# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c311663a-552f-4c33-ae9e-4550bc9f04cc/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 Ho2O3 / C2/m (12) / materials id 558336](https://mdr.nims.go.jp/datasets/14ed8218-9148-4a30-9c80-fd3d8051c9e7) ## 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: [ 0.825168310000000, 0.825168310000000, 0.029952430000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.871821930000000, 0.871821930000000, 0.717278330000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.206188650000000, 0.206188650000000, 0.623755600000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.793811350000000, 0.793811350000000, 0.376244400000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.128178070000000, 0.128178070000000, 0.282721670000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.528511270000000, 0.528511270000000, 0.656223990000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.471488730000000, 0.471488730000000, 0.343776010000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.072705887688939, -0.290168314626347, 0.013076808657238 ] # a* - [ 0.072705887688939, 0.290168314626347, 0.013076808657238 ] # b* - [ -0.000266165662679, 0.000000000000000, 0.119494872882940 ] # c*unit_cell: lattice: - [ 13.748536330000000, 0.000000000000000, 0.030623810000000 ] # a - [ 0.000000000000000, 3.446275660000000, 0.000000000000000 ] # b - [ -1.504558100000000, 0.000000000000000, 8.365208600000001 ] # c points: - symbol: Ho # 1 coordinates: [ 0.032950540000000, 0.000000000000000, 0.813045570000000 ] mass: 164.930320 reduced_to: 1 - symbol: Ho # 2 coordinates: [ 0.190547120000000, 0.500000000000000, 0.137137060000000 ] mass: 164.930320 reduced_to: 2 - symbol: Ho # 3 coordinates: [ 0.364903600000000, 0.000000000000000, 0.513269840000000 ] mass: 164.930320 reduced_to: 3 - symbol: Ho # 4 coordinates: [ 0.309452880000000, 0.000000000000000, 0.862862940000000 ] mass: 164.930320 reduced_to: 4 - symbol: Ho # 5 coordinates: [ 0.135096400000000, 0.500000000000000, 0.486730160000000 ] mass: 164.930320 reduced_to: 5 - symbol: Ho # 6 coordinates: [ 0.467049460000000, 0.500000000000000, 0.186954430000000 ] mass: 164.930320 reduced_to: 6 - symbol: Ho # 7 coordinates: [ 0.532950540000000, 0.500000000000000, 0.813045570000000 ] mass: 164.930320 reduced_to: 1 - symbol: Ho # 8 coordinates: [ 0.690547120000000, 0.000000000000000, 0.137137060000000 ] mass: 164.930320 reduced_to: 2 - symbol: Ho # 9 coordinates: [ 0.864903600000000, 0.500000000000000, 0.513269840000000 ] mass: 164.930320 reduced_to: 3 - symbol: Ho # 10 coordinates: [ 0.809452880000000, 0.500000000000000, 0.862862940000000 ] mass: 164.930320 reduced_to: 4 - symbol: Ho # 11 coordinates: [ 0.635096400000000, 0.000000000000000, 0.486730160000000 ] mass: 164.930320 reduced_to: 5 - symbol: Ho # 12 coordinates: [ 0.967049460000000, 0.000000000000000, 0.186954430000000 ] mass: 164.930320 reduced_to: 6 - symbol: O # 13 coordinates: [ 0.174831690000000, 0.000000000000000, 0.970047570000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.325168310000000, 0.500000000000000, 0.029952430000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.371821930000000, 0.500000000000000, 0.717278330000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.206188650000000, 0.000000000000000, 0.623755600000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.293811350000000, 0.500000000000000, 0.376244400000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.128178070000000, 0.000000000000000, 0.282721670000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.028511270000000, 0.500000000000000, 0.656223990000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.471488730000000, 0.000000000000000, 0.343776010000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.674831690000000, 0.500000000000000, 0.970047570000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 23 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 24 coordinates: [ 0.825168310000000, 0.000000000000000, 0.029952430000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 25 coordinates: [ 0.871821930000000, 0.000000000000000, 0.717278330000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 26 coordinates: [ 0.706188650000000, 0.500000000000000, 0.623755600000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 27 coordinates: [ 0.793811350000000, 0.000000000000000, 0.376244400000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 28 coordinates: [ 0.628178070000000, 