# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ebca63c9-3fc8-4a58-ba45-4da7624311d8/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 PbI2 / P6_3mc (186) / materials id 567542](https://mdr.nims.go.jp/datasets/ee59bfeb-4940-40f9-9a25-33277dfc5a1f)

## 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: "P6_3mc"  number: 186  Hall_symbol: "P 6c -2c"supercell_matrix:- [   3,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     4.526160700000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.263080360000000,     3.919770160000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    27.954476860000000 ] # c  points:  - symbol: Pb # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.750220630000000 ]    mass: 207.200000  - symbol: Pb # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.999780780000000 ]    mass: 207.200000  - symbol: Pb # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.250220630000000 ]    mass: 207.200000  - symbol: Pb # 4    coordinates: [  0.666666670000000,  0.333333330000000,  0.499780780000000 ]    mass: 207.200000  - symbol: I  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.183435630000000 ]    mass: 126.904470  - symbol: I  # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.817047280000000 ]    mass: 126.904470  - symbol: I  # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.066557810000000 ]    mass: 126.904470  - symbol: I  # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.932957860000000 ]    mass: 126.904470  - symbol: I  # 9    coordinates: [  0.666666670000000,  0.333333330000000,  0.683435630000000 ]    mass: 126.904470  - symbol: I  # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.317047280000000 ]    mass: 126.904470  - symbol: I  # 11    coordinates: [  0.333333330000000,  0.666666670000000,  0.432957860000000 ]    mass: 126.904470  - symbol: I  # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.566557810000000 ]    mass: 126.904470  reciprocal_lattice: # without 2pi  - [     0.220937802760737,     0.127558500065059,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.255116999002819,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.035772445501597 ] # c*unit_cell:  lattice:  - [     4.526160700000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.263080360000000,     3.919770160000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    27.954476860000000 ] # c  points:  - symbol: Pb # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.750220630000000 ]    mass: 207.200000    reduced_to: 1  - symbol: Pb # 2    coordinates: [  0.333333330000000,  0.666666670000000,  0.999780780000000 ]    mass: 207.200000    reduced_to: 2  - symbol: Pb # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.250220630000000 ]    mass: 207.200000    reduced_to: 3  - symbol: Pb # 4    coordinates: [  0.666666670000000,  0.333333330000000,  0.499780780000000 ]    mass: 207.200000    reduced_to: 4  - symbol: I  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.183435630000000 ]    mass: 126.904470    reduced_to: 5  - symbol: I  # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.817047280000000 ]    mass: 126.904470    reduced_to: 6  - symbol: I  # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.066557810000000 ]    mass: 126.904470    reduced_to: 7  - symbol: I  # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.932957860000000 ]    mass: 126.904470    reduced_to: 8  - symbol: I  # 9    coordinates: [  0.666666670000000,  0.333333330000000,  0.683435630000000 ]    mass: 126.904470    reduced_to: 9  - symbol: I  # 10    coordinates: [  0.000000000000000,  0.000000000000000,  0.317047280000000 ]    mass: 126.904470    reduced_to: 10  - symbol: I  # 11    coordinates: [  0.333333330000000,  0.666666670000000,  0.432957860000000 ]    mass: 126.904470    reduced_to: 11  - symbol: I  # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.566557810000000 ]    mass: 126.904470    reduced_to: 12supercell:  lattice:  - [    13.578482100000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -6.789241080000000,    11.759310480000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    