# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2e135756-645a-43a8-82bf-516dc32af53d/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 K3P6N11 / P4_132 (213) / materials id 14565](https://mdr.nims.go.jp/datasets/c7e148b0-6145-46eb-807f-a162094a3186)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P4_132"  number: 213  Hall_symbol: "P 4bd 2ab 3"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    10.436120949999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.436120949999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.436120949999999 ] # c  points:  - symbol: N  # 1    coordinates: [  0.546392870000000,  0.546392870000000,  0.546392870000000 ]    mass: 14.006700  - symbol: N  # 2    coordinates: [  0.796392870000000,  0.703607130000000,  0.296392870000000 ]    mass: 14.006700  - symbol: N  # 3    coordinates: [  0.703607130000000,  0.296392870000000,  0.796392870000000 ]    mass: 14.006700  - symbol: N  # 4    coordinates: [  0.296392870000000,  0.796392870000000,  0.703607130000000 ]    mass: 14.006700  - symbol: N  # 5    coordinates: [  0.046392870000000,  0.953607130000000,  0.453607130000000 ]    mass: 14.006700  - symbol: N  # 6    coordinates: [  0.953607130000000,  0.453607130000000,  0.046392870000000 ]    mass: 14.006700  - symbol: N  # 7    coordinates: [  0.453607130000000,  0.046392870000000,  0.953607130000000 ]    mass: 14.006700  - symbol: N  # 8    coordinates: [  0.203607130000000,  0.203607130000000,  0.203607130000000 ]    mass: 14.006700  - symbol: N  # 9    coordinates: [  0.625000000000000,  0.302328030000000,  0.552328030000000 ]    mass: 14.006700  - symbol: N  # 10    coordinates: [  0.697671970000000,  0.052328030000000,  0.875000000000000 ]    mass: 14.006700  - symbol: N  # 11    coordinates: [  0.552328030000000,  0.625000000000000,  0.302328030000000 ]    mass: 14.006700  - symbol: N  # 12    coordinates: [  0.947671970000000,  0.375000000000000,  0.802328030000000 ]    mass: 14.006700  - symbol: N  # 13    coordinates: [  0.302328030000000,  0.552328030000000,  0.625000000000000 ]    mass: 14.006700  - symbol: N  # 14    coordinates: [  0.447671970000000,  0.125000000000000,  0.197671970000000 ]    mass: 14.006700  - symbol: N  # 15    coordinates: [  0.052328030000000,  0.875000000000000,  0.697671970000000 ]    mass: 14.006700  - symbol: N  # 16    coordinates: [  0.802328030000000,  0.947671970000000,  0.375000000000000 ]    mass: 14.006700  - symbol: N  # 17    coordinates: [  0.197671970000000,  0.447671970000000,  0.125000000000000 ]    mass: 14.006700  - symbol: N  # 18    coordinates: [  0.875000000000000,  0.697671970000000,  0.052328030000000 ]    mass: 14.006700  - symbol: N  # 19    coordinates: [  0.375000000000000,  0.802328030000000,  0.947671970000000 ]    mass: 14.006700  - symbol: N  # 20    coordinates: [  0.278882290000000,  0.013490520000000,  0.354894630000000 ]    mass: 14.006700  - symbol: N  # 21    coordinates: [  0.125000000000000,  0.197671970000000,  0.447671970000000 ]    mass: 14.006700  - symbol: N  # 22    coordinates: [  0.236509480000000,  0.028882290000000,  0.604894630000000 ]    mass: 14.006700  - symbol: N  # 23    coordinates: [  0.471117710000000,  0.395105370000000,  0.736509480000000 ]    mass: 14.006700  - symbol: N  # 24    coordinates: [  0.528882290000000,  0.895105370000000,  0.763490520000000 ]    mass: 14.006700  - symbol: N  # 25    coordinates: [  0.395105370000000,  0.736509480000000,  0.471117710000000 ]    mass: 14.006700  - symbol: N  # 26    coordinates: [  0.104894630000000,  0.263490520000000,  0.971117710000000 ]    mass: 14.006700  - symbol: N  # 27    coordinates: [  0.486509480000000,  0.645105370000000,  0.778882290000000 ]    mass: 14.006700  - symbol: N  # 28    coordinates: [  0.986509480000000,  0.854894630000000,  0.221117710000000 ]    mass: 14.006700  - symbol: N  # 29    coordinates: [  0.513490520000000,  0.145105370000000,  0.721117710000000 ]    mass: 14.006700  - symbol: N  # 30    coordinates: [  0.854894630000000,  0.221117710000000,  0.986509480000000 ]    mass: 14.006700  - symbol: N  # 31    coordinates: [  0.721117710000000,  0.513490520000000,  0.145105370000000 ]    mass: 14.006700  - symbol: N  # 32    coordinates: [  0.221117710000000,  0.986509480000000,  0.854894630000000 ]    mass: 14.006700  - symbol: N  # 33    coordinates: [  0.645105370000000,  0.778882290000000,  0.486509480000000 ]    mass: 14.006700  - symbol: N  # 34    coordinates: [  0.778882290000000,  0.486509480000000,  0.645105370000000 ]    mass: 14.006700  - symbol: N  # 35    coordinates: [  0.145105370000000,  0.721117710000000,  0.513490520000000 ]    mass: 14.006700  - symbol: N  # 36    coordinates: [  0.354894630000000,  0.278882290000000,  0.013490520000000 ]    mass: 14.006700  - symbol: N  # 37    coordinates: [  0.013490520000000,  0.354894630000000,  0.278882290000000 ]    mass: 14.006700  - symbol: N  # 38    coordinates: [  0.263490520000000,  0.971117710000000,  0.104894630000000 ]    mass: 14.006700  - symbol: N  # 39    coordinates: [  0.763490520000000,  0.528882290000000,  0.895105370000000 ]    mass: 14.006700  - symbol: N  # 40    coordinates: [  0.028882290000000,  0.604894630000000,  0.236509480000000 ]    mass: 14.006700  - symbol: N  # 41    coordinates: [  0.971117710000000,  0.104894630000000,  0.263490520000000 ]    mass: 14.006700  - symbol: N  # 42    coordinates: [  0.895105370000000,  0.763490520000000,  0.528882290000000 ]    mass: 14.006700  - symbol: N  # 43    coordinates: [  0.604894630000000,  0.236509480000000,  0.028882290000000 ]    mass: 14.006700  - symbol: N  # 44    coordinates: [  0.736509480000000,  0.471117710000000,  0.395105370000000 ]    mass: 14.006700  - symbol: P  # 45    coordinates: [  0.677704120000000,  0.448496830000000,  0.534074520000000 ]    mass: 30.973762  - symbol: P  # 46    coordinates: [  0.177704120000000,  0.051503170000000,  0.465925480000000 ]    mass: 30.973762  - symbol: P  # 47    coordinates: [  0.448496830000000,  0.534074520000000,  0.677704120000000 ]    mass: 30.973762  - symbol: P  # 48    coordinates: [  0.551503170000000,  0.034074520000000,  0.822295880000000 ]    mass: 30.973762  - symbol: P  # 49    coordinates: [  0.534074520000000,  0.677704120000000,  0.448496830000000 ]    mass: 30.973762  - symbol: P  # 50    coordinates: [  0.965925480000000,  0.322295880000000,  0.948496830000000 ]    mass: 30.973762  - symbol: P  # 51    coordinates: [  0.427704120000000,  0.784074520000000,  0.801503170000000 ]    mass: 30.973762  - symbol: P  # 52    coordinates: [  0.927704120000000,  0.715925480000000,  0.198496830000000 ]    mass: 30.973762  - symbol: P  # 53    coordinates: [  0.572295880000000,  0.284074520000000,  0.698496830000000 ]    mass: 30.973762  - symbol: P  # 54    coordinates: [  0.715925480000000,  0.198496830000000,  0.927704120000000 ]    mass: 30.973762  - symbol: P  # 55    coordinates: [  0.698496830000000,  0.572295880000000,  0.284074520000000 ]    mass: 30.973762  - symbol: P  # 56    coordinates: [  0.198496830000000,  0.927704120000000,  0.715925480000000 ]    mass: 30.973762  - symbol: P  # 57    coordinates: [  0.784074520000000,  0.801503170000000,  0.427704120000000 ]    mass: 30.973762  - symbol: P  # 58    coordinates: [  0.801503170000000,  0.427704120000000,  0.784074520000000 ]    mass: 30.973762  - symbol: P  # 59    coordinates: [  0.284074520000000,  0.698496830000000,  0.572295880000000 ]    mass: 30.973762  - symbol: P  # 60    coordinates: [  0.215925480000000,  0.301503170000000,  0.072295880000000 ]    mass: 30.973762  - symbol: P  # 61    coordinates: [  0.301503170000000,  0.072295880000000,  0.215925480000000 ]    mass: 30.973762  - symbol: P  # 62    coordinates: [  0.465925480000000,  0.177704120000000,  0.051503170000000 ]    mass: 30.973762  - symbol: P  # 63    coordinates: [  0.034074520000000,  0.822295880000000,  0.551503170000000 ]    mass: 30.973762  - symbol: P  # 64    coordinates: [  0.948496830000000,  0.965925480000000,  0.322295880000000 ]    mass: 30.973762  - symbol: P  # 65    coordinates: [  0.051503170000000,  0.465925480000000,  0.177704120000000 ]    mass: 30.973762  - symbol: P  # 66    coordinates: [  0.822295880000000,  0.551503170000000,  0.034074520000000 ]    mass: 30.973762  - symbol: P  # 67    coordinates: [  0.322295880000000,  0.948496830000000,  0.965925480000000 ]    mass: 30.973762  - symbol: P  # 68    coordinates: [  0.072295880000000,  0.215925480000000,  0.301503170000000 ]    mass: 30.973762  - symbol: K  # 69    coordinates: [  0.000384270000000,  0.000384270000000,  0.000384270000000 ]    mass: 39.098300  - symbol: K  # 70    coordinates: [  0.250384270000000,  0.249615730000000,  0.750384270000000 ]    mass: 39.098300  - symbol: K  # 71    coordinates: [  0.249615730000000,  0.750384270000000,  0.250384270000000 ]    mass: 39.098300  - symbol: K  # 72    coordinates: [  0.750384270000000,  0.250384270000000,  0.249615730000000 ]    mass: 39.098300  - symbol: K  # 73    coordinates: [  0.500384270000000,  0.499615730000000,  0.999615730000000 ]    mass: 39.098300  - symbol: K  # 74    coordinates: [  0.499615730000000,  0.999615730000000,  0.500384270000000 ]    mass: 39.098300  - symbol: K  # 75    coordinates: [  0.999615730000000,  0.500384270000000,  0.499615730000000 ]    mass: 39.098300  - symbol: K  # 76    coordinates: [  0.749615730000000,  0.749615730000000,  0.749615730000000 ]    mass: 39.098300  - symbol: K  # 77    coordinates: [  0.875000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 39.098300  - symbol: K  # 78    coordinates: [  0.125000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 39.098300  - symbol: K  # 79    coordinates: [  0.625000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 39.098300  - symbol: K  # 80    coordinates: [  0.375000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 39.098300  reciprocal_lattice: # without 2pi  - [     0.095821043545878,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.095821043545878,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.095821043545878 ] # c*unit_cell:  lattice:  - [    10.436120949999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.436120949999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.436120949999999 ] # c  points:  - symbol: N  # 1    coordinates: [  0.546392870000000,  0.546392870000000,  0.546392870000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.796392870000000,  0.703607130000000,  0.296392870000000 ]    mass: 14.006700    reduced_to: 2  - symbol: N  # 3    coordinates: [  0.703607130000000,  0.296392870000000,  0.796392870000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 4    coordinates: [  0.296392870000000,  0.796392870000000,  0.703607130000000 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 5    coordinates: [  0.046392870000000,  0.953607130000000,  