# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f2d22783-2d0d-42ac-a929-4934c819cd5d/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 ZnS / P6_3mc (186) / materials id 9946](https://mdr.nims.go.jp/datasets/7762fc99-a60b-4812-9329-ffb2fae842c6)

## 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:  - [     3.785350320000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.892675150000000,     3.278209530000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    18.569151030000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.041874120000000 ]    mass: 32.065000  - symbol: S  # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.541874120000000 ]    mass: 32.065000  - symbol: S  # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.208361800000000 ]    mass: 32.065000  - symbol: S  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.708361800000000 ]    mass: 32.065000  - symbol: S  # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.374889120000000 ]    mass: 32.065000  - symbol: S  # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.874889120000000 ]    mass: 32.065000  - symbol: Zn # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.166723300000000 ]    mass: 65.380000  - symbol: Zn # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.666723300000000 ]    mass: 65.380000  - symbol: Zn # 9    coordinates: [  0.666666670000000,  0.333333330000000,  0.333171980000000 ]    mass: 65.380000  - symbol: Zn # 10    coordinates: [  0.333333330000000,  0.666666670000000,  0.833171980000000 ]    mass: 65.380000  - symbol: Zn # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.499979680000000 ]    mass: 65.380000  - symbol: Zn # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.999979680000000 ]    mass: 65.380000  reciprocal_lattice: # without 2pi  - [     0.264176341808174,     0.152522281685343,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.305044564982398,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.053852758178574 ] # c*unit_cell:  lattice:  - [     3.785350320000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -1.892675150000000,     3.278209530000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    18.569151030000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.333333330000000,  0.666666670000000,  0.041874120000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.541874120000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.208361800000000 ]    mass: 32.065000    reduced_to: 3  - symbol: S  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.708361800000000 ]    mass: 32.065000    reduced_to: 4  - symbol: S  # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.374889120000000 ]    mass: 32.065000    reduced_to: 5  - symbol: S  # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.874889120000000 ]    mass: 32.065000    reduced_to: 6  - symbol: Zn # 7    coordinates: [  0.333333330000000,  0.666666670000000,  0.166723300000000 ]    mass: 65.380000    reduced_to: 7  - symbol: Zn # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.666723300000000 ]    mass: 65.380000    reduced_to: 8  - symbol: Zn # 9    coordinates: [  0.666666670000000,  0.333333330000000,  0.333171980000000 ]    mass: 65.380000    reduced_to: 9  - symbol: Zn # 10    coordinates: [  0.333333330000000,  0.666666670000000,  0.833171980000000 ]    mass: 65.380000    reduced_to: 10  - symbol: Zn # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.499979680000000 ]    mass: 65.380000    reduced_to: 11  - symbol: Zn # 12    coordinates: [  0.000000000000000,  0.000000000000000,  0.999979680000000 ]    mass: 65.380000    reduced_to: 12supercell:  lattice:  - [    11.356050960000001,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.678025450000000,     9.834628589999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    18.569151030000000 ] # c  points:  - symbol: S  # 1    coordinates: [  0.111111110000000,  0.222222223333333,  0.041874120000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.444444443333333,  0.222222223333333,  0.041874120000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 3    coordinates: [  0.777777776666667,  0.222222223333333,  0.041874120000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 4    coordinates: [  0.111111110000000,  0.555555556666667,  0.041874120000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 5    coordinates: [  0.444444443333333,  0.555555556666667,  0.041874120000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 6    coordinates: [  0.777777776666667,  0.555555556666667,  0.041874120000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 7    coordinates: [  0.111111110000000,  0.888888890000000,  0.041874120000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 8    coordinates: [  0.444444443333333,  0.888888890000000,  0.041874120000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 9    coordinates: [  0.777777776666667,  0.888888890000000,  0.041874120000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 10    