# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e38a1bd2-3478-45ef-a39b-c8310f221b85/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 Dy2O3 / C2/m (12) / materials id 555574](https://mdr.nims.go.jp/datasets/5f12ec6c-5e0a-493c-a6fb-1288a2221abc) ## 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: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: O # 9 coordinates: [ 0.128344020000000, 0.128344020000000, 0.783130560000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.205744680000000, 0.205744680000000, 0.124118440000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.471852480000000, 0.471852480000000, 0.843897170000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.528147520000000, 0.528147520000000, 0.156102830000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.174929420000000, 0.174929420000000, 0.470507680000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.825070580000000, 0.825070580000000, 0.529492320000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.072401175447640, -0.288039724226620, 0.012972308936152 ] # a* - [ 0.072401175447640, 0.288039724226620, 0.012972308936152 ] # b* - [ -0.000271124238725, 0.000000000000000, 0.118774971900481 ] # c*unit_cell: lattice: - [ 13.806283790000000, 0.000000000000000, 0.031515210000000 ] # a - [ 0.000000000000000, 3.471743360000000, 0.000000000000000 ] # b - [ -1.507888200000000, 0.000000000000000, 8.415840129999999 ] # c points: - symbol: Dy # 1 coordinates: [ 0.635052520000000, 0.000000000000000, 0.986873230000000 ] mass: 162.500000 reduced_to: 1 - symbol: Dy # 2 coordinates: [ 0.690437190000000, 0.000000000000000, 0.637187140000000 ] mass: 162.500000 reduced_to: 2 - symbol: Dy # 3 coordinates: [ 0.533095350000000, 0.500000000000000, 0.312777580000000 ] mass: 162.500000 reduced_to: 3 - symbol: Dy # 4 coordinates: [ 0.864947480000000, 0.500000000000000, 0.013126770000000 ] mass: 162.500000 reduced_to: 4 - symbol: Dy # 5 coordinates: [ 0.809562810000000, 0.500000000000000, 0.362812860000000 ] mass: 162.500000 reduced_to: 5 - symbol: Dy # 6 coordinates: [ 0.966904650000000, 0.000000000000000, 0.687222420000000 ] mass: 162.500000 reduced_to: 6 - symbol: Dy # 7 coordinates: [ 0.135052520000000, 0.500000000000000, 0.986873230000000 ] mass: 162.500000 reduced_to: 1 - symbol: Dy # 8 coordinates: [ 0.190437190000000, 0.500000000000000, 0.637187140000000 ] mass: 162.500000 reduced_to: 2 - symbol: Dy # 9 coordinates: [ 0.033095350000000, 0.000000000000000, 0.312777580000000 ] mass: 162.500000 reduced_to: 3 - symbol: Dy # 10 coordinates: [ 0.364947480000000, 0.000000000000000, 0.013126770000000 ] mass: 162.500000 reduced_to: 4 - symbol: Dy # 11 coordinates: [ 0.309562810000000, 0.000000000000000, 0.362812860000000 ] mass: 162.500000 reduced_to: 5 - symbol: Dy # 12 coordinates: [ 0.466904650000000, 0.500000000000000, 0.687222420000000 ] mass: 162.500000 reduced_to: 6 - symbol: O # 13 coordinates: [ 0.871655980000000, 0.000000000000000, 0.216869440000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.794255320000000, 0.000000000000000, 0.875881560000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.628344020000000, 0.500000000000000, 0.783130560000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.705744680000000, 0.500000000000000, 0.124118440000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.971852480000000, 0.500000000000000, 0.843897170000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.528147520000000, 0.000000000000000, 0.156102830000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.674929420000000, 0.500000000000000, 0.470507680000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.825070580000000, 0.000000000000000, 0.529492320000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.371655980000000, 0.500000000000000, 0.216869440000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 23 coordinates: [ 0.294255320000000, 0.500000000000000, 0.875881560000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 24 coordinates: [ 0.128344020000000, 0.000000000000000, 0.783130560000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 25 coordinates: [ 0.205744680000000, 0.000000000000000, 0.124118440000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 26 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 27 coordinates: [ 0.471852480000000, 0.000000000000000, 0.843897170000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 28 coordinates: [ 0.028147520000000, 0.500000000000000, 