# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b349a5e1-2e64-4c34-8b3f-932edd1d86d3/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 CoP2 / P2_1/c (14) / materials id 14285](https://mdr.nims.go.jp/datasets/1fb552c3-0246-410b-8223-98b8758a07dc)

## 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: "P2_1/c"  number: 14  Hall_symbol: "-P 2ybc"supercell_matrix:- [   3,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     5.473746119999999,     0.000000000000000,    -0.010345810000000 ] # a  - [     0.000000000000000,     5.482010610000000,     0.000000000000000 ] # b  - [    -2.304286840000000,     0.000000000000000,     5.052581560000000 ] # c  points:  - symbol: P  # 1    coordinates: [  0.157147600000000,  0.871430310000000,  0.870531590000000 ]    mass: 30.973762  - symbol: P  # 2    coordinates: [  0.842852400000000,  0.371430310000000,  0.629468410000000 ]    mass: 30.973762  - symbol: P  # 3    coordinates: [  0.842852400000000,  0.128569690000000,  0.129468410000000 ]    mass: 30.973762  - symbol: P  # 4    coordinates: [  0.157147600000000,  0.628569690000000,  0.370531590000000 ]    mass: 30.973762  - symbol: P  # 5    coordinates: [  0.339607410000000,  0.370358210000000,  0.183423710000000 ]    mass: 30.973762  - symbol: P  # 6    coordinates: [  0.660392590000000,  0.870358210000000,  0.316576290000000 ]    mass: 30.973762  - symbol: P  # 7    coordinates: [  0.660392590000000,  0.629641790000000,  0.816576290000000 ]    mass: 30.973762  - symbol: P  # 8    coordinates: [  0.339607410000000,  0.129641790000000,  0.683423710000000 ]    mass: 30.973762  - symbol: Co # 9    coordinates: [  0.272157840000000,  0.498946650000000,  0.789849230000000 ]    mass: 58.933195  - symbol: Co # 10    coordinates: [  0.727842160000000,  0.998946650000000,  0.710150770000000 ]    mass: 58.933195  - symbol: Co # 11    coordinates: [  0.727842160000000,  0.501053350000000,  0.210150770000000 ]    mass: 58.933195  - symbol: Co # 12    coordinates: [  0.272157840000000,  0.001053350000000,  0.289849230000000 ]    mass: 58.933195  reciprocal_lattice: # without 2pi  - [     0.182847854717920,     0.000000000000000,     0.083389827624818 ] # a*  - [     0.000000000000000,     0.182414823892506,     0.000000000000000 ] # b*  - [     0.000374404478454,     0.000000000000000,     0.198089377366239 ] # c*unit_cell:  lattice:  - [     5.473746120000000,     0.000000000000000,    -0.010345810000000 ] # a  - [     0.000000000000000,     5.482010610000000,     0.000000000000000 ] # b  - [    -2.304286840000000,     0.000000000000000,     5.052581560000000 ] # c  points:  - symbol: P  # 1    coordinates: [  0.157147600000000,  0.871430310000000,  0.870531590000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 2    coordinates: [  0.842852400000000,  0.371430310000000,  0.629468410000000 ]    mass: 30.973762    reduced_to: 2  - symbol: P  # 3    coordinates: [  0.842852400000000,  0.128569690000000,  0.129468410000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 4    coordinates: [  0.157147600000000,  0.628569690000000,  0.370531590000000 ]    mass: 30.973762    reduced_to: 4  - symbol: P  # 5    coordinates: [  0.339607410000000,  0.370358210000000,  0.183423710000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 6    coordinates: [  0.660392590000000,  0.870358210000000,  0.316576290000000 ]    mass: 30.973762    reduced_to: 6  - symbol: P  # 7    coordinates: [  0.660392590000000,  0.629641790000000,  0.816576290000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 8    coordinates: [  0.339607410000000,  0.129641790000000,  0.683423710000000 ]    mass: 30.973762    reduced_to: 8  - symbol: Co # 9    coordinates: [  0.272157840000000,  0.498946650000000,  0.789849230000000 ]    mass: 58.933195    reduced_to: 9  - symbol: Co # 10    coordinates: [  0.727842160000000,  0.998946650000000,  0.710150770000000 ]    mass: 58.933195    reduced_to: 10  - symbol: Co # 11    coordinates: [  0.727842160000000,  0.501053350000000,  0.210150770000000 ]    mass: 58.933195    reduced_to: 11  - symbol: Co # 12    coordinates: [  0.272157840000000,  