# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7d36dac7-a691-40d3-af91-5e521306e3df/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 Si3Os2 / Pbcn (60) / materials id 16608](https://mdr.nims.go.jp/datasets/439c6192-cb8a-461c-b7ed-4972c3fc475a) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pbcn" number: 60 Hall_symbol: "-P 2n 2ab"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 11.135210649999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.960079830000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.576202030000000 ] # c points: - symbol: Si # 1 coordinates: [ 0.370127240000000, 0.107817010000000, 0.605597460000000 ] mass: 28.085500 - symbol: Si # 2 coordinates: [ 0.129872760000000, 0.392182990000000, 0.105597460000000 ] mass: 28.085500 - symbol: Si # 3 coordinates: [ 0.629872760000000, 0.107817010000000, 0.894402540000000 ] mass: 28.085500 - symbol: Si # 4 coordinates: [ 0.870127240000000, 0.392182990000000, 0.394402540000000 ] mass: 28.085500 - symbol: Si # 5 coordinates: [ 0.629872760000000, 0.892182990000000, 0.394402540000000 ] mass: 28.085500 - symbol: Si # 6 coordinates: [ 0.870127240000000, 0.607817010000000, 0.894402540000000 ] mass: 28.085500 - symbol: Si # 7 coordinates: [ 0.370127240000000, 0.892182990000000, 0.105597460000000 ] mass: 28.085500 - symbol: Si # 8 coordinates: [ 0.129872760000000, 0.607817010000000, 0.605597460000000 ] mass: 28.085500 - symbol: Si # 9 coordinates: [ 0.181494810000000, 0.063312260000000, 0.910969830000000 ] mass: 28.085500 - symbol: Si # 10 coordinates: [ 0.318505190000000, 0.436687740000000, 0.410969830000000 ] mass: 28.085500 - symbol: Si # 11 coordinates: [ 0.818505190000000, 0.063312260000000, 0.589030170000000 ] mass: 28.085500 - symbol: Si # 12 coordinates: [ 0.681494810000000, 0.436687740000000, 0.089030170000000 ] mass: 28.085500 - symbol: Si # 13 coordinates: [ 0.818505190000000, 0.936687740000000, 0.089030170000000 ] mass: 28.085500 - symbol: Si # 14 coordinates: [ 0.681494810000000, 0.563312260000000, 0.589030170000000 ] mass: 28.085500 - symbol: Si # 15 coordinates: [ 0.181494810000000, 0.936687740000000, 0.410969830000000 ] mass: 28.085500 - symbol: Si # 16 coordinates: [ 0.318505190000000, 0.563312260000000, 0.910969830000000 ] mass: 28.085500 - symbol: Si # 17 coordinates: [ 0.426260230000000, 0.705695810000000, 0.556464330000000 ] mass: 28.085500 - symbol: Si # 18 coordinates: [ 0.073739770000000, 0.794304190000000, 0.056464330000000 ] mass: 28.085500 - symbol: Si # 19 coordinates: [ 0.573739770000000, 0.705695810000000, 0.943535670000000 ] mass: 28.085500 - symbol: Si # 20 coordinates: [ 0.926260230000000, 0.794304190000000, 0.443535670000000 ] mass: 28.085500 - symbol: Si # 21 coordinates: [ 0.573739770000000, 0.294304190000000, 0.443535670000000 ] mass: 28.085500 - symbol: Si # 22 coordinates: [ 0.926260230000000, 0.205695810000000, 0.943535670000000 ] mass: 28.085500 - symbol: Si # 23 coordinates: [ 0.426260230000000, 0.294304190000000, 0.056464330000000 ] mass: 28.085500 - symbol: Si # 24 coordinates: [ 0.073739770000000, 0.205695810000000, 0.556464330000000 ] mass: 28.085500 - symbol: Os # 25 coordinates: [ 0.500000000000000, 0.924071660000000, 0.750000000000000 ] mass: 190.230000 - symbol: Os # 26 coordinates: [ 0.000000000000000, 0.575928340000000, 0.250000000000000 ] mass: 190.230000 - symbol: Os # 27 coordinates: [ 0.500000000000000, 0.075928340000000, 0.250000000000000 ] mass: 190.230000 - symbol: Os # 28 coordinates: [ 0.000000000000000, 0.424071660000000, 0.750000000000000 ] mass: 190.230000 - symbol: Os # 29 coordinates: [ 0.500000000000000, 0.461743950000000, 0.750000000000000 ] mass: 190.230000 - symbol: Os # 30 coordinates: [ 0.000000000000000, 0.038256050000000, 0.250000000000000 ] mass: 190.230000 - symbol: Os # 31 coordinates: [ 0.500000000000000, 0.538256050000000, 0.250000000000000 ] mass: 190.230000 - symbol: Os # 32 coordinates: [ 0.000000000000000, 0.961743950000000, 0.750000000000000 ] mass: 190.230000 - symbol: Os # 33 coordinates: [ 0.254599640000000, 0.313258530000000, 0.764038190000000 ] mass: 190.230000 - symbol: Os # 34 coordinates: [ 0.245400360000000, 0.186741470000000, 0.264038190000000 ] mass: 190.230000 - symbol: Os # 35 coordinates: [ 0.745400360000000, 0.313258530000000, 0.735961810000000 ] mass: 190.230000 - symbol: Os # 36 coordinates: [ 0.754599640000000, 0.186741470000000, 0.235961810000000 ] mass: 190.230000 - symbol: Os # 37 coordinates: [ 0.745400360000000, 0.686741470000000, 0.235961810000000 ] mass: 190.230000 - symbol: Os # 38 coordinates: [ 0.754599640000000, 0.813258530000000, 0.735961810000000 ] mass: 190.230000 - symbol: Os # 39 coordinates: [ 0.254599640000000, 0.686741470000000, 0.264038190000000 ] mass: 190.230000 - symbol: Os # 40 coordinates: [ 0.245400360000000, 0.813258530000000, 0.764038190000000 ] mass: 190.230000 reciprocal_lattice: # without 2pi - [ 0.089805216212951, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.111606148491202, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.179333531070071 ] # c*unit_cell: lattice: - [ 11.135210649999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.960079830000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.576202030000000 ] # c points: - symbol: Si # 1 coordinates: [ 0.370127240000000, 0.107817010000000, 0.605597460000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 2 coordinates: [ 0.129872760000000, 0.392182990000000, 0.105597460000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 3 coordinates: [ 0.629872760000000, 0.107817010000000, 0.894402540000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 4 coordinates: [ 0.870127240000000, 0.392182990000000, 0.394402540000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 5 coordinates: [ 0.629872760000000, 0.892182990000000, 0.394402540000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.870127240000000, 0.607817010000000, 0.894402540000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 7 coordinates: [ 0.370127240000000, 0.892182990000000, 0.105597460000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 8 coordinates: [ 0.129872760000000, 0.607817010000000, 0.605597460000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 9 coordinates: [ 0.181494810000000, 0.063312260000000, 0.910969830000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 10 coordinates: [ 0.318505190000000, 0.436687740000000, 0.410969830000000 ] mass: 28.085500 reduced_to: 10 - symbol: Si # 11 coordinates: [ 0.818505190000000, 0.063312260000000, 0.589030170000000 ] mass: 28.085500 reduced_to: 11 - symbol: Si # 12 coordinates: [ 0.681494810000000, 0.436687740000000, 0.089030170000000 ] mass: 28.085500 reduced_to: 12 - symbol: Si # 13 coordinates: [ 0.818505190000000, 0.936687740000000, 0.089030170000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 14 coordinates: [ 0.681494810000000, 0.563312260000000, 0.589030170000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 15 coordinates: [ 0.181494810000000, 0.936687740000000, 0.410969830000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 16 coordinates: [ 0.318505190000000, 0.563312260000000, 0.910969830000000 ] mass: 28.085500 reduced_to: 16 - symbol: Si # 17 coordinates: [ 0.426260230000000, 0.705695810000000, 0.556464330000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.073739770000000, 0.794304190000000, 0.056464330000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 19 coordinates: [ 0.573739770000000, 0.705695810000000, 0.943535670000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 20 coordinates: [ 0.926260230000000, 0.794304190000000, 0.443535670000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 21 coordinates: [ 0.573739770000000, 0.294304190000000, 0.443535670000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.926260230000000, 0.205695810000000, 0.943535670000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 23 coordinates: [ 0.426260230000000, 0.294304190000000, 0.056464330000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 