0.156102830000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 29 coordinates: [ 0.174929420000000, 0.000000000000000, 0.470507680000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 30 coordinates: [ 0.325070580000000, 0.500000000000000, 0.529492320000000 ] mass: 15.999400 reduced_to: 21supercell: lattice: - [ 13.806283790000000, 0.000000000000000, 0.031515210000000 ] # a - [ 0.000000000000000, 10.415230080000001, 0.000000000000000 ] # b - [ -1.507888200000000, 0.000000000000000, 8.415840129999999 ] # c points: - symbol: Dy # 1 coordinates: [ 0.635052520000000, 0.000000000000000, 0.986873230000000 ] mass: 162.500000 reduced_to: 1 - symbol: Dy # 2 coordinates: [ 0.635052520000000, 0.333333333333333, 0.986873230000000 ] mass: 162.500000 reduced_to: 1 - symbol: Dy # 3 coordinates: [ 0.635052520000000, 0.666666666666667, 0.986873230000000 ] mass: 162.500000 reduced_to: 1 - symbol: Dy # 4 coordinates: [ 0.690437190000000, 0.000000000000000, 0.637187140000000 ] mass: 162.500000 reduced_to: 4 - symbol: Dy # 5 coordinates: [ 0.690437190000000, 0.333333333333333, 0.637187140000000 ] mass: 162.500000 reduced_to: 4 - symbol: Dy # 6 coordinates: [ 0.690437190000000, 0.666666666666667, 0.637187140000000 ] mass: 162.500000 reduced_to: 4 - symbol: Dy # 7 coordinates: [ 0.533095350000000, 0.166666666666667, 0.312777580000000 ] mass: 162.500000 reduced_to: 7 - symbol: Dy # 8 coordinates: [ 0.533095350000000, 0.500000000000000, 0.312777580000000 ] mass: 162.500000 reduced_to: 7 - symbol: Dy # 9 coordinates: [ 0.533095350000000, 0.833333333333333, 0.312777580000000 ] mass: 162.500000 reduced_to: 7 - symbol: Dy # 10 coordinates: [ 0.864947480000000, 0.166666666666667, 0.013126770000000 ] mass: 162.500000 reduced_to: 10 - symbol: Dy # 11 coordinates: [ 0.864947480000000, 0.500000000000000, 0.013126770000000 ] mass: 162.500000 reduced_to: 10 - symbol: Dy # 12 coordinates: [ 0.864947480000000, 0.833333333333333, 0.013126770000000 ] mass: 162.500000 reduced_to: 10 - symbol: Dy # 13 coordinates: [ 0.809562810000000, 0.166666666666667, 0.362812860000000 ] mass: 162.500000 reduced_to: 13 - symbol: Dy # 14 coordinates: [ 0.809562810000000, 0.500000000000000, 0.362812860000000 ] mass: 162.500000 reduced_to: 13 - symbol: Dy # 15 coordinates: [ 0.809562810000000, 0.833333333333333, 0.362812860000000 ] mass: 162.500000 reduced_to: 13 - symbol: Dy # 16 coordinates: [ 0.966904650000000, 0.000000000000000, 0.687222420000000 ] mass: 162.500000 reduced_to: 16 - symbol: Dy # 17 coordinates: [ 0.966904650000000, 0.333333333333333, 0.687222420000000 ] mass: 162.500000 reduced_to: 16 - symbol: Dy # 18 coordinates: [ 0.966904650000000, 0.666666666666667, 0.687222420000000 ] mass: 162.500000 reduced_to: 16 - symbol: Dy # 19 coordinates: [ 0.135052520000000, 0.166666666666667, 0.986873230000000 ] mass: 162.500000 reduced_to: 1 - symbol: Dy # 20 coordinates: [ 0.135052520000000, 0.500000000000000, 0.986873230000000 ] mass: 162.500000 reduced_to: 1 - symbol: Dy # 21 coordinates: [ 0.135052520000000, 0.833333333333333, 0.986873230000000 ] mass: 162.500000 reduced_to: 1 - symbol: Dy # 22 coordinates: [ 0.190437190000000, 0.166666666666667, 0.637187140000000 ] mass: 162.500000 reduced_to: 4 - symbol: Dy # 23 coordinates: [ 0.190437190000000, 0.500000000000000, 0.637187140000000 ] mass: 162.500000 reduced_to: 4 - symbol: Dy # 24 coordinates: [ 0.190437190000000, 0.833333333333333, 0.637187140000000 ] mass: 162.500000 reduced_to: 4 - symbol: Dy # 25 coordinates: [ 0.033095350000000, 0.000000000000000, 0.312777580000000 ] mass: 162.500000 reduced_to: 7 - symbol: Dy # 26 coordinates: [ 0.033095350000000, 0.333333333333333, 0.312777580000000 ] mass: 162.500000 reduced_to: 7 - symbol: Dy # 27 coordinates: [ 0.033095350000000, 0.666666666666667, 0.312777580000000 ] mass: 162.500000 reduced_to: 7 - symbol: Dy # 28 coordinates: [ 0.364947480000000, 0.000000000000000, 0.013126770000000 ] mass: 162.500000 reduced_to: 10 - symbol: Dy # 29 coordinates: [ 0.364947480000000, 0.333333333333333, 0.013126770000000 ] mass: 162.500000 reduced_to: 10 - symbol: Dy # 30 coordinates: [ 0.364947480000000, 0.666666666666667, 0.013126770000000 ] mass: 162.500000 reduced_to: 10 - symbol: Dy # 31 coordinates: [ 0.309562810000000, 0.000000000000000, 0.362812860000000 ] mass: 162.500000 reduced_to: 13 - symbol: Dy # 32 coordinates: [ 0.309562810000000, 0.333333333333333, 0.362812860000000 ] mass: 162.500000 reduced_to: 13 - symbol: Dy # 33 coordinates: [ 0.309562810000000, 