0.001053350000000,  0.289849230000000 ]    mass: 58.933195    reduced_to: 12supercell:  lattice:  - [    16.421238360000000,     0.000000000000000,    -0.031037430000000 ] # a  - [     0.000000000000000,    10.964021219999999,     0.000000000000000 ] # b  - [    -4.608573680000000,     0.000000000000000,    10.105163120000000 ] # c  points:  - symbol: P  # 1    coordinates: [  0.052382533333333,  0.435715155000000,  0.435265795000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 2    coordinates: [  0.385715866666667,  0.435715155000000,  0.435265795000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 3    coordinates: [  0.719049200000000,  0.435715155000000,  0.435265795000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 4    coordinates: [  0.052382533333333,  0.935715155000000,  0.435265795000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 5    coordinates: [  0.385715866666667,  0.935715155000000,  0.435265795000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 6    coordinates: [  0.719049200000000,  0.935715155000000,  0.435265795000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 7    coordinates: [  0.052382533333333,  0.435715155000000,  0.935265795000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 8    coordinates: [  0.385715866666667,  0.435715155000000,  0.935265795000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 9    coordinates: [  0.719049200000000,  0.435715155000000,  0.935265795000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 10    coordinates: [  0.052382533333333,  0.935715155000000,  0.935265795000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 11    coordinates: [  0.385715866666667,  0.935715155000000,  0.935265795000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 12    coordinates: [  0.719049200000000,  0.935715155000000,  0.935265795000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 13    coordinates: [  0.280950800000000,  0.185715155000000,  0.314734205000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 14    coordinates: [  0.614284133333333,  0.185715155000000,  0.314734205000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 15    coordinates: [  0.947617466666667,  0.185715155000000,  0.314734205000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 16    coordinates: [  0.280950800000000,  0.685715155000000,  0.314734205000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 17    coordinates: [  0.614284133333333,  0.685715155000000,  0.314734205000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 18    coordinates: [  0.947617466666667,  0.685715155000000,  0.314734205000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 19    coordinates: [  0.280950800000000,  0.185715155000000,  0.814734205000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 20    coordinates: [  0.614284133333333,  0.185715155000000,  0.814734205000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 21    coordinates: [  0.947617466666667,  0.185715155000000,  0.814734205000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 22    coordinates: [  0.280950800000000,  0.685715155000000,  0.814734205000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 23    coordinates: [  0.614284133333333,  0.685715155000000,  0.814734205000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 24    coordinates: [  0.947617466666667,  0.685715155000000,  0.814734205000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 25    coordinates: [  0.280950800000000,  0.064284845000000,  0.064734205000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 26    coordinates: [  0.614284133333333,  0.064284845000000,  0.064734205000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 27    coordinates: [  0.947617466666667,  0.064284845000000,  0.064734205000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 28    coordinates: [  0.280950800000000,  0.564284845000000,  0.064734205000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 29    coordinates: [  0.614284133333333,  0.564284845000000,  0.064734205000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 