coordinates: [  0.222222223333333,  0.111111110000000,  0.541874120000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 11    coordinates: [  0.555555556666667,  0.111111110000000,  0.541874120000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 12    coordinates: [  0.888888890000000,  0.111111110000000,  0.541874120000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 13    coordinates: [  0.222222223333333,  0.444444443333333,  0.541874120000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 14    coordinates: [  0.555555556666667,  0.444444443333333,  0.541874120000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 15    coordinates: [  0.888888890000000,  0.444444443333333,  0.541874120000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 16    coordinates: [  0.222222223333333,  0.777777776666667,  0.541874120000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 17    coordinates: [  0.555555556666667,  0.777777776666667,  0.541874120000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 18    coordinates: [  0.888888890000000,  0.777777776666667,  0.541874120000000 ]    mass: 32.065000    reduced_to: 10  - symbol: S  # 19    coordinates: [  0.222222223333333,  0.111111110000000,  0.208361800000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 20    coordinates: [  0.555555556666667,  0.111111110000000,  0.208361800000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 21    coordinates: [  0.888888890000000,  0.111111110000000,  0.208361800000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 22    coordinates: [  0.222222223333333,  0.444444443333333,  0.208361800000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 23    coordinates: [  0.555555556666667,  0.444444443333333,  0.208361800000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 24    coordinates: [  0.888888890000000,  0.444444443333333,  0.208361800000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 25    coordinates: [  0.222222223333333,  0.777777776666667,  0.208361800000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 26    coordinates: [  0.555555556666667,  0.777777776666667,  0.208361800000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 27    coordinates: [  0.888888890000000,  0.777777776666667,  0.208361800000000 ]    mass: 32.065000    reduced_to: 19  - symbol: S  # 28    coordinates: [  0.111111110000000,  0.222222223333333,  0.708361800000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 29    coordinates: [  0.444444443333333,  0.222222223333333,  0.708361800000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 30    coordinates: [  0.777777776666667,  0.222222223333333,  0.708361800000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 31    coordinates: [  0.111111110000000,  0.555555556666667,  0.708361800000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 32    coordinates: [  0.444444443333333,  0.555555556666667,  0.708361800000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 33    coordinates: [  0.777777776666667,  0.555555556666667,  0.708361800000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 34    coordinates: [  0.111111110000000,  0.888888890000000,  0.708361800000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 35    coordinates: [  0.444444443333333,  0.888888890000000,  0.708361800000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 36    coordinates: [  0.777777776666667,  0.888888890000000,  0.708361800000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 37    coordinates: [  0.000000000000000,  0.000000000000000,  0.374889120000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 38    coordinates: [  0.333333333333333,  0.000000000000000,  0.374889120000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 39    coordinates: [  0.666666666666667,  0.000000000000000,  0.374889120000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 40    coordinates: [  0.000000000000000,  0.333333333333333,  0.374889120000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 41    coordinates: [  0.333333333333333,  0.333333333333333,  0.374889120000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 42    coordinates: [  0.666666666666667,  0.333333333333333,  0.374889120000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 43    coordinates: [  0.000000000000000,  0.666666666666667,  0.374889120000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 44    coordinates: [  0.333333333333333,  0.666666666666667,  0.374889120000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 45    coordinates: [  0.666666666666667,  0.666666666666667,  0.374889120000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 46    coordinates: [  0.000000000000000,  0.000000000000000,  0.874889120000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 47    coordinates: [  0.333333333333333,  0.000000000000000,  0.874889120000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 48    coordinates: [  0.666666666666667,  0.000000000000000,  