) - [ -0.865847620000000, 0.279492340000000, 1.244641540000000 ] - [ 0.383425820000000, -3.337282780000000, -1.087306930000000 ] - [ 1.228400270000000, -0.830171200000000, -3.739815700000000 ]- # 11 (O) - [ -2.555651220000000, 0.000000000000000, -0.683901740000000 ] - [ 0.000000000000000, -0.948834820000000, 0.000000000000000 ] - [ -0.484842290000000, 0.000000000000000, -1.033158210000000 ]- # 12 (O) - [ -2.555651220000000, 0.000000000000000, -0.683901740000000 ] - [ 0.000000000000000, -0.948834820000000, 0.000000000000000 ] - [ -0.484842290000000, 0.000000000000000, -1.033158210000000 ]- # 13 (O) - [ -0.865847620000000, 0.279492340000000, 1.244641540000000 ] - [ 0.383425820000000, -3.337282780000000, -1.087306930000000 ] - [ 1.228400270000000, -0.830171200000000, -3.739815700000000 ]- # 14 (O) - [ -2.567305160000000, -0.087527560000000, -0.592365280000000 ] - [ -0.162547480000000, -0.874394760000000, -0.090246180000000 ] - [ -0.595513620000000, -0.121774110000000, -1.166186900000000 ]- # 15 (O) - [ -2.567305160000000, 0.087527560000000, -0.592365280000000 ] - 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