30    coordinates: [  0.947617466666667,  0.564284845000000,  0.064734205000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 31    coordinates: [  0.280950800000000,  0.064284845000000,  0.564734205000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 32    coordinates: [  0.614284133333333,  0.064284845000000,  0.564734205000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 33    coordinates: [  0.947617466666667,  0.064284845000000,  0.564734205000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 34    coordinates: [  0.280950800000000,  0.564284845000000,  0.564734205000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 35    coordinates: [  0.614284133333333,  0.564284845000000,  0.564734205000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 36    coordinates: [  0.947617466666667,  0.564284845000000,  0.564734205000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 37    coordinates: [  0.052382533333333,  0.314284845000000,  0.185265795000000 ]    mass: 30.973762    reduced_to: 37  - symbol: P  # 38    coordinates: [  0.385715866666667,  0.314284845000000,  0.185265795000000 ]    mass: 30.973762    reduced_to: 37  - symbol: P  # 39    coordinates: [  0.719049200000000,  0.314284845000000,  0.185265795000000 ]    mass: 30.973762    reduced_to: 37  - symbol: P  # 40    coordinates: [  0.052382533333333,  0.814284845000000,  0.185265795000000 ]    mass: 30.973762    reduced_to: 37  - symbol: P  # 41    coordinates: [  0.385715866666667,  0.814284845000000,  0.185265795000000 ]    mass: 30.973762    reduced_to: 37  - symbol: P  # 42    coordinates: [  0.719049200000000,  0.814284845000000,  0.185265795000000 ]    mass: 30.973762    reduced_to: 37  - symbol: P  # 43    coordinates: [  0.052382533333333,  0.314284845000000,  0.685265795000000 ]    mass: 30.973762    reduced_to: 37  - symbol: P  # 44    coordinates: [  0.385715866666667,  0.314284845000000,  0.685265795000000 ]    mass: 30.973762    reduced_to: 37  - symbol: P  # 45    coordinates: [  0.719049200000000,  0.314284845000000,  0.685265795000000 ]    mass: 30.973762    reduced_to: 37  - symbol: P  # 46    coordinates: [  0.052382533333333,  0.814284845000000,  0.685265795000000 ]    mass: 30.973762    reduced_to: 37  - symbol: P  # 47    coordinates: [  0.385715866666667,  0.814284845000000,  0.685265795000000 ]    mass: 30.973762    reduced_to: 37  - symbol: P  # 48    coordinates: [  0.719049200000000,  0.814284845000000,  0.685265795000000 ]    mass: 30.973762    reduced_to: 37  - symbol: P  # 49    coordinates: [  0.113202470000000,  0.185179105000000,  0.091711855000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 50    coordinates: [  0.446535803333333,  0.185179105000000,  0.091711855000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 51    coordinates: [  0.779869136666667,  0.185179105000000,  0.091711855000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 52    coordinates: [  0.113202470000000,  0.685179105000000,  0.091711855000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 53    coordinates: [  0.446535803333333,  0.685179105000000,  0.091711855000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 54    coordinates: [  0.779869136666667,  0.685179105000000,  0.091711855000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 55    coordinates: [  0.113202470000000,  0.185179105000000,  0.591711855000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 56    coordinates: [  0.446535803333333,  0.185179105000000,  0.591711855000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 57    coordinates: [  0.779869136666667,  0.185179105000000,  0.591711855000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 58    coordinates: [  0.113202470000000,  0.685179105000000,  0.591711855000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 59    coordinates: [  0.446535803333333,  0.685179105000000,  0.591711855000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 60    coordinates: [  0.779869136666667,  0.685179105000000,  0.591711855000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 61    coordinates: [  