0.874889120000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 49    coordinates: [  0.000000000000000,  0.333333333333333,  0.874889120000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 50    coordinates: [  0.333333333333333,  0.333333333333333,  0.874889120000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 51    coordinates: [  0.666666666666667,  0.333333333333333,  0.874889120000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 52    coordinates: [  0.000000000000000,  0.666666666666667,  0.874889120000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 53    coordinates: [  0.333333333333333,  0.666666666666667,  0.874889120000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 54    coordinates: [  0.666666666666667,  0.666666666666667,  0.874889120000000 ]    mass: 32.065000    reduced_to: 46  - symbol: Zn # 55    coordinates: [  0.111111110000000,  0.222222223333333,  0.166723300000000 ]    mass: 65.380000    reduced_to: 55  - symbol: Zn # 56    coordinates: [  0.444444443333333,  0.222222223333333,  0.166723300000000 ]    mass: 65.380000    reduced_to: 55  - symbol: Zn # 57    coordinates: [  0.777777776666667,  0.222222223333333,  0.166723300000000 ]    mass: 65.380000    reduced_to: 55  - symbol: Zn # 58    coordinates: [  0.111111110000000,  0.555555556666667,  0.166723300000000 ]    mass: 65.380000    reduced_to: 55  - symbol: Zn # 59    coordinates: [  0.444444443333333,  0.555555556666667,  0.166723300000000 ]    mass: 65.380000    reduced_to: 55  - symbol: Zn # 60    coordinates: [  0.777777776666667,  0.555555556666667,  0.166723300000000 ]    mass: 65.380000    reduced_to: 55  - symbol: Zn # 61    coordinates: [  0.111111110000000,  0.888888890000000,  0.166723300000000 ]    mass: 65.380000    reduced_to: 55  - symbol: Zn # 62    coordinates: [  0.444444443333333,  0.888888890000000,  0.166723300000000 ]    mass: 65.380000    reduced_to: 55  - symbol: Zn # 63    coordinates: [  0.777777776666667,  0.888888890000000,  0.166723300000000 ]    mass: 65.380000    reduced_to: 55  - symbol: Zn # 64    coordinates: [  0.222222223333333,  0.111111110000000,  0.666723300000000 ]    mass: 65.380000    reduced_to: 64  - symbol: Zn # 65    coordinates: [  0.555555556666667,  0.111111110000000,  0.666723300000000 ]    mass: 65.380000    reduced_to: 64  - symbol: Zn # 66    coordinates: [  0.888888890000000,  0.111111110000000,  0.666723300000000 ]    mass: 65.380000    reduced_to: 64  - symbol: Zn # 67    coordinates: [  0.222222223333333,  0.444444443333333,  0.666723300000000 ]    mass: 65.380000    reduced_to: 64  - symbol: Zn # 68    coordinates: [  0.555555556666667,  0.444444443333333,  0.666723300000000 ]    mass: 65.380000    reduced_to: 64  - symbol: Zn # 69    coordinates: [  0.888888890000000,  0.444444443333333,  0.666723300000000 ]    mass: 65.380000    reduced_to: 64  - symbol: Zn # 70    coordinates: [  0.222222223333333,  0.777777776666667,  0.666723300000000 ]    mass: 65.380000    reduced_to: 64  - symbol: Zn # 71    coordinates: [  0.555555556666667,  0.777777776666667,  0.666723300000000 ]    mass: 65.380000    reduced_to: 64  - symbol: Zn # 72    coordinates: [  0.888888890000000,  0.777777776666667,  0.666723300000000 ]    mass: 65.380000    reduced_to: 64  - symbol: Zn # 73    coordinates: [  0.222222223333333,  0.111111110000000,  0.333171980000000 ]    mass: 65.380000    reduced_to: 73  - symbol: Zn # 74    coordinates: [  0.555555556666667,  0.111111110000000,  0.333171980000000 ]    mass: 65.380000    reduced_to: 73  - symbol: Zn # 75    coordinates: [  0.888888890000000,  0.111111110000000,  0.333171980000000 ]    mass: 65.380000    reduced_to: 73  - symbol: Zn # 76    coordinates: [  0.222222223333333,  0.444444443333333,  0.333171980000000 ]    mass: 65.380000    reduced_to: 73  - symbol: Zn # 77    coordinates: [  0.555555556666667,  0.444444443333333,  0.333171980000000 ]    mass: 65.380000    reduced_to: 73  - symbol: Zn # 78    coordinates: [  0.888888890000000,  0.444444443333333,  0.333171980000000 ]    mass: 65.380000    reduced_to: 73  - symbol: Zn # 79    coordinates: [  0.222222223333333,  0.777777776666667,  0.333171980000000 ]    mass: 65.380000    reduced_to: 73  - symbol: Zn # 80    coordinates: [  0.555555556666667,  0.777777776666667,  0.333171980000000 ]    mass: 65.380000    reduced_to: 73  - symbol: Zn # 81    coordinates: [  0.888888890000000,  0.777777776666667,  0.333171980000000 ]    mass: 65.380000    reduced_to: 73  - symbol: Zn # 82    coordinates: [  0.111111110000000,  0.222222223333333,  0.833171980000000 ]    mass: 65.380000    reduced_to: 82  - symbol: Zn # 83    coordinates: [  0.444444443333333,  0.222222223333333,  0.833171980000000 ]    mass: 65.380000    reduced_to: 82  - symbol: Zn # 84    coordinates: [  0.777777776666667,  0.222222223333333,  0.833171980000000 ]    mass: 65.380000    reduced_to: 82  - symbol: Zn # 85    coordinates: [  0.111111110000000,  0.555555556666667,  0.833171980000000 ]    mass: 65.380000    reduced_to: 82  - symbol: Zn # 86    coordinates: [  0.444444443333333,  0.555555556666667,  0.833171980000000 ]    mass: 65.380000    reduced_to: 82  - symbol: Zn # 87    coordinates: [  0.777777776666667,  0.555555556666667,  0.833171980000000 ]    mass: 65.380000    reduced_to: 82  - symbol: Zn # 88    coordinates: [  0.111111110000000,  0.888888890000000,  0.833171980000000 ]    mass: 65.380000    reduced_to: 82  - symbol: Zn # 89    coordinates: [  0.444444443333333,  0.888888890000000,  0.833171980000000 ]    mass: 65.380000    reduced_to: 82  - symbol: Zn # 90    coordinates: [  0.777777776666667,  0.888888890000000,  0.833171980000000 ]    mass: 65.380000    reduced_to: 82  - symbol: Zn # 91    coordinates: [  0.000000000000000,  0.000000000000000,  0.499979680000000 ]    mass: 65.380000    reduced_to: 91  - symbol: Zn # 92    coordinates: [  0.333333333333333,  0.000000000000000,  0.499979680000000 ]    mass: 65.380000    reduced_to: 91  - symbol: Zn # 93    coordinates: [  0.666666666666667,  0.000000000000000,  0.499979680000000 ]    mass: 65.380000    reduced_to: 91  - symbol: Zn # 94    coordinates: [  0.000000000000000,  0.333333333333333,  0.499979680000000 ]    mass: 65.380000    reduced_to: 91  - symbol: Zn # 95    coordinates: [  0.333333333333333,  0.333333333333333,  0.499979680000000 ]    mass: 65.380000    reduced_to: 91  - symbol: Zn # 96    coordinates: [  0.666666666666667,  0.333333333333333,  0.499979680000000 ]    mass: 65.380000    reduced_to: 91  - symbol: Zn # 97    coordinates: [  0.000000000000000,  0.666666666666667,  0.499979680000000 ]    mass: 65.380000    reduced_to: 91  - symbol: Zn # 98    coordinates: [  0.333333333333333,  0.666666666666667,  0.499979680000000 ]    mass: 65.380000    reduced_to: 91  - symbol: Zn # 99    coordinates: [  0.666666666666667,  0.666666666666667,  0.499979680000000 ]    mass: 65.380000    reduced_to: 91  - symbol: Zn # 100    coordinates: [  0.000000000000000,  0.000000000000000,  0.999979680000000 ]    mass: 65.380000    reduced_to: 100  - symbol: Zn # 101    coordinates: [  0.333333333333333,  0.000000000000000,  0.999979680000000 ]    mass: 65.380000    reduced_to: 100  - symbol: Zn # 102    coordinates: [  0.666666666666667,  0.000000000000000,  0.999979680000000 ]    mass: 65.380000    reduced_to: 100  - symbol: Zn # 103    coordinates: [  0.000000000000000,  0.333333333333333,  0.999979680000000 ]    mass: 65.380000    reduced_to: 100  - symbol: Zn # 104    coordinates: [  0.333333333333333,  0.333333333333333,  0.999979680000000 ]    mass: 65.380000    reduced_to: 100  - symbol: Zn # 105    coordinates: [  0.666666666666667,  0.333333333333333,  0.999979680000000 ]    mass: 65.380000    reduced_to: 100  - symbol: Zn # 106    coordinates: [  0.000000000000000,  0.666666666666667,  0.999979680000000 ]    mass: 65.380000    reduced_to: 100  - symbol: Zn # 107    coordinates: [  0.333333333333333,  0.666666666666667,  0.999979680000000 ]    mass: 65.380000    reduced_to: 100  - symbol: Zn # 108    coordinates: [  0.666666666666667,  0.666666666666667,  0.999979680000000 ]    mass: 65.380000    reduced_to: 100born_effective_charge:- # 1 (S)  - [ -1.978680860000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.978680860000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.011087370000000 ]- # 2 (S)  - [ -1.978680860000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.978680860000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.011087370000000 ]- # 3 (S)  - [ -1.995654000000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.995654000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.978281760000000 ]- # 4 (S)  - [ -1.995654000000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.995654000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -1.978281760000000 ]- # 5 (S)  - [ -1.976181850000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -1.976181850000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.011278100000000 ]- # 6 (S)  - [ -1.976181850000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000, -1.976181850000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.011278100000000 ]- # 7 (Zn)  - [  2.005849580000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  2.005849580000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.994572190000000 ]- # 8 (Zn)  - [  2.005849580000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.005849580000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.994572190000000 ]- # 9 (Zn)  - [  1.964259420000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.964259420000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.017097250000000 ]- # 10 (Zn)  - [  1.964259420000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.964259420000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.017097250000000 ]- # 11 (Zn)  - [  1.980407720000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.980407720000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.988977790000000 ]- # 12 (Zn)  - 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