0.500000000000000, 0.282721670000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 29 coordinates: [ 0.528511270000000, 0.000000000000000, 0.656223990000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 30 coordinates: [ 0.971488730000000, 0.500000000000000, 0.343776010000000 ] mass: 15.999400 reduced_to: 21supercell: lattice: - [ 13.748536330000000, 0.000000000000000, 0.030623810000000 ] # a - [ 0.000000000000000, 10.338826980000000, 0.000000000000000 ] # b - [ -1.504558100000000, 0.000000000000000, 8.365208600000001 ] # c points: - symbol: Ho # 1 coordinates: [ 0.032950540000000, 0.000000000000000, 0.813045570000000 ] mass: 164.930320 reduced_to: 1 - symbol: Ho # 2 coordinates: [ 0.032950540000000, 0.333333333333333, 0.813045570000000 ] mass: 164.930320 reduced_to: 1 - symbol: Ho # 3 coordinates: [ 0.032950540000000, 0.666666666666667, 0.813045570000000 ] mass: 164.930320 reduced_to: 1 - symbol: Ho # 4 coordinates: [ 0.190547120000000, 0.166666666666667, 0.137137060000000 ] mass: 164.930320 reduced_to: 4 - symbol: Ho # 5 coordinates: [ 0.190547120000000, 0.500000000000000, 0.137137060000000 ] mass: 164.930320 reduced_to: 4 - symbol: Ho # 6 coordinates: [ 0.190547120000000, 0.833333333333333, 0.137137060000000 ] mass: 164.930320 reduced_to: 4 - symbol: Ho # 7 coordinates: [ 0.364903600000000, 0.000000000000000, 0.513269840000000 ] mass: 164.930320 reduced_to: 7 - symbol: Ho # 8 coordinates: [ 0.364903600000000, 0.333333333333333, 0.513269840000000 ] mass: 164.930320 reduced_to: 7 - symbol: Ho # 9 coordinates: [ 0.364903600000000, 0.666666666666667, 0.513269840000000 ] mass: 164.930320 reduced_to: 7 - symbol: Ho # 10 coordinates: [ 0.309452880000000, 0.000000000000000, 0.862862940000000 ] mass: 164.930320 reduced_to: 10 - symbol: Ho # 11 coordinates: [ 0.309452880000000, 0.333333333333333, 0.862862940000000 ] mass: 164.930320 reduced_to: 10 - symbol: Ho # 12 coordinates: [ 0.309452880000000, 0.666666666666667, 0.862862940000000 ] mass: 164.930320 reduced_to: 10 - symbol: Ho # 13 coordinates: [ 0.135096400000000, 0.166666666666667, 0.486730160000000 ] mass: 164.930320 reduced_to: 13 - symbol: Ho # 14 coordinates: [ 0.135096400000000, 0.500000000000000, 0.486730160000000 ] mass: 164.930320 reduced_to: 13 - symbol: Ho # 15 coordinates: [ 0.135096400000000, 0.833333333333333, 0.486730160000000 ] mass: 164.930320 reduced_to: 13 - symbol: Ho # 16 coordinates: [ 0.467049460000000, 0.166666666666667, 0.186954430000000 ] mass: 164.930320 reduced_to: 16 - symbol: Ho # 17 coordinates: [ 0.467049460000000, 0.500000000000000, 0.186954430000000 ] mass: 164.930320 reduced_to: 16 - symbol: Ho # 18 coordinates: [ 0.467049460000000, 0.833333333333333, 0.186954430000000 ] mass: 164.930320 reduced_to: 16 - symbol: Ho # 19 coordinates: [ 0.532950540000000, 0.166666666666667, 0.813045570000000 ] mass: 164.930320 reduced_to: 1 - symbol: Ho # 20 coordinates: [ 0.532950540000000, 0.500000000000000, 0.813045570000000 ] mass: 164.930320 reduced_to: 1 - symbol: Ho # 21 coordinates: [ 0.532950540000000, 0.833333333333333, 0.813045570000000 ] mass: 164.930320 reduced_to: 1 - symbol: Ho # 22 coordinates: [ 0.690547120000000, 0.000000000000000, 0.137137060000000 ] mass: 164.930320 reduced_to: 4 - symbol: Ho # 23 coordinates: [ 0.690547120000000, 0.333333333333333, 0.137137060000000 ] mass: 164.930320 reduced_to: 4 - symbol: Ho # 24 coordinates: [ 0.690547120000000, 0.666666666666667, 0.137137060000000 ] mass: 164.930320 reduced_to: 4 - symbol: Ho # 25 coordinates: [ 0.864903600000000, 0.166666666666667, 0.513269840000000 ] mass: 164.930320 reduced_to: 7 - symbol: Ho # 26 coordinates: [ 0.864903600000000, 0.500000000000000, 0.513269840000000 ] mass: 164.930320 reduced_to: 7 - symbol: Ho # 27 coordinates: [ 0.864903600000000, 0.833333333333333, 0.513269840000000 ] mass: 164.930320 reduced_to: 7 - symbol: Ho # 28 coordinates: [ 0.809452880000000, 0.166666666666667, 0.862862940000000 ] mass: 164.930320 reduced_to: 10 - symbol: Ho # 29 coordinates: [ 0.809452880000000, 0.500000000000000, 0.862862940000000 ] mass: 164.930320 reduced_to: 10 - symbol: Ho # 30 coordinates: [ 0.809452880000000, 0.833333333333333, 0.862862940000000 ] mass: 164.930320 reduced_to: 10 - symbol: Ho # 31 coordinates: [ 0.635096400000000, 0.000000000000000, 0.486730160000000 ] mass: 164.930320 reduced_to: 13 - symbol: Ho # 32 coordinates: [ 0.635096400000000, 0.333333333333333, 0.486730160000000 ] mass: 164.930320 reduced_to: 13 - symbol: Ho # 33 