0.220130863333333,  0.435179105000000,  0.158288145000000 ]    mass: 30.973762    reduced_to: 61  - symbol: P  # 62    coordinates: [  0.553464196666667,  0.435179105000000,  0.158288145000000 ]    mass: 30.973762    reduced_to: 61  - symbol: P  # 63    coordinates: [  0.886797530000000,  0.435179105000000,  0.158288145000000 ]    mass: 30.973762    reduced_to: 61  - symbol: P  # 64    coordinates: [  0.220130863333333,  0.935179105000000,  0.158288145000000 ]    mass: 30.973762    reduced_to: 61  - symbol: P  # 65    coordinates: [  0.553464196666667,  0.935179105000000,  0.158288145000000 ]    mass: 30.973762    reduced_to: 61  - symbol: P  # 66    coordinates: [  0.886797530000000,  0.935179105000000,  0.158288145000000 ]    mass: 30.973762    reduced_to: 61  - symbol: P  # 67    coordinates: [  0.220130863333333,  0.435179105000000,  0.658288145000000 ]    mass: 30.973762    reduced_to: 61  - symbol: P  # 68    coordinates: [  0.553464196666667,  0.435179105000000,  0.658288145000000 ]    mass: 30.973762    reduced_to: 61  - symbol: P  # 69    coordinates: [  0.886797530000000,  0.435179105000000,  0.658288145000000 ]    mass: 30.973762    reduced_to: 61  - symbol: P  # 70    coordinates: [  0.220130863333333,  0.935179105000000,  0.658288145000000 ]    mass: 30.973762    reduced_to: 61  - symbol: P  # 71    coordinates: [  0.553464196666667,  0.935179105000000,  0.658288145000000 ]    mass: 30.973762    reduced_to: 61  - symbol: P  # 72    coordinates: [  0.886797530000000,  0.935179105000000,  0.658288145000000 ]    mass: 30.973762    reduced_to: 61  - symbol: P  # 73    coordinates: [  0.220130863333333,  0.314820895000000,  0.408288145000000 ]    mass: 30.973762    reduced_to: 73  - symbol: P  # 74    coordinates: [  0.553464196666667,  0.314820895000000,  0.408288145000000 ]    mass: 30.973762    reduced_to: 73  - symbol: P  # 75    coordinates: [  0.886797530000000,  0.314820895000000,  0.408288145000000 ]    mass: 30.973762    reduced_to: 73  - symbol: P  # 76    coordinates: [  0.220130863333333,  0.814820895000000,  0.408288145000000 ]    mass: 30.973762    reduced_to: 73  - symbol: P  # 77    coordinates: [  0.553464196666667,  0.814820895000000,  0.408288145000000 ]    mass: 30.973762    reduced_to: 73  - symbol: P  # 78    coordinates: [  0.886797530000000,  0.814820895000000,  0.408288145000000 ]    mass: 30.973762    reduced_to: 73  - symbol: P  # 79    coordinates: [  0.220130863333333,  0.314820895000000,  0.908288145000000 ]    mass: 30.973762    reduced_to: 73  - symbol: P  # 80    coordinates: [  0.553464196666667,  0.314820895000000,  0.908288145000000 ]    mass: 30.973762    reduced_to: 73  - symbol: P  # 81    coordinates: [  0.886797530000000,  0.314820895000000,  0.908288145000000 ]    mass: 30.973762    reduced_to: 73  - symbol: P  # 82    coordinates: [  0.220130863333333,  0.814820895000000,  0.908288145000000 ]    mass: 30.973762    reduced_to: 73  - symbol: P  # 83    coordinates: [  0.553464196666667,  0.814820895000000,  0.908288145000000 ]    mass: 30.973762    reduced_to: 73  - symbol: P  # 84    coordinates: [  0.886797530000000,  0.814820895000000,  0.908288145000000 ]    mass: 30.973762    reduced_to: 73  - symbol: P  # 85    coordinates: [  0.113202470000000,  0.064820895000000,  0.341711855000000 ]    mass: 30.973762    reduced_to: 85  - symbol: P  # 86    coordinates: [  0.446535803333333,  0.064820895000000,  0.341711855000000 ]    mass: 30.973762    reduced_to: 85  - 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symbol: P  # 95    coordinates: [  0.446535803333333,  0.564820895000000,  0.841711855000000 ]    mass: 30.973762    reduced_to: 85  - symbol: P  # 96    coordinates: [  0.779869136666667,  0.564820895000000,  0.841711855000000 ]    mass: 30.973762    reduced_to: 85  - symbol: Co # 97    coordinates: [  0.090719280000000,  0.249473325000000,  0.394924615000000 ]    mass: 58.933195    reduced_to: 97  - symbol: Co # 98    coordinates: [  0.424052613333333,  0.249473325000000,  0.394924615000000 ]    mass: 58.933195    reduced_to: 97  - symbol: Co # 99    coordinates: [  0.757385946666667,  