27.954476860000000 ] # c  points:  - symbol: Pb # 1    coordinates: [  0.111111110000000,  0.222222223333333,  0.750220630000000 ]    mass: 207.200000    reduced_to: 1  - symbol: Pb # 2    coordinates: [  0.444444443333333,  0.222222223333333,  0.750220630000000 ]    mass: 207.200000    reduced_to: 1  - symbol: Pb # 3    coordinates: [  0.777777776666667,  0.222222223333333,  0.750220630000000 ]    mass: 207.200000    reduced_to: 1  - symbol: Pb # 4    coordinates: [  0.111111110000000,  0.555555556666667,  0.750220630000000 ]    mass: 207.200000    reduced_to: 1  - symbol: Pb # 5    coordinates: [  0.444444443333333,  0.555555556666667,  0.750220630000000 ]    mass: 207.200000    reduced_to: 1  - symbol: Pb # 6    coordinates: [  0.777777776666667,  0.555555556666667,  0.750220630000000 ]    mass: 207.200000    reduced_to: 1  - symbol: Pb # 7    coordinates: [  0.111111110000000,  0.888888890000000,  0.750220630000000 ]    mass: 207.200000    reduced_to: 1  - symbol: Pb # 8    coordinates: [  0.444444443333333,  0.888888890000000,  0.750220630000000 ]    mass: 207.200000    reduced_to: 1  - symbol: Pb # 9    coordinates: [  0.777777776666667,  0.888888890000000,  0.750220630000000 ]    mass: 207.200000    reduced_to: 1  - symbol: Pb # 10    coordinates: [  0.111111110000000,  0.222222223333333,  0.999780780000000 ]    mass: 207.200000    reduced_to: 10  - symbol: Pb # 11    coordinates: [  0.444444443333333,  0.222222223333333,  0.999780780000000 ]    mass: 207.200000    reduced_to: 10  - symbol: Pb # 12    coordinates: [  0.777777776666667,  0.222222223333333,  0.999780780000000 ]    mass: 207.200000    reduced_to: 10  - symbol: Pb # 13    coordinates: [  0.111111110000000,  0.555555556666667,  0.999780780000000 ]    mass: 207.200000    reduced_to: 10  - symbol: Pb # 14    coordinates: [  0.444444443333333,  0.555555556666667,  0.999780780000000 ]    mass: 207.200000    reduced_to: 10  - symbol: Pb # 15    coordinates: [  0.777777776666667,  0.555555556666667,  0.999780780000000 ]    mass: 207.200000    reduced_to: 10  - symbol: Pb # 16    coordinates: [  0.111111110000000,  0.888888890000000,  0.999780780000000 ]    mass: 207.200000    reduced_to: 10  - symbol: Pb # 17    coordinates: [  0.444444443333333,  0.888888890000000,  0.999780780000000 ]    mass: 207.200000    reduced_to: 10  - symbol: Pb # 18    coordinates: [  0.777777776666667,  0.888888890000000,  0.999780780000000 ]    mass: 207.200000    reduced_to: 10  - symbol: Pb # 19    coordinates: [  0.222222223333333,  0.111111110000000,  0.250220630000000 ]    mass: 207.200000    reduced_to: 19  - symbol: Pb # 20    coordinates: [  0.555555556666667,  0.111111110000000,  0.250220630000000 ]    mass: 207.200000    reduced_to: 19  - symbol: Pb # 21    coordinates: [  0.888888890000000,  0.111111110000000,  0.250220630000000 ]    mass: 207.200000    reduced_to: 19  - symbol: Pb # 22    coordinates: [  0.222222223333333,  0.444444443333333,  0.250220630000000 ]    mass: 207.200000    reduced_to: 19  - symbol: Pb # 23    coordinates: [  0.555555556666667,  0.444444443333333,  0.250220630000000 ]    mass: 207.200000    reduced_to: 19  - symbol: Pb # 24    coordinates: [  0.888888890000000,  0.444444443333333,  0.250220630000000 ]    mass: 207.200000    reduced_to: 19  - symbol: Pb # 25    coordinates: [  0.222222223333333,  0.777777776666667,  0.250220630000000 ]    mass: 207.200000    reduced_to: 19  - symbol: Pb # 26    coordinates: [  0.555555556666667,  0.777777776666667,  0.250220630000000 ]    mass: 207.200000    reduced_to: 19  - symbol: Pb # 27    coordinates: [  0.888888890000000,  0.777777776666667,  0.250220630000000 ]    mass: 207.200000    reduced_to: 19  - symbol: Pb # 28    coordinates: [  0.222222223333333,  0.111111110000000,  0.499780780000000 ]    mass: 207.200000    reduced_to: 28  - symbol: Pb # 29    coordinates: [  0.555555556666667,  0.111111110000000,  0.499780780000000 ]    mass: 207.200000    reduced_to: 28  - symbol: Pb # 30    coordinates: [  0.888888890000000,  0.111111110000000,  0.499780780000000 ]    mass: 207.200000    reduced_to: 28  - symbol: Pb # 