# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/288097f9-35f9-4f0b-85fb-ba51fb2bf23e/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 K2GeF6 / P6_3mc (186) / materials id 14168](https://mdr.nims.go.jp/datasets/4bd5be11-1845-4787-949e-b1de5068278f)

## 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:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     5.755754900000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.877877460000000,     4.984629970000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.375496970000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.518695270000000,  0.481304730000000,  0.643273940000000 ]    mass: 18.998403  - symbol: F  # 2    coordinates: [  0.037390530000000,  0.518695270000000,  0.143273940000000 ]    mass: 18.998403  - symbol: F  # 3    coordinates: [  0.481304730000000,  0.962609470000000,  0.143273940000000 ]    mass: 18.998403  - symbol: F  # 4    coordinates: [  0.518695270000000,  0.037390530000000,  0.643273940000000 ]    mass: 18.998403  - symbol: F  # 5    coordinates: [  0.962609470000000,  0.481304730000000,  0.643273940000000 ]    mass: 18.998403  - symbol: F  # 6    coordinates: [  0.481304730000000,  0.518695270000000,  0.143273940000000 ]    mass: 18.998403  - symbol: F  # 7    coordinates: [  0.181451510000000,  0.818548490000000,  0.364133310000000 ]    mass: 18.998403  - symbol: F  # 8    coordinates: [  0.362903000000000,  0.181451510000000,  0.864133310000000 ]    mass: 18.998403  - symbol: F  # 9    coordinates: [  0.818548490000000,  0.637097000000000,  0.864133310000000 ]    mass: 18.998403  - symbol: F  # 10    coordinates: [  0.181451510000000,  0.362903000000000,  0.364133310000000 ]    mass: 18.998403  - symbol: F  # 11    coordinates: [  0.637097000000000,  0.818548490000000,  0.364133310000000 ]    mass: 18.998403  - symbol: F  # 12    coordinates: [  0.818548490000000,  0.181451510000000,  0.864133310000000 ]    mass: 18.998403  - symbol: K  # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.097605480000000 ]    mass: 39.098300  - symbol: K  # 14    coordinates: [  0.000000000000000,  0.000000000000000,  0.597605480000000 ]    mass: 39.098300  - symbol: K  # 15    coordinates: [  0.666666670000000,  0.333333330000000,  0.373009560000000 ]    mass: 39.098300  - symbol: K  # 16    coordinates: [  0.333333330000000,  0.666666670000000,  0.873009560000000 ]    mass: 39.098300  - symbol: Ge # 17    coordinates: [  0.666666670000000,  0.333333330000000,  0.757163190000000 ]    mass: 72.640000  - symbol: Ge # 18    coordinates: [  0.333333330000000,  0.666666670000000,  0.257163190000000 ]    mass: 72.640000  reciprocal_lattice: # without 2pi  - [     0.173739156266018,     0.100308348813581,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.200616696930063,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.106661012552170 ] # c*unit_cell:  lattice:  - [     5.755754900000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.877877460000000,     4.984629970000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.375496970000000 ] # c  points:  - symbol: F  # 1    coordinates: [  0.518695270000000,  0.481304730000000,  0.643273940000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.037390530000000,  0.518695270000000,  0.143273940000000 ]    mass: 18.998403    reduced_to: 2  - symbol: F  # 3    coordinates: [  0.481304730000000,  0.962609470000000,  0.143273940000000 ]    mass: 18.998403    reduced_to: 3  - symbol: F  # 4    coordinates: [  0.518695270000000,  0.037390530000000,  0.643273940000000 ]    mass: 18.998403    reduced_to: 4  - symbol: F  # 5    coordinates: [  0.962609470000000,  0.481304730000000,  0.643273940000000 ]    mass: 18.998403    reduced_to: 5  - symbol: F  # 6    coordinates: [  0.481304730000000,  0.518695270000000,  0.143273940000000 ]    mass: 18.998403    reduced_to: 6  - symbol: F  # 7    coordinates: [  0.181451510000000,  0.818548490000000,  0.364133310000000 ]    mass: 18.998403    reduced_to: 7  - symbol: F  # 8    coordinates: [  0.362903000000000,  0.181451510000000,  0.864133310000000 ]    mass: 18.998403    reduced_to: 8  - symbol: F  # 9    coordinates: [  0.818548490000000,  0.637097000000000,  0.864133310000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 10    coordinates: [  0.181451510000000,  0.362903000000000,  0.364133310000000 ]    mass: 18.998403    reduced_to: 10  - symbol: F  # 11    