# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7ad6c8d0-7f78-471d-b1c7-7978d9038981/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 CuW3Br7 / Pn-3 (201) / materials id 23370](https://mdr.nims.go.jp/datasets/2e42f838-e88b-41d0-a78b-e5e80a3e5b29)

## 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: "Pn-3"  number: 201  Hall_symbol: "P 2 2 3 -1n"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    13.407314400000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.407314400000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.407314400000001 ] # c  points:  - symbol: Cu # 1    coordinates: [  0.692769160000000,  0.692769160000000,  0.692769160000000 ]    mass: 63.546000  - symbol: Cu # 2    coordinates: [  0.307230840000000,  0.307230840000000,  0.692769160000000 ]    mass: 63.546000  - symbol: Cu # 3    coordinates: [  0.692769160000000,  0.307230840000000,  0.307230840000000 ]    mass: 63.546000  - symbol: Cu # 4    coordinates: [  0.307230840000000,  0.692769160000000,  0.307230840000000 ]    mass: 63.546000  - symbol: Cu # 5    coordinates: [  0.807230840000000,  0.807230840000000,  0.807230840000000 ]    mass: 63.546000  - symbol: Cu # 6    coordinates: [  0.192769160000000,  0.192769160000000,  0.807230840000000 ]    mass: 63.546000  - symbol: Cu # 7    coordinates: [  0.807230840000000,  0.192769160000000,  0.192769160000000 ]    mass: 63.546000  - symbol: Cu # 8    coordinates: [  0.192769160000000,  0.807230840000000,  0.192769160000000 ]    mass: 63.546000  - symbol: Br # 9    coordinates: [  0.173105740000000,  0.936354310000000,  0.623213300000000 ]    mass: 79.904000  - symbol: Br # 10    coordinates: [  0.623213300000000,  0.173105740000000,  0.936354310000000 ]    mass: 79.904000  - symbol: Br # 11    coordinates: [  0.936354310000000,  0.623213300000000,  0.173105740000000 ]    mass: 79.904000  - symbol: Br # 12    coordinates: [  0.063645690000000,  0.376786700000000,  0.173105740000000 ]    mass: 79.904000  - symbol: Br # 13    coordinates: [  0.623213300000000,  0.826894260000000,  0.063645690000000 ]    mass: 79.904000  - symbol: Br # 14    coordinates: [  0.063645690000000,  0.623213300000000,  0.826894260000000 ]    mass: 79.904000  - symbol: Br # 15    coordinates: [  0.376786700000000,  0.826894260000000,  0.936354310000000 ]    mass: 79.904000  - symbol: Br # 16    coordinates: [  0.376786700000000,  0.173105740000000,  0.063645690000000 ]    mass: 79.904000  - symbol: Br # 17    coordinates: [  0.936354310000000,  0.376786700000000,  0.826894260000000 ]    mass: 79.904000  - symbol: Br # 18    coordinates: [  0.173105740000000,  0.063645690000000,  0.376786700000000 ]    mass: 79.904000  - symbol: Br # 19    coordinates: [  0.826894260000000,  0.936354310000000,  0.376786700000000 ]    mass: 79.904000  - symbol: Br # 20    coordinates: [  0.826894260000000,  0.063645690000000,  0.623213300000000 ]    mass: 79.904000  - symbol: Br # 21    coordinates: [  0.326894260000000,  0.563645690000000,  0.876786700000000 ]    mass: 79.904000  - symbol: Br # 22    coordinates: [  0.876786700000000,  0.326894260000000,  0.563645690000000 ]    mass: 79.904000  - symbol: Br # 23    coordinates: [  0.563645690000000,  0.876786700000000,  0.326894260000000 ]    mass: 79.904000  - symbol: Br # 24    coordinates: [  0.436354310000000,  0.123213300000000,  0.326894260000000 ]    mass: 79.904000  - symbol: Br # 25    coordinates: [  0.876786700000000,  0.673105740000000,  0.436354310000000 ]    mass: 79.904000  - symbol: Br # 26    coordinates: [  0.436354310000000,  