0.453607130000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 6    coordinates: [  0.953607130000000,  0.453607130000000,  0.046392870000000 ]    mass: 14.006700    reduced_to: 6  - symbol: N  # 7    coordinates: [  0.453607130000000,  0.046392870000000,  0.953607130000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 8    coordinates: [  0.203607130000000,  0.203607130000000,  0.203607130000000 ]    mass: 14.006700    reduced_to: 8  - symbol: N  # 9    coordinates: [  0.625000000000000,  0.302328030000000,  0.552328030000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 10    coordinates: [  0.697671970000000,  0.052328030000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 10  - symbol: N  # 11    coordinates: [  0.552328030000000,  0.625000000000000,  0.302328030000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 12    coordinates: [  0.947671970000000,  0.375000000000000,  0.802328030000000 ]    mass: 14.006700    reduced_to: 12  - symbol: N  # 13    coordinates: [  0.302328030000000,  0.552328030000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 14    coordinates: [  0.447671970000000,  0.125000000000000,  0.197671970000000 ]    mass: 14.006700    reduced_to: 14  - symbol: N  # 15    coordinates: [  0.052328030000000,  0.875000000000000,  0.697671970000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 16    coordinates: [  0.802328030000000,  0.947671970000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 16  - symbol: N  # 17    coordinates: [  0.197671970000000,  0.447671970000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 18    coordinates: [  0.875000000000000,  0.697671970000000,  0.052328030000000 ]    mass: 14.006700    reduced_to: 18  - symbol: N  # 19    coordinates: [  0.375000000000000,  0.802328030000000,  0.947671970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 20    coordinates: [  0.278882290000000,  0.013490520000000,  0.354894630000000 ]    mass: 14.006700    reduced_to: 20  - symbol: N  # 21    coordinates: [  0.125000000000000,  0.197671970000000,  0.447671970000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 22    coordinates: [  0.236509480000000,  0.028882290000000,  0.604894630000000 ]    mass: 14.006700    reduced_to: 22  - symbol: N  # 23    coordinates: [  0.471117710000000,  0.395105370000000,  0.736509480000000 ]    mass: 14.006700    reduced_to: 23  - symbol: N  # 24    coordinates: [  0.528882290000000,  0.895105370000000,  0.763490520000000 ]    mass: 14.006700    reduced_to: 24  - symbol: N  # 25    coordinates: [  0.395105370000000,  0.736509480000000,  0.471117710000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 26    coordinates: [  0.104894630000000,  0.263490520000000,  0.971117710000000 ]    mass: 14.006700    reduced_to: 26  - symbol: N  # 27    coordinates: [  0.486509480000000,  0.645105370000000,  0.778882290000000 ]    mass: 14.006700    reduced_to: 27  - symbol: N  # 28    coordinates: [  0.986509480000000,  0.854894630000000,  0.221117710000000 ]    mass: 14.006700    reduced_to: 28  - symbol: N  # 29    coordinates: [  0.513490520000000,  0.145105370000000,  0.721117710000000 ]    mass: 14.006700    reduced_to: 29  - symbol: N  # 30    coordinates: [  0.854894630000000,  0.221117710000000,  0.986509480000000 ]    mass: 14.006700    reduced_to: 30  - symbol: N  # 31    coordinates: [  0.721117710000000,  0.513490520000000,  0.145105370000000 ]    mass: 14.006700    reduced_to: 31  - symbol: N  # 32    coordinates: [  0.221117710000000,  0.986509480000000,  0.854894630000000 ]    mass: 14.006700    reduced_to: 32  - symbol: N  # 33    