coordinates: [  0.637097000000000,  0.818548490000000,  0.364133310000000 ]    mass: 18.998403    reduced_to: 11  - symbol: F  # 12    coordinates: [  0.818548490000000,  0.181451510000000,  0.864133310000000 ]    mass: 18.998403    reduced_to: 12  - symbol: K  # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.097605480000000 ]    mass: 39.098300    reduced_to: 13  - symbol: K  # 14    coordinates: [  0.000000000000000,  0.000000000000000,  0.597605480000000 ]    mass: 39.098300    reduced_to: 14  - symbol: K  # 15    coordinates: [  0.666666670000000,  0.333333330000000,  0.373009560000000 ]    mass: 39.098300    reduced_to: 15  - symbol: K  # 16    coordinates: [  0.333333330000000,  0.666666670000000,  0.873009560000000 ]    mass: 39.098300    reduced_to: 16  - symbol: Ge # 17    coordinates: [  0.666666670000000,  0.333333330000000,  0.757163190000000 ]    mass: 72.640000    reduced_to: 17  - symbol: Ge # 18    coordinates: [  0.333333330000000,  0.666666670000000,  0.257163190000000 ]    mass: 72.640000    reduced_to: 18supercell:  lattice:  - [    11.511509800000001,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.755754920000000,     9.969259940000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    18.750993940000001 ] # c  points:  - symbol: F  # 1    coordinates: [  0.259347635000000,  0.240652365000000,  0.321636970000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 2    coordinates: [  0.759347635000000,  0.240652365000000,  0.321636970000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 3    coordinates: [  0.259347635000000,  0.740652365000000,  0.321636970000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 4    coordinates: [  0.759347635000000,  0.740652365000000,  0.321636970000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 5    coordinates: [  0.259347635000000,  0.240652365000000,  0.821636970000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 6    coordinates: [  0.759347635000000,  0.240652365000000,  0.821636970000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 7    coordinates: [  0.259347635000000,  0.740652365000000,  0.821636970000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 8    coordinates: [  0.759347635000000,  0.740652365000000,  0.821636970000000 ]    mass: 18.998403    reduced_to: 1  - symbol: F  # 9    coordinates: [  0.018695265000000,  0.259347635000000,  0.071636970000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 10    coordinates: [  0.518695265000000,  0.259347635000000,  0.071636970000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 11    coordinates: [  0.018695265000000,  0.759347635000000,  0.071636970000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 12    coordinates: [  0.518695265000000,  0.759347635000000,  0.071636970000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 13    coordinates: [  0.018695265000000,  0.259347635000000,  0.571636970000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 14    coordinates: [  0.518695265000000,  0.259347635000000,  0.571636970000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 15    coordinates: [  0.018695265000000,  0.759347635000000,  0.571636970000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 16    coordinates: [  0.518695265000000,  0.759347635000000,  0.571636970000000 ]    mass: 18.998403    reduced_to: 9  - symbol: F  # 17    coordinates: [  0.240652365000000,  0.481304735000000,  0.071636970000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.740652365000000,  0.481304735000000,  0.071636970000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 19    coordinates: [  0.240652365000000,  0.981304735000000,  0.071636970000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 20    coordinates: [  0.740652365000000,  0.981304735000000,  0.071636970000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 21    coordinates: [  0.240652365000000,  0.481304735000000,  0.571636970000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 22    coordinates: [  0.740652365000000,  0.481304735000000,  0.571636970000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 23    coordinates: [  0.240652365000000,  0.981304735000000,  0.571636970000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 24    coordinates: [  0.740652365000000,  0.981304735000000,  0.571636970000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 25    coordinates: [  0.259347635000000,  