0.876786700000000,  0.673105740000000 ]    mass: 79.904000  - symbol: Br # 27    coordinates: [  0.123213300000000,  0.673105740000000,  0.563645690000000 ]    mass: 79.904000  - symbol: Br # 28    coordinates: [  0.123213300000000,  0.326894260000000,  0.436354310000000 ]    mass: 79.904000  - symbol: Br # 29    coordinates: [  0.563645690000000,  0.123213300000000,  0.673105740000000 ]    mass: 79.904000  - symbol: Br # 30    coordinates: [  0.326894260000000,  0.436354310000000,  0.123213300000000 ]    mass: 79.904000  - symbol: Br # 31    coordinates: [  0.673105740000000,  0.563645690000000,  0.123213300000000 ]    mass: 79.904000  - symbol: Br # 32    coordinates: [  0.673105740000000,  0.436354310000000,  0.876786700000000 ]    mass: 79.904000  - symbol: Br # 33    coordinates: [  0.568359840000000,  0.672614120000000,  0.815179350000000 ]    mass: 79.904000  - symbol: Br # 34    coordinates: [  0.815179350000000,  0.568359840000000,  0.672614120000000 ]    mass: 79.904000  - symbol: Br # 35    coordinates: [  0.672614120000000,  0.815179350000000,  0.568359840000000 ]    mass: 79.904000  - symbol: Br # 36    coordinates: [  0.327385880000000,  0.184820650000000,  0.568359840000000 ]    mass: 79.904000  - symbol: Br # 37    coordinates: [  0.815179350000000,  0.431640160000000,  0.327385880000000 ]    mass: 79.904000  - symbol: Br # 38    coordinates: [  0.327385880000000,  0.815179350000000,  0.431640160000000 ]    mass: 79.904000  - symbol: Br # 39    coordinates: [  0.184820650000000,  0.431640160000000,  0.672614120000000 ]    mass: 79.904000  - symbol: Br # 40    coordinates: [  0.184820650000000,  0.568359840000000,  0.327385880000000 ]    mass: 79.904000  - symbol: Br # 41    coordinates: [  0.672614120000000,  0.184820650000000,  0.431640160000000 ]    mass: 79.904000  - symbol: Br # 42    coordinates: [  0.568359840000000,  0.327385880000000,  0.184820650000000 ]    mass: 79.904000  - symbol: Br # 43    coordinates: [  0.431640160000000,  0.672614120000000,  0.184820650000000 ]    mass: 79.904000  - symbol: Br # 44    coordinates: [  0.431640160000000,  0.327385880000000,  0.815179350000000 ]    mass: 79.904000  - symbol: Br # 45    coordinates: [  0.931640160000000,  0.827385880000000,  0.684820650000000 ]    mass: 79.904000  - symbol: Br # 46    coordinates: [  0.684820650000000,  0.931640160000000,  0.827385880000000 ]    mass: 79.904000  - symbol: Br # 47    coordinates: [  0.827385880000000,  0.684820650000000,  0.931640160000000 ]    mass: 79.904000  - symbol: Br # 48    coordinates: [  0.172614120000000,  0.315179350000000,  0.931640160000000 ]    mass: 79.904000  - symbol: Br # 49    coordinates: [  0.684820650000000,  0.068359840000000,  0.172614120000000 ]    mass: 79.904000  - symbol: Br # 50    coordinates: [  0.172614120000000,  0.684820650000000,  0.068359840000000 ]    mass: 79.904000  - symbol: Br # 51    coordinates: [  0.315179350000000,  0.068359840000000,  0.827385880000000 ]    mass: 79.904000  - symbol: Br # 52    coordinates: [  0.315179350000000,  0.931640160000000,  0.172614120000000 ]    mass: 79.904000  - symbol: Br # 53    coordinates: [  0.827385880000000,  0.315179350000000,  0.068359840000000 ]    mass: 79.904000  - symbol: Br # 54    coordinates: [  0.931640160000000,  0.172614120000000,  0.315179350000000 ]    mass: 79.904000  - symbol: Br # 55    coordinates: [  0.068359840000000,  0.827385880000000,  0.315179350000000 ]    mass: 79.904000  - symbol: Br # 56    coordinates: [  0.068359840000000,  0.172614120000000,  0.684820650000000 ]    mass: 