31    coordinates: [  0.222222223333333,  0.444444443333333,  0.499780780000000 ]    mass: 207.200000    reduced_to: 28  - symbol: Pb # 32    coordinates: [  0.555555556666667,  0.444444443333333,  0.499780780000000 ]    mass: 207.200000    reduced_to: 28  - symbol: Pb # 33    coordinates: [  0.888888890000000,  0.444444443333333,  0.499780780000000 ]    mass: 207.200000    reduced_to: 28  - symbol: Pb # 34    coordinates: [  0.222222223333333,  0.777777776666667,  0.499780780000000 ]    mass: 207.200000    reduced_to: 28  - symbol: Pb # 35    coordinates: [  0.555555556666667,  0.777777776666667,  0.499780780000000 ]    mass: 207.200000    reduced_to: 28  - symbol: Pb # 36    coordinates: [  0.888888890000000,  0.777777776666667,  0.499780780000000 ]    mass: 207.200000    reduced_to: 28  - symbol: I  # 37    coordinates: [  0.111111110000000,  0.222222223333333,  0.183435630000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 38    coordinates: [  0.444444443333333,  0.222222223333333,  0.183435630000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 39    coordinates: [  0.777777776666667,  0.222222223333333,  0.183435630000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 40    coordinates: [  0.111111110000000,  0.555555556666667,  0.183435630000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 41    coordinates: [  0.444444443333333,  0.555555556666667,  0.183435630000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 42    coordinates: [  0.777777776666667,  0.555555556666667,  0.183435630000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 43    coordinates: [  0.111111110000000,  0.888888890000000,  0.183435630000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 44    coordinates: [  0.444444443333333,  0.888888890000000,  0.183435630000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 45    coordinates: [  0.777777776666667,  0.888888890000000,  0.183435630000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 46    coordinates: [  0.000000000000000,  0.000000000000000,  0.817047280000000 ]    mass: 126.904470    reduced_to: 46  - symbol: I  # 47    coordinates: [  0.333333333333333,  0.000000000000000,  0.817047280000000 ]    mass: 126.904470    reduced_to: 46  - symbol: I  # 48    coordinates: [  0.666666666666667,  0.000000000000000,  0.817047280000000 ]    mass: 126.904470    reduced_to: 46  - symbol: I  # 49    coordinates: [  0.000000000000000,  0.333333333333333,  0.817047280000000 ]    mass: 126.904470    reduced_to: 46  - symbol: I  # 50    coordinates: [  0.333333333333333,  0.333333333333333,  0.817047280000000 ]    mass: 126.904470    reduced_to: 46  - symbol: I  # 51    coordinates: [  0.666666666666667,  0.333333333333333,  0.817047280000000 ]    mass: 126.904470    reduced_to: 46  - symbol: I  # 52    coordinates: [  0.000000000000000,  0.666666666666667,  0.817047280000000 ]    mass: 126.904470    reduced_to: 46  - symbol: I  # 53    coordinates: [  0.333333333333333,  0.666666666666667,  0.817047280000000 ]    mass: 126.904470    reduced_to: 46  - symbol: I  # 54    coordinates: [  0.666666666666667,  0.666666666666667,  0.817047280000000 ]    mass: 126.904470    reduced_to: 46  - symbol: I  # 55    coordinates: [  0.000000000000000,  0.000000000000000,  0.066557810000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 56    coordinates: [  0.333333333333333,  0.000000000000000,  0.066557810000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 57    coordinates: [  0.666666666666667,  0.000000000000000,  0.066557810000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 58    coordinates: [  0.000000000000000,  0.333333333333333,  0.066557810000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 59    coordinates: [  0.333333333333333,  0.333333333333333,  0.066557810000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 60    coordinates: [  0.666666666666667,  0.333333333333333,  0.066557810000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 61    coordinates: [  0.000000000000000,  0.666666666666667,  0.066557810000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 62    