0.018695265000000,  0.321636970000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 26    coordinates: [  0.759347635000000,  0.018695265000000,  0.321636970000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 27    coordinates: [  0.259347635000000,  0.518695265000000,  0.321636970000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 28    coordinates: [  0.759347635000000,  0.518695265000000,  0.321636970000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 29    coordinates: [  0.259347635000000,  0.018695265000000,  0.821636970000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 30    coordinates: [  0.759347635000000,  0.018695265000000,  0.821636970000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 31    coordinates: [  0.259347635000000,  0.518695265000000,  0.821636970000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 32    coordinates: [  0.759347635000000,  0.518695265000000,  0.821636970000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 33    coordinates: [  0.481304735000000,  0.240652365000000,  0.321636970000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 34    coordinates: [  0.981304735000000,  0.240652365000000,  0.321636970000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 35    coordinates: [  0.481304735000000,  0.740652365000000,  0.321636970000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 36    coordinates: [  0.981304735000000,  0.740652365000000,  0.321636970000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 37    coordinates: [  0.481304735000000,  0.240652365000000,  0.821636970000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 38    coordinates: [  0.981304735000000,  0.240652365000000,  0.821636970000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 39    coordinates: [  0.481304735000000,  0.740652365000000,  0.821636970000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 40    coordinates: [  0.981304735000000,  0.740652365000000,  0.821636970000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 41    coordinates: [  0.240652365000000,  0.259347635000000,  0.071636970000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 42    coordinates: [  0.740652365000000,  0.259347635000000,  0.071636970000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 43    coordinates: [  0.240652365000000,  0.759347635000000,  0.071636970000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 44    coordinates: [  0.740652365000000,  0.759347635000000,  0.071636970000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 45    coordinates: [  0.240652365000000,  0.259347635000000,  0.571636970000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 46    coordinates: [  0.740652365000000,  0.259347635000000,  0.571636970000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 47    coordinates: [  0.240652365000000,  0.759347635000000,  0.571636970000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 48    coordinates: [  0.740652365000000,  0.759347635000000,  0.571636970000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 49    coordinates: [  0.090725755000000,  0.409274245000000,  0.182066655000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 50    coordinates: [  0.590725755000000,  0.409274245000000,  0.182066655000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 51    coordinates: [  0.090725755000000,  0.909274245000000,  0.182066655000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 52    coordinates: [  0.590725755000000,  0.909274245000000,  0.182066655000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 53    coordinates: [  0.090725755000000,  0.409274245000000,  0.682066655000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 54    coordinates: [  0.590725755000000,  0.409274245000000,  0.682066655000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 55    coordinates: [  0.090725755000000,  0.909274245000000,  0.682066655000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 56    coordinates: [  0.590725755000000,  0.909274245000000,  0.682066655000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 57    coordinates: [  0.181451500000000,  0.090725755000000,  0.432066655000000 ]    mass: 18.998403    reduced_to: 57  - symbol: F  # 58    coordinates: [  0.681451500000000,  0.090725755000000,  0.432066655000000 ]    mass: 18.998403    reduced_to: 57  - symbol: F  # 59    coordinates: [  0.181451500000000,  0.590725755000000,  0.432066655000000 ]    mass: 18.998403    reduced_to: 57  - symbol: F  # 60    coordinates: [  0.681451500000000,  0.590725755000000,  0.432066655000000 ]    mass: 18.998403    reduced_to: 57  - symbol: F  # 61    coordinates: [  0.181451500000000,  0.090725755000000,  0.932066655000000 ]    mass: 18.998403    reduced_to: 57  - symbol: F  # 62    coordinates: [  0.681451500000000,  0.090725755000000,  0.932066655000000 ]    mass: 18.998403    reduced_to: 57  - symbol: F  # 63    coordinates: [  0.181451500000000,  0.590725755000000,  0.932066655000000 ]    mass: 18.998403    reduced_to: 57  - symbol: F  # 64    coordinates: [  0.681451500000000,  0.590725755000000,  0.932066655000000 ]    mass: 18.998403    reduced_to: 57  - symbol: F  # 65    coordinates: [  0.409274245000000,  0.318548500000000,  0.432066655000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 66    coordinates: [  0.909274245000000,  0.318548500000000,  0.432066655000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 67    coordinates: [  0.409274245000000,  0.818548500000000,  0.432066655000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 68    coordinates: [  0.909274245000000,  0.818548500000000,  0.432066655000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 69    coordinates: [  0.409274245000000,  0.318548500000000,  0.932066655000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 70    coordinates: [  0.909274245000000,  0.318548500000000,  0.932066655000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 71    coordinates: [  0.409274245000000,  0.818548500000000,  0.932066655000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 72    coordinates: [  0.909274245000000,  0.818548500000000,  0.932066655000000 ]    mass: 18.998403    reduced_to: 65  - symbol: F  # 73    coordinates: [  0.090725755000000,  0.181451500000000,  0.182066655000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 74    coordinates: [  0.590725755000000,  0.181451500000000,  0.182066655000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 75    coordinates: [  0.090725755000000,  0.681451500000000,  0.182066655000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 76    coordinates: [  0.590725755000000,  0.681451500000000,  0.182066655000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 77    coordinates: [  0.090725755000000,  0.181451500000000,  0.682066655000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 78    coordinates: [  0.590725755000000,  0.181451500000000,  0.682066655000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 79    coordinates: [  0.090725755000000,  0.681451500000000,  0.682066655000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 80    coordinates: [  0.590725755000000,  0.681451500000000,  0.682066655000000 ]    mass: 18.998403    reduced_to: 73  - symbol: F  # 81    coordinates: [  0.318548500000000,  0.409274245000000,  0.182066655000000 ]    mass: 18.998403    reduced_to: 81  - symbol: F  # 82    coordinates: [  0.818548500000000,  0.409274245000000,  0.182066655000000 ]    mass: 18.998403    reduced_to: 81  - symbol: F  # 83    coordinates: [  0.318548500000000,  0.909274245000000,  0.182066655000000 ]    mass: 18.998403    reduced_to: 81  - symbol: F  # 84    coordinates: [  0.818548500000000,  0.909274245000000,  0.182066655000000 ]    mass: 18.998403    reduced_to: 81  - symbol: F  # 85    coordinates: [  0.318548500000000,  0.409274245000000,  0.682066655000000 ]    mass: 18.998403    reduced_to: 81  - symbol: F  # 86    coordinates: [  0.818548500000000,  0.409274245000000,  0.682066655000000 ]    mass: 18.998403    reduced_to: 81  - symbol: F  # 87    coordinates: [  0.318548500000000,  0.909274245000000,  0.682066655000000 ]    mass: 18.998403    reduced_to: 81  - symbol: F  # 88    coordinates: [  0.818548500000000,  0.909274245000000,  0.682066655000000 ]    mass: 18.998403    reduced_to: 81  - symbol: F  # 89    coordinates: [  0.409274245000000,  0.090725755000000,  0.432066655000000 ]    mass: 18.998403    reduced_to: 89  - symbol: F  # 90    coordinates: [  0.909274245000000,  0.090725755000000,  0.432066655000000 ]    mass: 18.998403    reduced_to: 89  - symbol: F  # 91    coordinates: [  0.409274245000000,  0.590725755000000,  0.432066655000000 ]    mass: 18.998403    reduced_to: 89  - symbol: F  # 92    coordinates: [  0.909274245000000,  0.590725755000000,  