79.904000  - symbol: Br # 57    coordinates: [  0.388352940000000,  0.388352940000000,  0.388352940000000 ]    mass: 79.904000  - symbol: Br # 58    coordinates: [  0.611647060000000,  0.611647060000000,  0.388352940000000 ]    mass: 79.904000  - symbol: Br # 59    coordinates: [  0.388352940000000,  0.611647060000000,  0.611647060000000 ]    mass: 79.904000  - symbol: Br # 60    coordinates: [  0.611647060000000,  0.388352940000000,  0.611647060000000 ]    mass: 79.904000  - symbol: Br # 61    coordinates: [  0.111647060000000,  0.111647060000000,  0.111647060000000 ]    mass: 79.904000  - symbol: Br # 62    coordinates: [  0.888352940000000,  0.888352940000000,  0.111647060000000 ]    mass: 79.904000  - symbol: Br # 63    coordinates: [  0.111647060000000,  0.888352940000000,  0.888352940000000 ]    mass: 79.904000  - symbol: Br # 64    coordinates: [  0.888352940000000,  0.111647060000000,  0.888352940000000 ]    mass: 79.904000  - symbol: W  # 65    coordinates: [  0.274502790000000,  0.883213820000000,  0.780324850000000 ]    mass: 183.840000  - symbol: W  # 66    coordinates: [  0.780324850000000,  0.274502790000000,  0.883213820000000 ]    mass: 183.840000  - symbol: W  # 67    coordinates: [  0.883213820000000,  0.780324850000000,  0.274502790000000 ]    mass: 183.840000  - symbol: W  # 68    coordinates: [  0.116786180000000,  0.219675150000000,  0.274502790000000 ]    mass: 183.840000  - symbol: W  # 69    coordinates: [  0.780324850000000,  0.725497210000000,  0.116786180000000 ]    mass: 183.840000  - symbol: W  # 70    coordinates: [  0.116786180000000,  0.780324850000000,  0.725497210000000 ]    mass: 183.840000  - symbol: W  # 71    coordinates: [  0.219675150000000,  0.725497210000000,  0.883213820000000 ]    mass: 183.840000  - symbol: W  # 72    coordinates: [  0.219675150000000,  0.274502790000000,  0.116786180000000 ]    mass: 183.840000  - symbol: W  # 73    coordinates: [  0.883213820000000,  0.219675150000000,  0.725497210000000 ]    mass: 183.840000  - symbol: W  # 74    coordinates: [  0.274502790000000,  0.116786180000000,  0.219675150000000 ]    mass: 183.840000  - symbol: W  # 75    coordinates: [  0.725497210000000,  0.883213820000000,  0.219675150000000 ]    mass: 183.840000  - symbol: W  # 76    coordinates: [  0.725497210000000,  0.116786180000000,  0.780324850000000 ]    mass: 183.840000  - symbol: W  # 77    coordinates: [  0.225497210000000,  0.616786180000000,  0.719675150000000 ]    mass: 183.840000  - symbol: W  # 78    coordinates: [  0.719675150000000,  0.225497210000000,  0.616786180000000 ]    mass: 183.840000  - symbol: W  # 79    coordinates: [  0.616786180000000,  0.719675150000000,  0.225497210000000 ]    mass: 183.840000  - symbol: W  # 80    coordinates: [  0.383213820000000,  0.280324850000000,  0.225497210000000 ]    mass: 183.840000  - symbol: W  # 81    coordinates: [  0.719675150000000,  0.774502790000000,  0.383213820000000 ]    mass: 183.840000  - symbol: W  # 82    coordinates: [  0.383213820000000,  0.719675150000000,  0.774502790000000 ]    mass: 183.840000  - symbol: W  # 83    coordinates: [  0.280324850000000,  0.774502790000000,  0.616786180000000 ]    mass: 183.840000  - symbol: W  # 84    coordinates: [  0.280324850000000,  0.225497210000000,  0.383213820000000 ]    mass: 183.840000  - symbol: W  # 85    coordinates: [  0.616786180000000,  0.280324850000000,  0.774502790000000 ]    mass: 183.840000  - symbol: W  # 86    coordinates: [  0.225497210000000,  0.383213820000000,  0.280324850000000 ]    mass: 183.840000  - symbol: W  # 87    coordinates: [  0.774502790000000,  0.616786180000000,  0.280324850000000 ]    mass: 183.840000  - symbol: W  # 88    coordinates: [  0.774502790000000,  0.383213820000000,  0.719675150000000 ]    mass: 183.840000  reciprocal_lattice: # without 2pi  - [     0.074586152764494,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.074586152764494,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.074586152764494 ] # c*unit_cell:  lattice:  - [    13.407314400000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    13.407314400000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.407314400000001 ] # c  points:  - symbol: Cu # 1    coordinates: [  0.692769160000000,  0.692769160000000,  0.692769160000000 ]    mass: 63.546000    reduced_to: 1  - symbol: Cu # 2    coordinates: [  0.307230840000000,  0.307230840000000,  0.692769160000000 ]    mass: 63.546000    reduced_to: 2  - symbol: Cu # 3    coordinates: [  0.692769160000000,  0.307230840000000,  0.307230840000000 ]    mass: 63.546000    reduced_to: 3  - symbol: Cu # 4    coordinates: [  0.307230840000000,  0.692769160000000,  0.307230840000000 ]    mass: 63.546000    reduced_to: 4  - symbol: Cu # 5    coordinates: [  0.807230840000000,  0.807230840000000,  0.807230840000000 ]    mass: 63.546000    reduced_to: 5  - symbol: Cu # 6    coordinates: [  0.192769160000000,  0.192769160000000,  0.807230840000000 ]    mass: 63.546000    reduced_to: 6  - symbol: Cu # 7    coordinates: [  0.807230840000000,  0.192769160000000,  0.192769160000000 ]    mass: 63.546000    reduced_to: 7  - symbol: Cu # 8    coordinates: [  0.192769160000000,  0.807230840000000,  0.192769160000000 ]    mass: 63.546000    reduced_to: 8  - symbol: Br # 9    coordinates: [  0.173105740000000,  0.936354310000000,  0.623213300000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 10    coordinates: [  0.623213300000000,  0.173105740000000,  0.936354310000000 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 11    coordinates: [  0.936354310000000,  0.623213300000000,  0.173105740000000 ]    mass: 79.904000    reduced_to: 11  - symbol: Br # 12    coordinates: [  0.063645690000000,  0.376786700000000,  0.173105740000000 ]    mass: 79.904000    reduced_to: 12  - symbol: Br # 13    coordinates: [  0.623213300000000,  0.826894260000000,  0.063645690000000 ]    mass: 79.904000    reduced_to: 13  - symbol: Br # 14    coordinates: [  0.063645690000000,  0.623213300000000,  0.826894260000000 ]    mass: 79.904000    reduced_to: 14  - symbol: Br # 15    coordinates: [  0.376786700000000,  0.826894260000000,  0.936354310000000 ]    mass: 79.904000    reduced_to: 15  - symbol: Br # 16    coordinates: [  0.376786700000000,  0.173105740000000,  0.063645690000000 ]    mass: 79.904000    reduced_to: 16  - symbol: Br # 17    coordinates: [  0.936354310000000,  0.376786700000000,  0.826894260000000 ]    mass: 79.904000    reduced_to: 17  - symbol: Br # 18    coordinates: [  0.173105740000000,  0.063645690000000,  0.376786700000000 ]    mass: 79.904000    reduced_to: 18  - symbol: Br # 19    coordinates: [  0.826894260000000,  0.936354310000000,  0.376786700000000 ]    mass: 79.904000    reduced_to: 19  - symbol: Br # 20    coordinates: [  0.826894260000000,  0.063645690000000,  0.623213300000000 ]    mass: 79.904000    reduced_to: 20  - symbol: Br # 21    coordinates: [  0.326894260000000,  0.563645690000000,  0.876786700000000 ]    mass: 79.904000    reduced_to: 21  - symbol: Br # 22    coordinates: [  0.876786700000000,  0.326894260000000,  0.563645690000000 ]    mass: 79.904000    