0.249473325000000,  0.394924615000000 ]    mass: 58.933195    reduced_to: 97  - symbol: Co # 100    coordinates: [  0.090719280000000,  0.749473325000000,  0.394924615000000 ]    mass: 58.933195    reduced_to: 97  - symbol: Co # 101    coordinates: [  0.424052613333333,  0.749473325000000,  0.394924615000000 ]    mass: 58.933195    reduced_to: 97  - symbol: Co # 102    coordinates: [  0.757385946666667,  0.749473325000000,  0.394924615000000 ]    mass: 58.933195    reduced_to: 97  - symbol: Co # 103    coordinates: [  0.090719280000000,  0.249473325000000,  0.894924615000000 ]    mass: 58.933195    reduced_to: 97  - symbol: Co # 104    coordinates: [  0.424052613333333,  0.249473325000000,  0.894924615000000 ]    mass: 58.933195    reduced_to: 97  - symbol: Co # 105    coordinates: [  0.757385946666667,  0.249473325000000,  0.894924615000000 ]    mass: 58.933195    reduced_to: 97  - symbol: Co # 106    coordinates: [  0.090719280000000,  0.749473325000000,  0.894924615000000 ]    mass: 58.933195    reduced_to: 97  - symbol: Co # 107    coordinates: [  0.424052613333333,  0.749473325000000,  0.894924615000000 ]    mass: 58.933195    reduced_to: 97  - symbol: Co # 108    coordinates: [  0.757385946666667,  0.749473325000000,  0.894924615000000 ]    mass: 58.933195    reduced_to: 97  - symbol: Co # 109    coordinates: [  0.242614053333333,  0.499473325000000,  0.355075385000000 ]    mass: 58.933195    reduced_to: 109  - symbol: Co # 110    coordinates: [  0.575947386666667,  0.499473325000000,  0.355075385000000 ]    mass: 58.933195    reduced_to: 109  - symbol: Co # 111    coordinates: [  0.909280720000000,  0.499473325000000,  0.355075385000000 ]    mass: 58.933195    reduced_to: 109  - symbol: Co # 112    coordinates: [  0.242614053333333,  0.999473325000000,  0.355075385000000 ]    mass: 58.933195    reduced_to: 109  - symbol: Co # 113    coordinates: [  0.575947386666667,  0.999473325000000,  0.355075385000000 ]    mass: 58.933195    reduced_to: 109  - symbol: Co # 114    coordinates: [  0.909280720000000,  0.999473325000000,  0.355075385000000 ]    mass: 58.933195    reduced_to: 109  - symbol: Co # 115    coordinates: [  0.242614053333333,  0.499473325000000,  0.855075385000000 ]    mass: 58.933195    reduced_to: 109  - symbol: Co # 116    coordinates: [  0.575947386666667,  0.499473325000000,  0.855075385000000 ]    mass: 58.933195    reduced_to: 109  - symbol: Co # 117    coordinates: [  0.909280720000000,  0.499473325000000,  0.855075385000000 ]    mass: 58.933195    reduced_to: 109  - symbol: Co # 118    coordinates: [  0.242614053333333,  0.999473325000000,  0.855075385000000 ]    mass: 58.933195    reduced_to: 109  - symbol: Co # 119    coordinates: [  0.575947386666667,  0.999473325000000,  0.855075385000000 ]    mass: 58.933195    reduced_to: 109  - symbol: Co # 120    coordinates: [  0.909280720000000,  0.999473325000000,  0.855075385000000 ]    mass: 58.933195    reduced_to: 109  - symbol: Co # 121    coordinates: [  0.242614053333333,  0.250526675000000,  0.105075385000000 ]    mass: 58.933195    reduced_to: 121  - symbol: Co # 122    coordinates: [  0.575947386666667,  0.250526675000000,  0.105075385000000 ]    mass: 58.933195    reduced_to: 121  - symbol: Co # 123    coordinates: [  0.909280720000000,  0.250526675000000,  0.105075385000000 ]    mass: 58.933195    reduced_to: 121  - symbol: Co # 124    coordinates: [  0.242614053333333,  0.750526675000000,  0.105075385000000 ]    mass: 58.933195    reduced_to: 121  - symbol: Co # 125    coordinates: [  0.575947386666667,  0.750526675000000,  0.105075385000000 ]    mass: 58.933195    reduced_to: 121  - symbol: Co # 126    coordinates: [  0.909280720000000,  0.750526675000000,  0.105075385000000 ]    mass: 58.933195    reduced_to: 121  - symbol: Co # 127    coordinates: [  0.242614053333333,  0.250526675000000,  0.605075385000000 ]    mass: 58.933195    reduced_to: 121  - symbol: Co # 128    coordinates: [  0.575947386666667,  0.250526675000000,  0.605075385000000 ]    mass: 58.933195    reduced_to: 121  - symbol: Co # 129    coordinates: [  0.909280720000000,  0.250526675000000,  