0.432066655000000 ]    mass: 18.998403    reduced_to: 89  - symbol: F  # 93    coordinates: [  0.409274245000000,  0.090725755000000,  0.932066655000000 ]    mass: 18.998403    reduced_to: 89  - symbol: F  # 94    coordinates: [  0.909274245000000,  0.090725755000000,  0.932066655000000 ]    mass: 18.998403    reduced_to: 89  - symbol: F  # 95    coordinates: [  0.409274245000000,  0.590725755000000,  0.932066655000000 ]    mass: 18.998403    reduced_to: 89  - symbol: F  # 96    coordinates: [  0.909274245000000,  0.590725755000000,  0.932066655000000 ]    mass: 18.998403    reduced_to: 89  - symbol: K  # 97    coordinates: [  0.000000000000000,  0.000000000000000,  0.048802740000000 ]    mass: 39.098300    reduced_to: 97  - symbol: K  # 98    coordinates: [  0.500000000000000,  0.000000000000000,  0.048802740000000 ]    mass: 39.098300    reduced_to: 97  - symbol: K  # 99    coordinates: [  0.000000000000000,  0.500000000000000,  0.048802740000000 ]    mass: 39.098300    reduced_to: 97  - symbol: K  # 100    coordinates: [  0.500000000000000,  0.500000000000000,  0.048802740000000 ]    mass: 39.098300    reduced_to: 97  - symbol: K  # 101    coordinates: [  0.000000000000000,  0.000000000000000,  0.548802740000000 ]    mass: 39.098300    reduced_to: 97  - symbol: K  # 102    coordinates: [  0.500000000000000,  0.000000000000000,  0.548802740000000 ]    mass: 39.098300    reduced_to: 97  - symbol: K  # 103    coordinates: [  0.000000000000000,  0.500000000000000,  0.548802740000000 ]    mass: 39.098300    reduced_to: 97  - symbol: K  # 104    coordinates: [  0.500000000000000,  0.500000000000000,  0.548802740000000 ]    mass: 39.098300    reduced_to: 97  - symbol: K  # 105    coordinates: [  0.000000000000000,  0.000000000000000,  0.298802740000000 ]    mass: 39.098300    reduced_to: 105  - symbol: K  # 106    coordinates: [  0.500000000000000,  0.000000000000000,  0.298802740000000 ]    mass: 39.098300    reduced_to: 105  - symbol: K  # 107    coordinates: [  0.000000000000000,  0.500000000000000,  0.298802740000000 ]    mass: 39.098300    reduced_to: 105  - symbol: K  # 108    coordinates: [  0.500000000000000,  0.500000000000000,  0.298802740000000 ]    mass: 39.098300    reduced_to: 105  - symbol: K  # 109    coordinates: [  0.000000000000000,  0.000000000000000,  0.798802740000000 ]    mass: 39.098300    reduced_to: 105  - symbol: K  # 110    coordinates: [  0.500000000000000,  0.000000000000000,  0.798802740000000 ]    mass: 39.098300    reduced_to: 105  - symbol: K  # 111    coordinates: [  0.000000000000000,  0.500000000000000,  0.798802740000000 ]    mass: 39.098300    reduced_to: 105  - symbol: K  # 112    coordinates: [  0.500000000000000,  0.500000000000000,  0.798802740000000 ]    mass: 39.098300    reduced_to: 105  - symbol: K  # 113    coordinates: [  0.333333335000000,  0.166666665000000,  0.186504780000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 114    coordinates: [  0.833333335000000,  0.166666665000000,  0.186504780000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 115    coordinates: [  0.333333335000000,  0.666666665000000,  0.186504780000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 116    coordinates: [  0.833333335000000,  0.666666665000000,  0.186504780000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 117    coordinates: [  0.333333335000000,  0.166666665000000,  0.686504780000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 118    coordinates: [  0.833333335000000,  0.166666665000000,  0.686504780000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 119    coordinates: [  0.333333335000000,  0.666666665000000,  0.686504780000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 120    coordinates: [  0.833333335000000,  0.666666665000000,  0.686504780000000 ]    mass: 39.098300    reduced_to: 113  - symbol: K  # 121    coordinates: [  0.166666665000000,  0.333333335000000,  0.436504780000000 ]    mass: 39.098300    reduced_to: 121  - symbol: K  # 122    coordinates: [  0.666666665000000,  0.333333335000000,  0.436504780000000 ]    mass: 39.098300    reduced_to: 121  - symbol: K  # 123    coordinates: [  0.166666665000000,  0.833333335000000,  0.436504780000000 ]    mass: 39.098300    reduced_to: 121  - symbol: K  # 124    coordinates: [  0.666666665000000,  0.833333335000000,  0.436504780000000 ]    mass: 39.098300    reduced_to: 121  - symbol: K  # 125    