24 coordinates: [ 0.073739770000000, 0.205695810000000, 0.556464330000000 ] mass: 28.085500 reduced_to: 24 - symbol: Os # 25 coordinates: [ 0.500000000000000, 0.924071660000000, 0.750000000000000 ] mass: 190.230000 reduced_to: 25 - symbol: Os # 26 coordinates: [ 0.000000000000000, 0.575928340000000, 0.250000000000000 ] mass: 190.230000 reduced_to: 26 - symbol: Os # 27 coordinates: [ 0.500000000000000, 0.075928340000000, 0.250000000000000 ] mass: 190.230000 reduced_to: 27 - symbol: Os # 28 coordinates: [ 0.000000000000000, 0.424071660000000, 0.750000000000000 ] mass: 190.230000 reduced_to: 28 - symbol: Os # 29 coordinates: [ 0.500000000000000, 0.461743950000000, 0.750000000000000 ] mass: 190.230000 reduced_to: 29 - symbol: Os # 30 coordinates: [ 0.000000000000000, 0.038256050000000, 0.250000000000000 ] mass: 190.230000 reduced_to: 30 - symbol: Os # 31 coordinates: [ 0.500000000000000, 0.538256050000000, 0.250000000000000 ] mass: 190.230000 reduced_to: 31 - symbol: Os # 32 coordinates: [ 0.000000000000000, 0.961743950000000, 0.750000000000000 ] mass: 190.230000 reduced_to: 32 - symbol: Os # 33 coordinates: [ 0.254599640000000, 0.313258530000000, 0.764038190000000 ] mass: 190.230000 reduced_to: 33 - symbol: Os # 34 coordinates: [ 0.245400360000000, 0.186741470000000, 0.264038190000000 ] mass: 190.230000 reduced_to: 34 - symbol: Os # 35 coordinates: [ 0.745400360000000, 0.313258530000000, 0.735961810000000 ] mass: 190.230000 reduced_to: 35 - symbol: Os # 36 coordinates: [ 0.754599640000000, 0.186741470000000, 0.235961810000000 ] mass: 190.230000 reduced_to: 36 - symbol: Os # 37 coordinates: [ 0.745400360000000, 0.686741470000000, 0.235961810000000 ] mass: 190.230000 reduced_to: 37 - symbol: Os # 38 coordinates: [ 0.754599640000000, 0.813258530000000, 0.735961810000000 ] mass: 190.230000 reduced_to: 38 - symbol: Os # 39 coordinates: [ 0.254599640000000, 0.686741470000000, 0.264038190000000 ] mass: 190.230000 reduced_to: 39 - symbol: Os # 40 coordinates: [ 0.245400360000000, 0.813258530000000, 0.764038190000000 ] mass: 190.230000 reduced_to: 40supercell: lattice: - [ 11.135210649999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.960079830000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.152404060000000 ] # c points: - symbol: Si # 1 coordinates: [ 0.370127240000000, 0.107817010000000, 0.302798730000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 2 coordinates: [ 0.370127240000000, 0.107817010000000, 0.802798730000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 3 coordinates: [ 0.129872760000000, 0.392182990000000, 0.052798730000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 4 coordinates: [ 0.129872760000000, 0.392182990000000, 0.552798730000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 5 coordinates: [ 0.629872760000000, 0.107817010000000, 0.447201270000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.629872760000000, 0.107817010000000, 0.947201270000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 7 coordinates: [ 0.870127240000000, 0.392182990000000, 0.197201270000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 8 coordinates: [ 0.870127240000000, 0.392182990000000, 0.697201270000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 9 coordinates: [ 0.629872760000000, 0.892182990000000, 0.197201270000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 10 coordinates: [ 0.629872760000000, 0.892182990000000, 0.697201270000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 11 coordinates: [ 0.870127240000000, 0.607817010000000, 0.447201270000000 ] mass: 28.085500 reduced_to: 11 - symbol: Si # 12 coordinates: [ 0.870127240000000, 0.607817010000000, 0.947201270000000 ] mass: 28.085500 reduced_to: 11 - symbol: Si # 13 coordinates: [ 0.370127240000000, 0.892182990000000, 0.052798730000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 14 coordinates: [ 0.370127240000000, 0.892182990000000, 0.552798730000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 