coordinates: [ 0.635096400000000, 0.666666666666667, 0.486730160000000 ] mass: 164.930320 reduced_to: 13 - symbol: Ho # 34 coordinates: [ 0.967049460000000, 0.000000000000000, 0.186954430000000 ] mass: 164.930320 reduced_to: 16 - symbol: Ho # 35 coordinates: [ 0.967049460000000, 0.333333333333333, 0.186954430000000 ] mass: 164.930320 reduced_to: 16 - symbol: Ho # 36 coordinates: [ 0.967049460000000, 0.666666666666667, 0.186954430000000 ] mass: 164.930320 reduced_to: 16 - symbol: O # 37 coordinates: [ 0.174831690000000, 0.000000000000000, 0.970047570000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.174831690000000, 0.333333333333333, 0.970047570000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.174831690000000, 0.666666666666667, 0.970047570000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.000000000000000, 0.166666666666667, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 42 coordinates: [ 0.000000000000000, 0.833333333333333, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 43 coordinates: [ 0.325168310000000, 0.166666666666667, 0.029952430000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.325168310000000, 0.500000000000000, 0.029952430000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.325168310000000, 0.833333333333333, 0.029952430000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.371821930000000, 0.166666666666667, 0.717278330000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.371821930000000, 0.500000000000000, 0.717278330000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 48 coordinates: [ 0.371821930000000, 0.833333333333333, 0.717278330000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 49 coordinates: [ 0.206188650000000, 0.000000000000000, 0.623755600000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.206188650000000, 0.333333333333333, 0.623755600000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.206188650000000, 0.666666666666667, 0.623755600000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.293811350000000, 0.166666666666667, 0.376244400000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.293811350000000, 0.500000000000000, 0.376244400000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 54 coordinates: [ 0.293811350000000, 0.833333333333333, 0.376244400000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 55 coordinates: [ 0.128178070000000, 0.000000000000000, 0.282721670000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.128178070000000, 0.333333333333333, 0.282721670000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.128178070000000, 0.666666666666667, 0.282721670000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.028511270000000, 0.166666666666667, 0.656223990000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.028511270000000, 0.500000000000000, 0.656223990000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 60 coordinates: [ 0.028511270000000, 0.833333333333333, 0.656223990000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 61 coordinates: [ 0.471488730000000, 0.000000000000000, 0.343776010000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.471488730000000, 0.333333333333333, 0.343776010000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.471488730000000, 0.666666666666667, 0.343776010000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.674831690000000, 0.166666666666667, 0.970047570000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 65 coordinates: [ 0.674831690000000, 0.500000000000000, 0.970047570000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 66 coordinates: [ 0.674831690000000, 0.833333333333333, 0.970047570000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 67 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 68 coordinates: [ 0.500000000000000, 0.333333333333333, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 69 coordinates: [ 0.500000000000000, 0.666666666666667, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 70 coordinates: [ 0.825168310000000, 0.000000000000000, 0.029952430000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 71 coordinates: [ 0.825168310000000, 0.333333333333333, 0.029952430000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 72 coordinates: [ 0.825168310000000, 0.666666666666667, 0.029952430000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 73 coordinates: [ 0.871821930000000, 0.000000000000000, 0.717278330000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 74 coordinates: [ 