coordinates: [  0.333333333333333,  0.666666666666667,  0.066557810000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 63    coordinates: [  0.666666666666667,  0.666666666666667,  0.066557810000000 ]    mass: 126.904470    reduced_to: 55  - symbol: I  # 64    coordinates: [  0.222222223333333,  0.111111110000000,  0.932957860000000 ]    mass: 126.904470    reduced_to: 64  - symbol: I  # 65    coordinates: [  0.555555556666667,  0.111111110000000,  0.932957860000000 ]    mass: 126.904470    reduced_to: 64  - symbol: I  # 66    coordinates: [  0.888888890000000,  0.111111110000000,  0.932957860000000 ]    mass: 126.904470    reduced_to: 64  - symbol: I  # 67    coordinates: [  0.222222223333333,  0.444444443333333,  0.932957860000000 ]    mass: 126.904470    reduced_to: 64  - symbol: I  # 68    coordinates: [  0.555555556666667,  0.444444443333333,  0.932957860000000 ]    mass: 126.904470    reduced_to: 64  - symbol: I  # 69    coordinates: [  0.888888890000000,  0.444444443333333,  0.932957860000000 ]    mass: 126.904470    reduced_to: 64  - symbol: I  # 70    coordinates: [  0.222222223333333,  0.777777776666667,  0.932957860000000 ]    mass: 126.904470    reduced_to: 64  - symbol: I  # 71    coordinates: [  0.555555556666667,  0.777777776666667,  0.932957860000000 ]    mass: 126.904470    reduced_to: 64  - symbol: I  # 72    coordinates: [  0.888888890000000,  0.777777776666667,  0.932957860000000 ]    mass: 126.904470    reduced_to: 64  - symbol: I  # 73    coordinates: [  0.222222223333333,  0.111111110000000,  0.683435630000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 74    coordinates: [  0.555555556666667,  0.111111110000000,  0.683435630000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 75    coordinates: [  0.888888890000000,  0.111111110000000,  0.683435630000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 76    coordinates: [  0.222222223333333,  0.444444443333333,  0.683435630000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 77    coordinates: [  0.555555556666667,  0.444444443333333,  0.683435630000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 78    coordinates: [  0.888888890000000,  0.444444443333333,  0.683435630000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 79    coordinates: [  0.222222223333333,  0.777777776666667,  0.683435630000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 80    coordinates: [  0.555555556666667,  0.777777776666667,  0.683435630000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 81    coordinates: [  0.888888890000000,  0.777777776666667,  0.683435630000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 82    coordinates: [  0.000000000000000,  0.000000000000000,  0.317047280000000 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 83    coordinates: [  0.333333333333333,  0.000000000000000,  0.317047280000000 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 84    coordinates: [  0.666666666666667,  0.000000000000000,  0.317047280000000 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 85    coordinates: [  0.000000000000000,  0.333333333333333,  0.317047280000000 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 86    coordinates: [  0.333333333333333,  0.333333333333333,  0.317047280000000 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 87    coordinates: [  0.666666666666667,  0.333333333333333,  0.317047280000000 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 88    coordinates: [  0.000000000000000,  0.666666666666667,  0.317047280000000 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 89    coordinates: [  0.333333333333333,  0.666666666666667,  0.317047280000000 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 90    coordinates: [  0.666666666666667,  0.666666666666667,  0.317047280000000 ]    mass: 126.904470    reduced_to: 82  - symbol: I  # 91    coordinates: [  0.111111110000000,  0.222222223333333,  0.432957860000000 ]    mass: 126.904470    reduced_to: 91  - symbol: I  # 92    coordinates: [  0.444444443333333,  0.222222223333333,  0.432957860000000 ]    mass: 126.904470    reduced_to: 91  - symbol: I  # 93    coordinates: [  0.777777776666667,  0.222222223333333,  0.432957860000000 ]    mass: 126.904470    reduced_to: 91  - symbol: I  # 94    coordinates: [  0.111111110000000,  0.555555556666667,  0.432957860000000 ]    mass: 126.904470    reduced_to: 91  - symbol: I  # 95    coordinates: [  0.444444443333333,  0.555555556666667,  0.432957860000000 ]    mass: 126.904470    reduced_to: 91  - symbol: I  # 96    coordinates: [  0.777777776666667,  0.555555556666667,  0.432957860000000 ]    mass: 126.904470    reduced_to: 91  - symbol: I  # 97    coordinates: [  0.111111110000000,  0.888888890000000,  0.432957860000000 ]    mass: 126.904470    reduced_to: 91  - symbol: I  # 98    coordinates: [  0.444444443333333,  0.888888890000000,  0.432957860000000 ]    mass: 126.904470    reduced_to: 91  - symbol: I  # 99    coordinates: [  0.777777776666667,  0.888888890000000,  0.432957860000000 ]    mass: 126.904470    reduced_to: 91  - symbol: I  # 100    coordinates: [  0.000000000000000,  0.000000000000000,  0.566557810000000 ]    mass: 126.904470    reduced_to: 100  - symbol: I  # 101    coordinates: [  0.333333333333333,  0.000000000000000,  0.566557810000000 ]    mass: 126.904470    reduced_to: 100  - symbol: I  # 102    coordinates: [  0.666666666666667,  0.000000000000000,  0.566557810000000 ]    mass: 126.904470    reduced_to: 100  - symbol: I  # 103    coordinates: [  0.000000000000000,  0.333333333333333,  0.566557810000000 ]    mass: 126.904470    reduced_to: 100  - symbol: I  # 104    coordinates: [  0.333333333333333,  0.333333333333333,  0.566557810000000 ]    mass: 126.904470    reduced_to: 100  - symbol: I  # 105    coordinates: [  0.666666666666667,  0.333333333333333,  0.566557810000000 ]    mass: 126.904470    reduced_to: 100  - symbol: I  # 106    coordinates: [  0.000000000000000,  0.666666666666667,  0.566557810000000 ]    mass: 126.904470    reduced_to: 100  - symbol: I  # 107    coordinates: [  0.333333333333333,  0.666666666666667,  0.566557810000000 ]    mass: 126.904470    reduced_to: 100  - symbol: I  # 108    coordinates: [  0.666666666666667,  0.666666666666667,  0.566557810000000 ]    mass: 126.904470    reduced_to: 100born_effective_charge:- # 1 (Pb)  - [  4.093227140000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  4.093227140000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.822891830000000 ]- # 2 (Pb)  - [  4.064739150000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  4.064739150000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.842526670000000 ]- # 3 (Pb)  - [  4.093227140000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.093227140000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.822891830000000 ]- # 4 (Pb)  - [  4.064739150000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.064739150000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.842526670000000 ]- # 5 (I)  - [ -2.033642090000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.033642090000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.908609720000000 ]- # 6 (I)  - [ -2.041065980000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.041065980000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.910601700000000 ]- # 7 (I)  - [ -2.051785860000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.051785860000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.934688690000000 ]- # 8 (I)  - [ -2.031472350000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.031472350000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.911518380000000 ]- # 9 (I)  - [ -2.033642090000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.033642090000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.908609720000000 ]- # 10 (I)  - [ -2.041065980000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -2.041065980000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.910601700000000 ]- # 11 (I)  - [ -2.031472350000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.031472350000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -0.911518380000000 ]- # 12 (I)  - 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