15 coordinates: [ 0.129872760000000, 0.607817010000000, 0.302798730000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 16 coordinates: [ 0.129872760000000, 0.607817010000000, 0.802798730000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 17 coordinates: [ 0.181494810000000, 0.063312260000000, 0.455484915000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.181494810000000, 0.063312260000000, 0.955484915000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 19 coordinates: [ 0.318505190000000, 0.436687740000000, 0.205484915000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 20 coordinates: [ 0.318505190000000, 0.436687740000000, 0.705484915000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 21 coordinates: [ 0.818505190000000, 0.063312260000000, 0.294515085000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.818505190000000, 0.063312260000000, 0.794515085000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 23 coordinates: [ 0.681494810000000, 0.436687740000000, 0.044515085000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 24 coordinates: [ 0.681494810000000, 0.436687740000000, 0.544515085000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 25 coordinates: [ 0.818505190000000, 0.936687740000000, 0.044515085000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 26 coordinates: [ 0.818505190000000, 0.936687740000000, 0.544515085000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 27 coordinates: [ 0.681494810000000, 0.563312260000000, 0.294515085000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 28 coordinates: [ 0.681494810000000, 0.563312260000000, 0.794515085000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 29 coordinates: [ 0.181494810000000, 0.936687740000000, 0.205484915000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 30 coordinates: [ 0.181494810000000, 0.936687740000000, 0.705484915000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 31 coordinates: [ 0.318505190000000, 0.563312260000000, 0.455484915000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 32 coordinates: [ 0.318505190000000, 0.563312260000000, 0.955484915000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 33 coordinates: [ 0.426260230000000, 0.705695810000000, 0.278232165000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 34 coordinates: [ 0.426260230000000, 0.705695810000000, 0.778232165000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 35 coordinates: [ 0.073739770000000, 0.794304190000000, 0.028232165000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 36 coordinates: [ 0.073739770000000, 0.794304190000000, 0.528232165000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 37 coordinates: [ 0.573739770000000, 0.705695810000000, 0.471767835000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 38 coordinates: [ 0.573739770000000, 0.705695810000000, 0.971767835000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 39 coordinates: [ 0.926260230000000, 0.794304190000000, 0.221767835000000 ] mass: 28.085500 reduced_to: 39 - symbol: Si # 40 coordinates: [ 0.926260230000000, 0.794304190000000, 0.721767835000000 ] mass: 28.085500 reduced_to: 39 - symbol: Si # 41 coordinates: [ 0.573739770000000, 0.294304190000000, 0.221767835000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.573739770000000, 0.294304190000000, 0.721767835000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 43 coordinates: [ 0.926260230000000, 0.205695810000000, 0.471767835000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 44 coordinates: [ 0.926260230000000, 0.205695810000000, 0.971767835000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 45 coordinates: [ 0.426260230000000, 0.294304190000000, 0.028232165000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 46 coordinates: [ 0.426260230000000, 0.294304190000000, 0.528232165000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 47 coordinates: [ 0.073739770000000, 0.205695810000000, 0.278232165000000 ] mass: 28.085500 