reduced_to: 22  - symbol: Br # 23    coordinates: [  0.563645690000000,  0.876786700000000,  0.326894260000000 ]    mass: 79.904000    reduced_to: 23  - symbol: Br # 24    coordinates: [  0.436354310000000,  0.123213300000000,  0.326894260000000 ]    mass: 79.904000    reduced_to: 24  - symbol: Br # 25    coordinates: [  0.876786700000000,  0.673105740000000,  0.436354310000000 ]    mass: 79.904000    reduced_to: 25  - symbol: Br # 26    coordinates: [  0.436354310000000,  0.876786700000000,  0.673105740000000 ]    mass: 79.904000    reduced_to: 26  - symbol: Br # 27    coordinates: [  0.123213300000000,  0.673105740000000,  0.563645690000000 ]    mass: 79.904000    reduced_to: 27  - symbol: Br # 28    coordinates: [  0.123213300000000,  0.326894260000000,  0.436354310000000 ]    mass: 79.904000    reduced_to: 28  - symbol: Br # 29    coordinates: [  0.563645690000000,  0.123213300000000,  0.673105740000000 ]    mass: 79.904000    reduced_to: 29  - symbol: Br # 30    coordinates: [  0.326894260000000,  0.436354310000000,  0.123213300000000 ]    mass: 79.904000    reduced_to: 30  - symbol: Br # 31    coordinates: [  0.673105740000000,  0.563645690000000,  0.123213300000000 ]    mass: 79.904000    reduced_to: 31  - symbol: Br # 32    coordinates: [  0.673105740000000,  0.436354310000000,  0.876786700000000 ]    mass: 79.904000    reduced_to: 32  - symbol: Br # 33    coordinates: [  0.568359840000000,  0.672614120000000,  0.815179350000000 ]    mass: 79.904000    reduced_to: 33  - symbol: Br # 34    coordinates: [  0.815179350000000,  0.568359840000000,  0.672614120000000 ]    mass: 79.904000    reduced_to: 34  - symbol: Br # 35    coordinates: [  0.672614120000000,  0.815179350000000,  0.568359840000000 ]    mass: 79.904000    reduced_to: 35  - symbol: Br # 36    coordinates: [  0.327385880000000,  0.184820650000000,  0.568359840000000 ]    mass: 79.904000    reduced_to: 36  - symbol: Br # 37    coordinates: [  0.815179350000000,  0.431640160000000,  0.327385880000000 ]    mass: 79.904000    reduced_to: 37  - symbol: Br # 38    coordinates: [  0.327385880000000,  0.815179350000000,  0.431640160000000 ]    mass: 79.904000    reduced_to: 38  - symbol: Br # 39    coordinates: [  0.184820650000000,  0.431640160000000,  0.672614120000000 ]    mass: 79.904000    reduced_to: 39  - symbol: Br # 40    coordinates: [  0.184820650000000,  0.568359840000000,  0.327385880000000 ]    mass: 79.904000    reduced_to: 40  - symbol: Br # 41    coordinates: [  0.672614120000000,  0.184820650000000,  0.431640160000000 ]    mass: 79.904000    reduced_to: 41  - symbol: Br # 42    coordinates: [  0.568359840000000,  0.327385880000000,  0.184820650000000 ]    mass: 79.904000    reduced_to: 42  - symbol: Br # 43    coordinates: [  0.431640160000000,  0.672614120000000,  0.184820650000000 ]    mass: 79.904000    reduced_to: 43  - symbol: Br # 44    coordinates: [  0.431640160000000,  0.327385880000000,  0.815179350000000 ]    mass: 79.904000    reduced_to: 44  - symbol: Br # 45    coordinates: [  0.931640160000000,  0.827385880000000,  0.684820650000000 ]    mass: 79.904000    reduced_to: 45  - symbol: Br # 46    coordinates: [  0.684820650000000,  0.931640160000000,  0.827385880000000 ]    mass: 79.904000    reduced_to: 46  - symbol: Br # 47    coordinates: [  0.827385880000000,  0.684820650000000,  0.931640160000000 ]    mass: 79.904000    reduced_to: 47  - symbol: Br # 48    coordinates: [  0.172614120000000,  0.315179350000000,  0.931640160000000 ]    mass: 79.904000    reduced_to: 48  - symbol: Br # 49    coordinates: [  0.684820650000000,  0.068359840000000,  0.172614120000000 ]    mass: 79.904000    reduced_to: 49  - 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symbol: Br # 58    coordinates: [  0.611647060000000,  0.611647060000000,  0.388352940000000 ]    mass: 79.904000    reduced_to: 58  - symbol: Br # 59    coordinates: [  0.388352940000000,  0.611647060000000,  0.611647060000000 ]    mass: 79.904000    reduced_to: 59  - symbol: Br # 60    coordinates: [  0.611647060000000,  0.388352940000000,  0.611647060000000 ]    mass: 79.904000    reduced_to: 60  - symbol: Br # 61    coordinates: [  0.111647060000000,  0.111647060000000,  0.111647060000000 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 62    coordinates: [  0.888352940000000,  0.888352940000000,  0.111647060000000 ]    mass: 79.904000    reduced_to: 62  - symbol: Br # 63    coordinates: [  0.111647060000000,  0.888352940000000,  0.888352940000000 ]    mass: 79.904000    reduced_to: 63  - symbol: Br # 64    coordinates: [  0.888352940000000,  0.111647060000000,  0.888352940000000 ]    mass: 79.904000    reduced_to: 64  - symbol: W  # 65    coordinates: [  0.274502790000000,  0.883213820000000,  0.780324850000000 ]    mass: 183.840000    reduced_to: 65  - 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symbol: Cu # 8    coordinates: [  0.192769160000000,  0.807230840000000,  0.192769160000000 ]    mass: 63.546000    reduced_to: 8  - symbol: Br # 9    coordinates: [  0.173105740000000,  0.936354310000000,  0.623213300000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 10    coordinates: [  0.623213300000000,  0.173105740000000,  0.936354310000000 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 11    coordinates: [  0.936354310000000,  0.623213300000000,  0.173105740000000 ]    mass: 79.904000    reduced_to: 11  - symbol: Br # 12    coordinates: [  0.063645690000000,  0.376786700000000,  0.173105740000000 ]    mass: 79.904000    reduced_to: 12  - symbol: Br # 13    coordinates: [  0.623213300000000,  0.826894260000000,  0.063645690000000 ]    mass: 79.904000    reduced_to: 13  - symbol: Br # 14    coordinates: [  0.063645690000000,  0.623213300000000,  0.826894260000000 ]    mass: 79.904000    reduced_to: 14  - symbol: Br # 15    coordinates: [  0.376786700000000,  0.826894260000000,  0.936354310000000 ]    mass: 79.904000    reduced_to: 15  - 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symbol: Br # 64    coordinates: [  0.888352940000000,  0.111647060000000,  0.888352940000000 ]    mass: 79.904000    reduced_to: 64  - symbol: W  # 65    coordinates: [  0.274502790000000,  0.883213820000000,  0.780324850000000 ]    mass: 183.840000    reduced_to: 65  - symbol: W  # 66    coordinates: [  0.780324850000000,  0.274502790000000,  0.883213820000000 ]    mass: 183.840000    reduced_to: 66  - symbol: W  # 67    coordinates: [  0.883213820000000,  0.780324850000000,  0.274502790000000 ]    mass: 183.840000    reduced_to: 67  - symbol: W  # 68    coordinates: [  0.116786180000000,  0.219675150000000,  0.274502790000000 ]    mass: 183.840000    reduced_to: 68  - symbol: W  # 69    coordinates: [  0.780324850000000,  0.725497210000000,  0.116786180000000 ]    mass: 183.840000    reduced_to: 69  - symbol: W  # 70    coordinates: [  0.116786180000000,  0.780324850000000,  0.725497210000000 ]    mass: 183.840000    reduced_to: 70  - symbol: W  # 71    coordinates: [  0.219675150000000,  0.725497210000000,  0.883213820000000 ]    mass: 183.840000    reduced_to: 71  - 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