0.666666666666667, 0.362812860000000 ] mass: 162.500000 reduced_to: 13 - symbol: Dy # 34 coordinates: [ 0.466904650000000, 0.166666666666667, 0.687222420000000 ] mass: 162.500000 reduced_to: 16 - symbol: Dy # 35 coordinates: [ 0.466904650000000, 0.500000000000000, 0.687222420000000 ] mass: 162.500000 reduced_to: 16 - symbol: Dy # 36 coordinates: [ 0.466904650000000, 0.833333333333333, 0.687222420000000 ] mass: 162.500000 reduced_to: 16 - symbol: O # 37 coordinates: [ 0.871655980000000, 0.000000000000000, 0.216869440000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.871655980000000, 0.333333333333333, 0.216869440000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.871655980000000, 0.666666666666667, 0.216869440000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.794255320000000, 0.000000000000000, 0.875881560000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.794255320000000, 0.333333333333333, 0.875881560000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 42 coordinates: [ 0.794255320000000, 0.666666666666667, 0.875881560000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 43 coordinates: [ 0.628344020000000, 0.166666666666667, 0.783130560000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.628344020000000, 0.500000000000000, 0.783130560000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.628344020000000, 0.833333333333333, 0.783130560000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.705744680000000, 0.166666666666667, 0.124118440000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.705744680000000, 0.500000000000000, 0.124118440000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 48 coordinates: [ 0.705744680000000, 0.833333333333333, 0.124118440000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 49 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.500000000000000, 0.333333333333333, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.500000000000000, 0.666666666666667, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.971852480000000, 0.166666666666667, 0.843897170000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.971852480000000, 0.500000000000000, 0.843897170000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 54 coordinates: [ 0.971852480000000, 0.833333333333333, 0.843897170000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 55 coordinates: [ 0.528147520000000, 0.000000000000000, 0.156102830000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.528147520000000, 0.333333333333333, 0.156102830000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.528147520000000, 0.666666666666667, 0.156102830000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.674929420000000, 0.166666666666667, 0.470507680000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.674929420000000, 0.500000000000000, 0.470507680000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 60 coordinates: [ 0.674929420000000, 0.833333333333333, 0.470507680000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 61 coordinates: [ 0.825070580000000, 0.000000000000000, 0.529492320000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.825070580000000, 0.333333333333333, 0.529492320000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.825070580000000, 0.666666666666667, 0.529492320000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.371655980000000, 0.166666666666667, 0.216869440000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 65 coordinates: [ 0.371655980000000, 0.500000000000000, 0.216869440000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 66 coordinates: [ 0.371655980000000, 0.833333333333333, 0.216869440000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 67 coordinates: [ 0.294255320000000, 0.166666666666667, 0.875881560000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 68 coordinates: [ 0.294255320000000, 0.500000000000000, 0.875881560000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 69 coordinates: [ 0.294255320000000, 0.833333333333333, 0.875881560000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 70 coordinates: [ 0.128344020000000, 0.000000000000000, 0.783130560000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 71 coordinates: [ 0.128344020000000, 0.333333333333333, 0.783130560000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 72 coordinates: [ 0.128344020000000, 0.666666666666667, 0.783130560000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 73 coordinates: [ 0.205744680000000, 0.000000000000000, 