coordinates: [  0.166666665000000,  0.333333335000000,  0.936504780000000 ]    mass: 39.098300    reduced_to: 121  - symbol: K  # 126    coordinates: [  0.666666665000000,  0.333333335000000,  0.936504780000000 ]    mass: 39.098300    reduced_to: 121  - symbol: K  # 127    coordinates: [  0.166666665000000,  0.833333335000000,  0.936504780000000 ]    mass: 39.098300    reduced_to: 121  - symbol: K  # 128    coordinates: [  0.666666665000000,  0.833333335000000,  0.936504780000000 ]    mass: 39.098300    reduced_to: 121  - symbol: Ge # 129    coordinates: [  0.333333335000000,  0.166666665000000,  0.378581595000000 ]    mass: 72.640000    reduced_to: 129  - symbol: Ge # 130    coordinates: [  0.833333335000000,  0.166666665000000,  0.378581595000000 ]    mass: 72.640000    reduced_to: 129  - symbol: Ge # 131    coordinates: [  0.333333335000000,  0.666666665000000,  0.378581595000000 ]    mass: 72.640000    reduced_to: 129  - symbol: Ge # 132    coordinates: [  0.833333335000000,  0.666666665000000,  0.378581595000000 ]    mass: 72.640000    reduced_to: 129  - symbol: Ge # 133    coordinates: [  0.333333335000000,  0.166666665000000,  0.878581595000000 ]    mass: 72.640000    reduced_to: 129  - symbol: Ge # 134    coordinates: [  0.833333335000000,  0.166666665000000,  0.878581595000000 ]    mass: 72.640000    reduced_to: 129  - symbol: Ge # 135    coordinates: [  0.333333335000000,  0.666666665000000,  0.878581595000000 ]    mass: 72.640000    reduced_to: 129  - symbol: Ge # 136    coordinates: [  0.833333335000000,  0.666666665000000,  0.878581595000000 ]    mass: 72.640000    reduced_to: 129  - symbol: Ge # 137    coordinates: [  0.166666665000000,  0.333333335000000,  0.128581595000000 ]    mass: 72.640000    reduced_to: 137  - symbol: Ge # 138    coordinates: [  0.666666665000000,  0.333333335000000,  0.128581595000000 ]    mass: 72.640000    reduced_to: 137  - symbol: Ge # 139    coordinates: [  0.166666665000000,  0.833333335000000,  0.128581595000000 ]    mass: 72.640000    reduced_to: 137  - symbol: Ge # 140    coordinates: [  0.666666665000000,  0.833333335000000,  0.128581595000000 ]    mass: 72.640000    reduced_to: 137  - symbol: Ge # 141    coordinates: [  0.166666665000000,  0.333333335000000,  0.628581595000000 ]    mass: 72.640000    reduced_to: 137  - symbol: Ge # 142    coordinates: [  0.666666665000000,  0.333333335000000,  0.628581595000000 ]    mass: 72.640000    reduced_to: 137  - symbol: Ge # 143    coordinates: [  0.166666665000000,  0.833333335000000,  0.628581595000000 ]    mass: 72.640000    reduced_to: 137  - symbol: Ge # 144    coordinates: [  0.666666665000000,  0.833333335000000,  0.628581595000000 ]    mass: 72.640000    reduced_to: 137born_effective_charge:- # 1 (F)  - [ -1.000519690000000,  0.119195050000000, -0.165562990000000 ]  - [  0.119195050000000, -0.862885100000000,  0.095587840000000 ]  - [ -0.154575060000000,  0.089243950000000, -0.942212730000000 ]- # 2 (F)  - [ -1.000519688805356, -0.119195051103091, -0.165562993164071 ]  - [ -0.119195050276365, -0.862885101194644, -0.095587835183962 ]  - [ -0.154575057431496, -0.089243953828573, -0.942212730000000 ]- # 3 (F)  - [ -0.794067806194643,  0.000000000068869,  0.000000003164071 ]  - [  0.000000001310586, -1.069336983805356,  0.191175675183962 ]  - [ -0.000000002568504,  0.178487903828573, -0.942212730000000 ]- # 4 (F)  - [ -0.794067806194643,  0.000000000068869, -0.000000003164071 ]  - [  0.000000001310586, -1.069336983805356, -0.191175675183962 ]  - [  0.000000002568504, -0.178487903828573, -0.942212730000000 ]- # 5 (F)  - [ -1.000519688805356, -0.119195051103091,  0.165562993164071 ]  - [ -0.119195050276365, -0.862885101194644,  0.095587835183962 ]  - [  0.154575057431496,  0.089243953828573, -0.942212730000000 ]- # 6 (F)  - [ -1.000519690000000,  0.119195050000000,  0.165562990000000 ]  - [  0.119195050000000, -0.862885100000000, -0.095587840000000 ]  - [  0.154575060000000, -0.089243950000000, -0.942212730000000 ]- # 7 (F)  - [ -1.065336840000000,  0.137841680000000,  0.268059070000000 ]  - [  0.137841680000000, -0.906170980000000, -0.154763980000000 ]  - [  0.263948000000000, -0.152390450000000, -0.914117130000000 ]- # 8 (F)  - [ -1.065336841580325, -0.137841679565628,  0.268059073968915 ]  - [ -0.137841678609570, -0.906170978419675,  0.154763974201181 ]  - [  0.263948000306721,  0.152390448409696, -0.914117130000000 ]- # 9 (F)  - [ -0.826588048419674, -0.000000001630386, -0.000000003968915 ]  - [ -0.000000000194417, -1.144919771580325, -0.309527954201181 ]  - [ -0.000000000306721, -0.304780898409696, -0.914117130000000 ]- # 10 (F)  - [ -0.826588048419674, -0.000000001630386,  0.000000003968915 ]  - [ -0.000000000194417, -1.144919771580325,  0.309527954201181 ]  - [  0.000000000306721,  0.304780898409696, -0.914117130000000 ]- # 11 (F)  - [ -1.065336841580325, -0.137841679565628, -0.268059073968915 ]  - [ -0.137841678609570, -0.906170978419675, -0.154763974201181 ]  - [ -0.263948000306721, -0.152390448409696, -0.914117130000000 ]- # 12 (F)  - [ -1.065336840000000,  0.137841680000000, -0.268059070000000 ]  - [  0.137841680000000, -0.906170980000000,  0.154763980000000 ]  - [ -0.263948000000000,  0.152390450000000, -0.914117130000000 ]- # 13 (K)  - [  1.243922130000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.243922130000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.184988480000000 ]- # 14 (K)  - [  1.243922130000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.243922130000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.184988480000000 ]- # 15 (K)  - [  1.184793260000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.184793260000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.183767550000000 ]- # 16 (K)  - [  1.184793260000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.184793260000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.183767550000000 ]- # 17 (Ge)  - [  3.323653530000001,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  3.323653530000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.200233560000000 ]- # 18 (Ge)  - [  3.323653530000000, -0.000000000000001,  0.000000000000000 ]  - [ -0.000000000000000,  3.323653530000001,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.200233560000000 ]dielectric_constant:  - [  2.047926970000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.047926960000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.021791420000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1075636900000000,  0.0401231300000000, -0.0576597600000000 ]  - [   0.0023914700000000, -0.0004573200000000, -0.0001380500000000 ]  - [   0.0009855300000000, -0.0012718200000000, -0.0002465500000000 ]  - [   0.0003459300000000,  0.0004490300000000, -0.0006595300000000 ]  - [   0.0004170300000000, -0.0002524300000000, -0.0003138200000000 ]  - [   0.0004966500000000, -0.0002680000000000, -0.0003105900000000 ]  - [   0.0004660900000000, -0.0002860800000000, -0.0003181700000000 ]  - [   0.0004498700000000, -0.0002472400000000, -0.0003200500000000 ]  - [   0.0007658900000000,  0.0002119600000000,  0.0002125700000000 ]  - [   0.0003952400000000,  0.0002826100000000, -0.0006765900000000 ]  - [   0.0004198200000000,  0.0002768400000000, -0.0003609100000000 ]  - [   0.0004528500000000,  0.0002281000000000, -0.0003737900000000 ]  - [   0.0003932300000000,  0.0002863100000000, -0.0008584500000000 ]  - [   0.0007674700000000,  0.0003505400000000,  0.0002125300000000 ]  - [   0.0004187200000000,  0.0002207500000000, -0.0003064200000000 ]  - [   0.0004538700000000,  0.0002901400000000, -0.0003792100000000 ]  - [   0.0000200900000000, -0.0007744200000000,  0.0000078200000000 ]  - [   0.0000944200000000, -0.0004034600000000, -0.0005482200000000 ]  - [  -0.0001507600000000, -0.0005957200000000, -0.0004858400000000 ]  - [   0.0001236500000000, -0.0004723000000000, -0.0002895900000000 ]  - [  -0.0001546100000000, -0.0005916800000000, -0.0007709100000000 ]  - [   0.0001419600000000, -0.0004316200000000, -0.0001580400000000 ]  - [  -0.0001000000000000, -0.0007037300000000, -0.0001313500000000 ]  - [   0.0000699100000000, -0.0004410500000000, -0.0004550400000000 ]  - [   0.0019426000000000, -0.0116529200000000, -0.0000620300000000 ]  - [   0.0009413900000000,  0.0009315700000000, -0.0004326100000000 ]  - [   0.0003968400000000, -0.0020299800000000, -0.0009528900000000 ]  - [   0.0003110500000000,  0.0013048500000000, -0.0003422900000000 ]  - [  -0.0000177300000000,  0.0005346000000000, -0.0003138400000000 ]  - [   0.0000283500000000,  0.0005409600000000, -0.0003191700000000 ]  - [   0.0000024000000000,  0.0005122300000000, -0.0003224300000000 ]  - [   0.0000092700000000,  0.0005506200000000, -0.0003147700000000 ]  - [   0.0242026400000000, -0.0010425400000000,  0.0006483300000000 ]  - [   0.0034593300000000,  0.0002463900000000, -0.0011968800000000 ]  - [  -0.0006256300000000, -0.0007658400000000, -0.0003754800000000 ]  - [  -0.0006273400000000, -0.0000367100000000, -0.0005177500000000 ]  - [  -0.0004834200000000, -0.0002705900000000, -0.0003077900000000 ]  - [  -0.0004350300000000, -0.0002656000000000, -0.0003205800000000 ]  - [  -0.0004608100000000, -0.0002864100000000, -0.0003213100000000 ]  - [  -0.0004594600000000, -0.0002630600000000, -0.0003209200000000 ]  - [  -0.0009276500000000,  0.0003463000000000,  0.0001845800000000 ]  - [  -0.0001692000000000,  0.0002558900000000, -0.0005548000000000 ]  - [  -0.0004036100000000,  0.0001014600000000, -0.0004708400000000 ]  - [  -0.0004713100000000,  0.0003782200000000, -0.0002832000000000 ]  - [  -0.0009254700000000,  0.0003442500000000, -0.0004038000000000 ]  - [  -0.0001708800000000,  0.0002377600000000, -0.0002682500000000 ]  - [  -0.0004035800000000,  0.0001204100000000, -0.0003211700000000 ]  - [  -0.0004699500000000,  0.0003768700000000, -0.0003515800000000 ]  - [   0.0004615600000000, -0.0004504900000000,  0.0007718800000000 ]  - [   0.0002883400000000,  0.0002103100000000, -0.0003005600000000 ]  - [  -0.0004708500000000,  0.0001025000000000,  0.0004334700000000 ]  - [   0.0004017300000000, -0.0001367800000000,  0.0002268700000000 ]  - [   0.0001282400000000, -0.0000960300000000,  0.0002449100000000 ]  - [   0.0000516200000000,  0.0000362300000000,  0.0005670300000000 ]  - [   0.0000095800000000, -0.0000460200000000,  0.0004543800000000 ]  - [   0.0001291500000000, -0.0000543200000000,  0.0003755000000000 ]  - [  -0.0058110200000000,  0.0011286000000000, -0.0009991100000000 ]  - [   0.0010696500000000,  0.0001198300000000,  0.0001411900000000 ]  - [   0.0003366400000000, -0.0006184500000000,  0.0001400000000000 ]  - [   0.0003105600000000,  0.0006919500000000,  0.0002198000000000 ]  - [   0.0000011700000000,  0.0000443100000000,  0.0004505200000000 ]  - [   0.0001291400000000,  0.0000432200000000,  0.0003808000000000 ]  - [   0.0000777000000000, -0.0000052200000000,  0.0004289900000000 ]  - [   0.0000576300000000,  0.0000541700000000,  0.0003996400000000 ]  - [   0.0018624600000000,  0.0045684000000000,  0.0118634800000000 ]  - [   0.0010080500000000, -0.0003078600000000, -0.0000711900000000 ]  - [   0.0001662800000000, -0.0006587100000000,  0.0002405500000000 ]  - [  -0.0001135700000000,  0.0003189400000000,  0.0002531600000000 ]  - [  -0.0000519600000000, -0.0000609100000000,  0.0004233600000000 ]  - [   0.0000592900000000, -0.0000742800000000,  0.0004312000000000 ]  - [   0.0000133100000000, -0.0001223800000000,  0.0003824900000000 ]  - [  -0.0000036800000000, -0.0000389400000000,  0.0004277200000000 ]  - [   0.0005890900000000, -0.0003139000000000,  0.0028342900000000 ]  - [   0.0004297900000000,  0.0003229000000000, -0.0003846300000000 ]  - [  -0.0000075100000000, -0.0000883600000000,  0.0003485600000000 ]  - [  -0.0000341900000000,  0.0002347700000000,  0.0002639500000000 ]  - [  -0.0000907500000000,  0.0001299300000000,  0.0003123600000000 ]  - [   0.0000871500000000,  0.0000111900000000,  0.0005460500000000 ]  - [   0.0000093000000000,  0.0000310600000000,  0.0004135100000000 ]  - [  -0.0000194900000000,  0.0001333300000000,  0.0004056500000000 ]  - [  -0.0005501300000000, -0.0006837700000000,  0.0014170500000000 ]  - [   0.0003415400000000,  0.0000940500000000,  0.0003230200000000 ]  - [  -0.0003069700000000, -0.0004592100000000, -0.0001563800000000 ]  - [   0.0003152700000000,  0.0003218000000000,  0.0007177300000000 ]  - [  -0.0002154700000000, -0.0000431200000000,  0.0003291200000000 ]  - [   0.0000474100000000, -0.0000054300000000,  0.0004755700000000 ]  - [  -0.0000599000000000, -0.0000852600000000,  0.0004490500000000 ]  - [  -0.0000670400000000,  0.0000038800000000,  0.0003822800000000 ]  - [   0.0011551000000000, -0.0019104300000000,  0.0029471000000000 ]  - [   0.0007162300000000,  0.0005640400000000, -0.0002352900000000 ]  - [  -0.0006738000000000, -0.0002702100000000, -0.0000406200000000 ]  - [   0.0001534500000000,  0.0001696600000000,  0.0003997800000000 ]  - [  -0.0001183100000000,  0.0000519300000000,  0.0003658700000000 ]  - [  -0.0000259500000000,  0.0000521900000000,  0.0004613300000000 ]  - [  -0.0000821500000000,  0.0000128000000000,  0.0004319900000000 ]  - [  -0.0000662800000000,  0.0000550600000000,  0.0003956100000000 ]  - 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