0.871821930000000, 0.333333333333333, 0.717278330000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 75 coordinates: [ 0.871821930000000, 0.666666666666667, 0.717278330000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 76 coordinates: [ 0.706188650000000, 0.166666666666667, 0.623755600000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 77 coordinates: [ 0.706188650000000, 0.500000000000000, 0.623755600000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 78 coordinates: [ 0.706188650000000, 0.833333333333333, 0.623755600000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 79 coordinates: [ 0.793811350000000, 0.000000000000000, 0.376244400000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 80 coordinates: [ 0.793811350000000, 0.333333333333333, 0.376244400000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 81 coordinates: [ 0.793811350000000, 0.666666666666667, 0.376244400000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 82 coordinates: [ 0.628178070000000, 0.166666666666667, 0.282721670000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 83 coordinates: [ 0.628178070000000, 0.500000000000000, 0.282721670000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 84 coordinates: [ 0.628178070000000, 0.833333333333333, 0.282721670000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 85 coordinates: [ 0.528511270000000, 0.000000000000000, 0.656223990000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 86 coordinates: [ 0.528511270000000, 0.333333333333333, 0.656223990000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 87 coordinates: [ 0.528511270000000, 0.666666666666667, 0.656223990000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 88 coordinates: [ 0.971488730000000, 0.166666666666667, 0.343776010000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 89 coordinates: [ 0.971488730000000, 0.500000000000000, 0.343776010000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 90 coordinates: [ 0.971488730000000, 0.833333333333333, 0.343776010000000 ] mass: 15.999400 reduced_to: 61born_effective_charge:- # 1 (Ho) - [ 3.667885720000000, 0.000000000000000, 0.332744030000000 ] - [ 0.000000000000000, 4.033478420000000, -0.000000000000000 ] - [ 0.326225910000000, -0.000000000000000, 3.747656960000000 ]- # 2 (Ho) - [ 3.538654990000000, 0.000000000000000, -0.239687360000000 ] - [ 0.000000000000000, 3.625163360000000, 0.000000000000000 ] - [ -0.199676620000000, 0.000000000000000, 4.005784500000000 ]- # 3 (Ho) - [ 3.662074380000000, 0.000000000000000, 0.037741920000000 ] - [ 0.000000000000000, 3.761247630000000, -0.000000000000000 ] - [ -0.009685600000000, 0.000000000000000, 3.754479820000000 ]- # 4 (Ho) - [ 3.538654990000000, 0.000000000000000, -0.239687360000000 ] - [ 0.000000000000000, 3.625163360000000, 0.000000000000000 ] - [ -0.199676620000000, 0.000000000000000, 4.005784500000000 ]- # 5 (Ho) - [ 3.662074380000000, 0.000000000000000, 0.037741920000000 ] - [ 0.000000000000000, 3.761247630000000, -0.000000000000000 ] - [ -0.009685600000000, 0.000000000000000, 3.754479820000000 ]- # 6 (Ho) - [ 3.667885720000000, 0.000000000000000, 0.332744030000000 ] - [ 0.000000000000000, 4.033478420000000, -0.000000000000000 ] - [ 0.326225910000000, -0.000000000000000, 3.747656960000000 ]- # 7 (O) - [ -2.743274040000000, 0.000000000000000, -0.042205900000000 ] - [ 0.000000000000000, -2.284635520000000, 0.000000000000000 ] - [ -0.018939140000000, 0.000000000000000, -2.486227490000000 ]- # 8 (O) - [ -2.221297910000000, -0.000000000000000, 0.026587330000000 ] - [ -0.000000000000000, -2.793373060000000, -0.000000000000000 ] - [ 0.095287930000000, -0.000000000000000, -2.547101510000000 ]- # 9 (O) - [ -2.743274040000000, 0.000000000000000, -0.042205900000000 ] - [ 0.000000000000000, -2.284635520000000, 0.000000000000000 ] - [ -0.018939140000000, 0.000000000000000, -2.486227490000000 ]- # 10 (O) - [ -2.321931880000000, -0.000000000000000, -0.050199500000000 ] - [ -0.000000000000000, -2.709756780000000, 0.000000000000000 ] - [ -0.006019450000000, 0.000000000000000, -2.527419660000000 ]- # 11 (O) - [ -2.310710780000000, -0.000000000000000, -0.405213980000000 ] - [ -0.000000000000000, -2.447599260000000, 0.000000000000000 ] - [ -0.452995940000000, 0.000000000000000, -2.674327530000000 ]- # 12 (O) - [ -2.310710780000000, -0.000000000000000, -0.405213980000000 ] - [ -0.000000000000000, -2.447599260000000, 0.000000000000000 ] - 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