0.605075385000000 ]    mass: 58.933195    reduced_to: 121  - symbol: Co # 130    coordinates: [  0.242614053333333,  0.750526675000000,  0.605075385000000 ]    mass: 58.933195    reduced_to: 121  - symbol: Co # 131    coordinates: [  0.575947386666667,  0.750526675000000,  0.605075385000000 ]    mass: 58.933195    reduced_to: 121  - symbol: Co # 132    coordinates: [  0.909280720000000,  0.750526675000000,  0.605075385000000 ]    mass: 58.933195    reduced_to: 121  - symbol: Co # 133    coordinates: [  0.090719280000000,  0.000526675000000,  0.144924615000000 ]    mass: 58.933195    reduced_to: 133  - symbol: Co # 134    coordinates: [  0.424052613333333,  0.000526675000000,  0.144924615000000 ]    mass: 58.933195    reduced_to: 133  - symbol: Co # 135    coordinates: [  0.757385946666667,  0.000526675000000,  0.144924615000000 ]    mass: 58.933195    reduced_to: 133  - symbol: Co # 136    coordinates: [  0.090719280000000,  0.500526675000000,  0.144924615000000 ]    mass: 58.933195    reduced_to: 133  - symbol: Co # 137    coordinates: [  0.424052613333333,  0.500526675000000,  0.144924615000000 ]    mass: 58.933195    reduced_to: 133  - symbol: Co # 138    coordinates: [  0.757385946666667,  0.500526675000000,  0.144924615000000 ]    mass: 58.933195    reduced_to: 133  - symbol: Co # 139    coordinates: [  0.090719280000000,  0.000526675000000,  0.644924615000000 ]    mass: 58.933195    reduced_to: 133  - symbol: Co # 140    coordinates: [  0.424052613333333,  0.000526675000000,  0.644924615000000 ]    mass: 58.933195    reduced_to: 133  - symbol: Co # 141    coordinates: [  0.757385946666667,  0.000526675000000,  0.644924615000000 ]    mass: 58.933195    reduced_to: 133  - symbol: Co # 142    coordinates: [  0.090719280000000,  0.500526675000000,  0.644924615000000 ]    mass: 58.933195    reduced_to: 133  - symbol: Co # 143    coordinates: [  0.424052613333333,  0.500526675000000,  0.644924615000000 ]    mass: 58.933195    reduced_to: 133  - symbol: Co # 144    coordinates: [  0.757385946666667,  0.500526675000000,  0.644924615000000 ]    mass: 58.933195    reduced_to: 133born_effective_charge:- # 1 (P)  - [  2.169110900000000, -0.035602940000000,  0.597389380000000 ]  - [  0.062271700000000,  2.593522790000000, -0.307852000000000 ]  - [ -0.127575300000000,  0.056887120000000,  2.904564050000000 ]- # 2 (P)  - [  2.169110900000000,  0.035602940000000,  0.597389380000000 ]  - [ -0.062271700000000,  2.593522790000000,  0.307852000000000 ]  - [ -0.127575300000000, -0.056887120000000,  2.904564050000000 ]- # 3 (P)  - [  2.169110900000000, -0.035602940000000,  0.597389380000000 ]  - [  0.062271700000000,  2.593522790000000, -0.307852000000000 ]  - [ -0.127575300000000,  0.056887120000000,  2.904564050000000 ]- # 4 (P)  - [  2.169110900000000,  0.035602940000000,  0.597389380000000 ]  - [ -0.062271700000000,  2.593522790000000,  0.307852000000000 ]  - [ -0.127575300000000, -0.056887120000000,  2.904564050000000 ]- # 5 (P)  - [  3.266100910000000, -0.077810930000000, -0.061580420000000 ]  - [  0.049040370000000,  2.658958150000000, -0.170319980000000 ]  - [  0.254596680000000, -0.179028580000000,  3.048670230000000 ]- # 6 (P)  - [  3.266100910000000,  0.077810930000000, -0.061580420000000 ]  - [ -0.049040370000000,  2.658958150000000,  0.170319980000000 ]  - [  0.254596680000000,  0.179028580000000,  3.048670230000000 ]- # 7 (P)  - [  3.266100910000000, -0.077810930000000, -0.061580420000000 ]  - [  0.049040370000000,  2.658958150000000, -0.170319980000000 ]  - [  0.254596680000000, -0.179028580000000,  3.048670230000000 ]- # 8 (P)  - [  3.266100910000000,  0.077810930000000, -0.061580420000000 ]  - [ -0.049040370000000,  2.658958150000000,  0.170319980000000 ]  - [  0.254596680000000,  0.179028580000000,  3.048670230000000 ]- # 9 (Co)  - [ -5.435211810000000, -0.069429190000000, -0.535808960000000 ]  - [ -0.418053350000000, -5.252480940000000,  0.302444130000000 ]  - [ -0.127021380000000,  0.121604900000000, -5.953234280000000 ]- # 10 (Co)  - [ -5.435211810000000,  0.069429190000000, -0.535808960000000 ]  - [  0.418053350000000, -5.252480940000000, -0.302444130000000 ]  - [ -0.127021380000000, -0.121604900000000, -5.953234280000000 ]- # 11 (Co)  - [ -5.435211810000000, -0.069429190000000, -0.535808960000000 ]  - [ -0.418053350000000, -5.252480940000000,  0.302444130000000 ]  - [ -0.127021380000000,  0.121604900000000, -5.953234280000000 ]- # 12 (Co)  - [ -5.435211810000000,  0.069429190000000, -0.535808960000000 ]  - [  0.418053350000000, -5.252480940000000, -0.302444130000000 ]  - [ -0.127021380000000, -0.121604900000000, -5.953234280000000 ]dielectric_constant:  - [ 23.887388980000001,  0.000000000000000,  1.087800580000000 ]  - [  0.000000000000000, 23.309028410000000,  0.000000000000000 ]  - [  1.087801100000000,  0.000000000000000, 23.904884830000000 ]displacements:- atom:    1  displacement:    [   0.0099999821380637,  0.0000000000000000, -0.0000189007515028 ]  forces:  - [  -0.1213438400000000,  0.0018910800000000,  0.0039855200000000 ]  - [   0.0134052700000000,  0.0080089300000000, -0.0069823700000000 ]  - [   0.0133953100000000,  0.0076307500000000, -0.0067832100000000 ]  - [   0.0132583500000000,  0.0081449200000000, -0.0074115900000000 ]  - [   0.0129913300000000,  0.0078215700000000, -0.0067858800000000 ]  - [   0.0129854000000000,  0.0076862200000000, -0.0068476400000000 ]  - [   0.0118625500000000,  0.0080437200000000, -0.0075863000000000 ]  - [   0.0130651500000000,  0.0077289200000000, -0.0067718800000000 ]  - [   0.0130585500000000,  0.0077461900000000, -0.0064933300000000 ]  - [   0.0127370800000000,  0.0078292500000000, -0.0069779000000000 ]  - [   0.0129914200000000,  0.0077183200000000, -0.0067387600000000 ]  - [   0.0129915200000000,  0.0077833200000000, -0.0068383600000000 ]  - [  -0.0123972900000000,  0.0073557300000000,  0.0064159500000000 ]  - [  -0.0128407700000000,  0.0080156700000000,  0.0071198700000000 ]  - [  -0.0143189700000000,  0.0101109900000000,  0.0086416500000000 ]  - [  -0.0124046800000000,  0.0077090500000000,  0.0069384100000000 ]  - [  -0.0128427900000000,  0.0077419100000000,  0.0070602500000000 ]  - [  -0.0143136800000000,  0.0037009100000000,  0.0074678600000000 ]  - [  -0.0126834200000000,  0.0077027600000000,  0.0073155200000000 ]  - [  -0.0128636900000000,  0.0078445200000000,  0.0069703400000000 ]  - [  -0.0131726800000000,  0.0079950600000000,  0.0063359500000000 ]  - [  -0.0126795200000000,  0.0079983400000000,  0.0069426600000000 ]  - [  -0.0128641300000000,  0.0077443600000000,  0.0069941600000000 ]  - [  -0.0131754500000000,  0.0075596000000000,  0.0063597000000000 ]  - [  -0.0126801200000000, -0.0078094300000000,  0.0068186400000000 ]  - [  -0.0128522200000000, -0.0077241200000000,  0.0069500100000000 ]  - [  -0.0131466400000000, -0.0077804400000000,  0.0066921100000000 ]  - [  -0.0122480800000000, -0.0081427700000000,  0.0068500500000000 ]  - [  -0.0127390900000000, -0.0079612200000000,  0.0072260100000000 ]  - [  -0.0131331000000000, -0.0077681500000000,  0.0053014700000000 ]  - [  -0.0127735800000000, -0.0079750000000000,  0.0070418000000000 ]  - [  -0.0127867000000000, -0.0077774600000000,  0.0069013200000000 ]  - [  -0.0134340900000000, -0.0070156200000000,  0.0066474100000000 ]  - [  -0.0104742500000000, -0.0065550600000000,  0.0069357600000000 ]  - [  -0.0126809000000000, -0.0077934800000000,  0.0069196000000000 ]  - [  -0.0090620600000000, -0.0131242700000000,  0.0026921200000000 ]  - [   0.0119173000000000, -0.0096954800000000, -0.0113794300000000 ]  - [   0.0131357900000000, -0.0078213700000000, -0.0067594900000000 ]  - [   0.0132995700000000, -0.0073581400000000, -0.0065796500000000 ]  - [   0.0123637300000000, -0.0072918600000000, -0.0071409800000000 ]  - [   0.0130767100000000, -0.0077822600000000, -0.0068434800000000 ]  - [   0.0128887100000000, -0.0077150100000000, -0.0068823800000000 ]  - [   0.0119391500000000, -0.0053466400000000, -0.0090741000000000 ]  - [   0.0133097500000000, -0.0079554000000000, -0.0062760300000000 ]  - [   0.0131360800000000, -0.0078108900000000, -0.0070287700000000 ]  - [   0.0123668000000000, -0.0081586000000000, -0.0072473100000000 ]  - [   0.0128899400000000, -0.0079861500000000, -0.0068126300000000 ]  - [   0.0130717300000000, -0.0078038700000000, -0.0069407600000000 ]  - [  -0.0056470200000000,  0.0133454300000000,  0.0063070500000000 ]  - [  -0.0060457800000000,  0.0138356500000000,  0.0067088800000000 ]  - [  -0.0061548600000000,  0.0140813200000000,  0.0068147400000000 ]  - [  -0.0059131400000000,  0.0140199200000000,  0.0056679500000000 ]  - [  -0.0060561600000000,  0.0137572400000000,  0.0066267200000000 ]  - [  -0.0061592000000000,  0.0132354500000000,  0.0070475200000000 ]  - [  -0.0084014300000000,  0.0135333800000000,  0.0074560100000000 ]  - [  -0.0059304000000000,  0.0136942700000000,  0.0066169600000000 ]  - [  -0.0056131500000000,  0.0141332100000000,  0.0064220700000000 ]  - [  -0.0079156900000000,  0.0154894000000000,  0.0086315700000000 ]  - [  -0.0058735400000000,  0.0138755700000000,  0.0066502400000000 ]  - [  -0.0059109600000000,  0.0136005100000000,  0.0065701800000000 ]  - [   0.0072692200000000,  0.0135012300000000, -0.0065110600000000 ]  - [   0.0065298500000000,  0.0138463100000000, -0.0066333700000000 ]  - [   0.0068424500000000,  0.0134761600000000, -0.0005795400000000 ]  - [   0.0063718500000000,  0.0136646500000000, -0.0067848700000000 ]  - [   0.0063863300000000,  0.0136969800000000, -0.0065318400000000 ]  - [   0.0060055300000000,  0.0135971200000000, -0.0064675200000000 ]  - [   0.0090614100000000,  0.0124157000000000, -0.0041008300000000 ]  - [   0.0064592700000000,  0.0137252100000000, -0.0064686300000000 ]  - [   0.0072633300000000,  0.0144455700000000, -0.0068718900000000 ]  - [   0.0062575200000000,  0.0135744900000000, -0.0065708500000000 ]  - [   0.0064543800000000,  0.0137481700000000, -0.0065171100000000 ]  - [   0.0062839800000000,  0.0135778700000000, -0.0069238400000000 ]  - [   0.0135681600000000, -0.0162943100000000, -0.0065113700000000 ]  - [   0.0065410600000000, -0.0138469700000000, -0.0067169600000000 ]  - [   0.0145445400000000, -0.0048417200000000, -0.0055132500000000 ]  - [   0.0065870600000000, -0.0131301500000000, -0.0062715200000000 ]  - [   0.0064672700000000, -0.0137479100000000, -0.0066127600000000 ]  - [   0.0064368900000000, -0.0137723700000000, -0.0062167900000000 ]  - [   0.0061502400000000, -0.0137177600000000, -0.0065566100000000 ]  - [   0.0064219700000000, -0.0137340500000000, -0.0063658600000000 ]  - [   0.0062904900000000, -0.0135905900000000, -0.0067180500000000 ]  - [   0.0063203900000000, -0.0136465800000000, -0.0066804700000000 ]  - [   0.0063713400000000, -0.0138383600000000, -0.0064283600000000 ]  - [   0.0063047000000000, -0.0138149400000000, -0.0067120800000000 ]  - [  -0.0066310300000000, -0.0185647200000000,  0.0056302600000000 ]  - [  -0.0058990200000000, -0.0136653500000000,  0.0066179400000000 ]  - [  -0.0062251600000000, -0.0135584300000000,  0.0068141800000000 ]  - [   0.0296153400000000,  0.0168048400000000, -0.0137127800000000 ]  - [  -0.0059932800000000, -0.0138575100000000,  0.0066940600000000 ]  - [   0.0016571100000000, -0.0170676500000000,  0.0076041400000000 ]  - [  -0.0063713300000000, -0.0138131600000000,  0.0065127600000000 ]  - [  -0.0060781200000000, -0.0137052500000000,  0.0067456200000000 ]  - [  -0.0062070600000000, -0.0137530700000000,  0.0064905100000000 ]  - [  -0.0059504000000000, -0.0146337400000000,  0.0035656200000000 ]  - [  -0.0061280500000000, -0.0136433200000000,  0.0069236300000000 ]  - [  -0.0059698700000000, -0.0139034000000000,  0.0066353800000000 ]  - [   0.0139024200000000, -0.0015573500000000, -0.0181208700000000 ]  - [  -0.0083835800000000,  0.0059506900000000, -0.0158395700000000 ]  - [  -0.0082067700000000,  0.0046727300000000, -0.0163817900000000 ]  - [  -0.0089298600000000,  0.0046317600000000, -0.0148002700000000 ]  - [  -0.0083047100000000,  0.0059649700000000, -0.0159186000000000 ]  - [  -0.0079703400000000,  0.0063700900000000, -0.0162088400000000 ]  - [  -0.0078106600000000,  0.0056861900000000, -0.0152891300000000 ]  - [  -0.0081428800000000,  0.0057743500000000, -0.0163932400000000 ]  - [  -0.0076933000000000,  0.0058019000000000, -0.0159911000000000 ]  - 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