reduced_to: 47 - symbol: Si # 48 coordinates: [ 0.073739770000000, 0.205695810000000, 0.778232165000000 ] mass: 28.085500 reduced_to: 47 - symbol: Os # 49 coordinates: [ 0.500000000000000, 0.924071660000000, 0.375000000000000 ] mass: 190.230000 reduced_to: 49 - symbol: Os # 50 coordinates: [ 0.500000000000000, 0.924071660000000, 0.875000000000000 ] mass: 190.230000 reduced_to: 49 - symbol: Os # 51 coordinates: [ 0.000000000000000, 0.575928340000000, 0.125000000000000 ] mass: 190.230000 reduced_to: 51 - symbol: Os # 52 coordinates: [ 0.000000000000000, 0.575928340000000, 0.625000000000000 ] mass: 190.230000 reduced_to: 51 - symbol: Os # 53 coordinates: [ 0.500000000000000, 0.075928340000000, 0.125000000000000 ] mass: 190.230000 reduced_to: 53 - symbol: Os # 54 coordinates: [ 0.500000000000000, 0.075928340000000, 0.625000000000000 ] mass: 190.230000 reduced_to: 53 - symbol: Os # 55 coordinates: [ 0.000000000000000, 0.424071660000000, 0.375000000000000 ] mass: 190.230000 reduced_to: 55 - symbol: Os # 56 coordinates: [ 0.000000000000000, 0.424071660000000, 0.875000000000000 ] mass: 190.230000 reduced_to: 55 - symbol: Os # 57 coordinates: [ 0.500000000000000, 0.461743950000000, 0.375000000000000 ] mass: 190.230000 reduced_to: 57 - symbol: Os # 58 coordinates: [ 0.500000000000000, 0.461743950000000, 0.875000000000000 ] mass: 190.230000 reduced_to: 57 - symbol: Os # 59 coordinates: [ 0.000000000000000, 0.038256050000000, 0.125000000000000 ] mass: 190.230000 reduced_to: 59 - symbol: Os # 60 coordinates: [ 0.000000000000000, 0.038256050000000, 0.625000000000000 ] mass: 190.230000 reduced_to: 59 - symbol: Os # 61 coordinates: [ 0.500000000000000, 0.538256050000000, 0.125000000000000 ] mass: 190.230000 reduced_to: 61 - symbol: Os # 62 coordinates: [ 0.500000000000000, 0.538256050000000, 0.625000000000000 ] mass: 190.230000 reduced_to: 61 - symbol: Os # 63 coordinates: [ 0.000000000000000, 0.961743950000000, 0.375000000000000 ] mass: 190.230000 reduced_to: 63 - symbol: Os # 64 coordinates: [ 0.000000000000000, 0.961743950000000, 0.875000000000000 ] mass: 190.230000 reduced_to: 63 - symbol: Os # 65 coordinates: [ 0.254599640000000, 0.313258530000000, 0.382019095000000 ] mass: 190.230000 reduced_to: 65 - symbol: Os # 66 coordinates: [ 0.254599640000000, 0.313258530000000, 0.882019095000000 ] mass: 190.230000 reduced_to: 65 - symbol: Os # 67 coordinates: [ 0.245400360000000, 0.186741470000000, 0.132019095000000 ] mass: 190.230000 reduced_to: 67 - symbol: Os # 68 coordinates: [ 0.245400360000000, 0.186741470000000, 0.632019095000000 ] mass: 190.230000 reduced_to: 67 - symbol: Os # 69 coordinates: [ 0.745400360000000, 0.313258530000000, 0.367980905000000 ] mass: 190.230000 reduced_to: 69 - symbol: Os # 70 coordinates: [ 0.745400360000000, 0.313258530000000, 0.867980905000000 ] mass: 190.230000 reduced_to: 69 - symbol: Os # 71 coordinates: [ 0.754599640000000, 0.186741470000000, 0.117980905000000 ] mass: 190.230000 reduced_to: 71 - symbol: Os # 72 coordinates: [ 0.754599640000000, 0.186741470000000, 0.617980905000000 ] mass: 190.230000 reduced_to: 71 - symbol: Os # 73 coordinates: [ 0.745400360000000, 0.686741470000000, 0.117980905000000 ] mass: 190.230000 reduced_to: 73 - symbol: Os # 74 coordinates: [ 0.745400360000000, 0.686741470000000, 0.617980905000000 ] mass: 190.230000 reduced_to: 73 - symbol: Os # 75 coordinates: [ 0.754599640000000, 0.813258530000000, 0.367980905000000 ] mass: 190.230000 reduced_to: 75 - symbol: Os # 76 coordinates: [ 0.754599640000000, 0.813258530000000, 0.867980905000000 ] mass: 190.230000 reduced_to: 75 - symbol: Os # 77 coordinates: [ 0.254599640000000, 0.686741470000000, 0.132019095000000 ] mass: 190.230000 reduced_to: 77 - symbol: Os # 78 coordinates: [ 0.254599640000000, 0.686741470000000, 0.632019095000000 ] mass: 190.230000 reduced_to: 77 - symbol: Os # 79 coordinates: [ 0.245400360000000, 0.813258530000000, 0.382019095000000 ] mass: 190.230000 reduced_to: 79 - 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