0.124118440000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 74 coordinates: [ 0.205744680000000, 0.333333333333333, 0.124118440000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 75 coordinates: [ 0.205744680000000, 0.666666666666667, 0.124118440000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 76 coordinates: [ 0.000000000000000, 0.166666666666667, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 77 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 78 coordinates: [ 0.000000000000000, 0.833333333333333, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 79 coordinates: [ 0.471852480000000, 0.000000000000000, 0.843897170000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 80 coordinates: [ 0.471852480000000, 0.333333333333333, 0.843897170000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 81 coordinates: [ 0.471852480000000, 0.666666666666667, 0.843897170000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 82 coordinates: [ 0.028147520000000, 0.166666666666667, 0.156102830000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 83 coordinates: [ 0.028147520000000, 0.500000000000000, 0.156102830000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 84 coordinates: [ 0.028147520000000, 0.833333333333333, 0.156102830000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 85 coordinates: [ 0.174929420000000, 0.000000000000000, 0.470507680000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 86 coordinates: [ 0.174929420000000, 0.333333333333333, 0.470507680000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 87 coordinates: [ 0.174929420000000, 0.666666666666667, 0.470507680000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 88 coordinates: [ 0.325070580000000, 0.166666666666667, 0.529492320000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 89 coordinates: [ 0.325070580000000, 0.500000000000000, 0.529492320000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 90 coordinates: [ 0.325070580000000, 0.833333333333333, 0.529492320000000 ] mass: 15.999400 reduced_to: 61born_effective_charge:- # 1 (Dy) - [ 3.678770200000000, -0.000000000000000, 0.042820350000000 ] - [ 0.000000000000000, 3.789236230000000, -0.000000000000000 ] - [ -0.005371790000000, -0.000000000000000, 3.778589270000000 ]- # 2 (Dy) - [ 3.557769700000000, -0.000000000000000, -0.243971010000000 ] - [ 0.000000000000000, 3.655274000000000, 0.000000000000000 ] - [ -0.199933520000000, -0.000000000000000, 4.028544980000000 ]- # 3 (Dy) - [ 3.694385320000000, -0.000000000000000, 0.347537170000000 ] - [ 0.000000000000000, 4.056728940000000, -0.000000000000000 ] - [ 0.338368220000000, 0.000000000000000, 3.775340850000001 ]- # 4 (Dy) - [ 3.678770200000000, -0.000000000000000, 0.042820350000000 ] - [ 0.000000000000000, 3.789236230000000, -0.000000000000000 ] - [ -0.005371790000000, -0.000000000000000, 3.778589270000001 ]- # 5 (Dy) - [ 3.557769700000000, -0.000000000000000, -0.243971010000000 ] - [ 0.000000000000000, 3.655274000000000, 0.000000000000000 ] - [ -0.199933520000000, -0.000000000000000, 4.028544980000000 ]- # 6 (Dy) - [ 3.694385320000000, -0.000000000000000, 0.347537170000000 ] - [ 0.000000000000000, 4.056728940000000, -0.000000000000000 ] - [ 0.338368220000000, 0.000000000000000, 3.775340850000001 ]- # 7 (O) - [ -2.336629160000000, 0.000000000000000, -0.048934080000000 ] - [ -0.000000000000000, -2.729457350000000, 0.000000000000000 ] - [ -0.008199160000000, -0.000000000000000, -2.542796550000000 ]- # 8 (O) - [ -2.321088300000000, 0.000000000000000, -0.414912800000000 ] - [ -0.000000000000000, -2.468683830000000, 0.000000000000000 ] - [ -0.460147950000000, -0.000000000000000, -2.691297490000000 ]- # 9 (O) - [ -2.336629160000000, 0.000000000000000, -0.048934080000000 ] - [ -0.000000000000000, -2.729457350000000, 0.000000000000000 ] - [ -0.008199160000000, -0.000000000000000, -2.542796550000000 ]- # 10 (O) - [ -2.321088300000000, 0.000000000000000, -0.414912800000000 ] - [ -0.000000000000000, -2.468683830000000, 0.000000000000000 ] - [ -0.460147950000000, -0.000000000000000, -2.691297490000000 ]- # 11 (O) - [ -2.231501940000000, 0.000000000000000, 0.024961000000000 ] - [ -0.000000000000000, -2.798746980000000, -0.000000000000000 ] - [ 0.094245870000000, 0.000000000000000, -2.559105560000000 ]- # 12 (O) - [ -2.396558820000000, 0.000000000000000, 0.352374830000000 ] - [ -0.000000000000000, -2.599737170000000, -0.000000000000000 ] - 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