coordinates: [  0.645105370000000,  0.778882290000000,  0.486509480000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 34    coordinates: [  0.778882290000000,  0.486509480000000,  0.645105370000000 ]    mass: 14.006700    reduced_to: 34  - symbol: N  # 35    coordinates: [  0.145105370000000,  0.721117710000000,  0.513490520000000 ]    mass: 14.006700    reduced_to: 35  - symbol: N  # 36    coordinates: [  0.354894630000000,  0.278882290000000,  0.013490520000000 ]    mass: 14.006700    reduced_to: 36  - symbol: N  # 37    coordinates: [  0.013490520000000,  0.354894630000000,  0.278882290000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 38    coordinates: [  0.263490520000000,  0.971117710000000,  0.104894630000000 ]    mass: 14.006700    reduced_to: 38  - symbol: N  # 39    coordinates: [  0.763490520000000,  0.528882290000000,  0.895105370000000 ]    mass: 14.006700    reduced_to: 39  - symbol: N  # 40    coordinates: [  0.028882290000000,  0.604894630000000,  0.236509480000000 ]    mass: 14.006700    reduced_to: 40  - symbol: N  # 41    coordinates: [  0.971117710000000,  0.104894630000000,  0.263490520000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 42    coordinates: [  0.895105370000000,  0.763490520000000,  0.528882290000000 ]    mass: 14.006700    reduced_to: 42  - symbol: N  # 43    coordinates: [  0.604894630000000,  0.236509480000000,  0.028882290000000 ]    mass: 14.006700    reduced_to: 43  - symbol: N  # 44    coordinates: [  0.736509480000000,  0.471117710000000,  0.395105370000000 ]    mass: 14.006700    reduced_to: 44  - symbol: P  # 45    coordinates: [  0.677704120000000,  0.448496830000000,  0.534074520000000 ]    mass: 30.973762    reduced_to: 45  - symbol: P  # 46    coordinates: [  0.177704120000000,  0.051503170000000,  0.465925480000000 ]    mass: 30.973762    reduced_to: 46  - symbol: P  # 47    coordinates: [  0.448496830000000,  0.534074520000000,  0.677704120000000 ]    mass: 30.973762    reduced_to: 47  - symbol: P  # 48    coordinates: [  0.551503170000000,  0.034074520000000,  0.822295880000000 ]    mass: 30.973762    reduced_to: 48  - symbol: P  # 49    coordinates: [  0.534074520000000,  0.677704120000000,  0.448496830000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 50    coordinates: [  0.965925480000000,  0.322295880000000,  0.948496830000000 ]    mass: 30.973762    reduced_to: 50  - symbol: P  # 51    coordinates: [  0.427704120000000,  0.784074520000000,  0.801503170000000 ]    mass: 30.973762    reduced_to: 51  - symbol: P  # 52    coordinates: [  0.927704120000000,  0.715925480000000,  0.198496830000000 ]    mass: 30.973762    reduced_to: 52  - symbol: P  # 53    coordinates: [  0.572295880000000,  0.284074520000000,  0.698496830000000 ]    mass: 30.973762    reduced_to: 53  - symbol: P  # 54    coordinates: [  0.715925480000000,  0.198496830000000,  0.927704120000000 ]    mass: 30.973762    reduced_to: 54  - symbol: P  # 55    coordinates: [  0.698496830000000,  0.572295880000000,  0.284074520000000 ]    mass: 30.973762    reduced_to: 55  - symbol: P  # 56    coordinates: [  0.198496830000000,  0.927704120000000,  0.715925480000000 ]    mass: 30.973762    reduced_to: 56  - symbol: P  # 57    coordinates: [  0.784074520000000,  0.801503170000000,  0.427704120000000 ]    mass: 30.973762    reduced_to: 57  - symbol: P  # 58    coordinates: [  0.801503170000000,  0.427704120000000,  0.784074520000000 ]    mass: 30.973762    reduced_to: 58  - symbol: P  # 59    coordinates: [  0.284074520000000,  0.698496830000000,  0.572295880000000 ]    mass: 30.973762    reduced_to: 59  - symbol: P  # 60    coordinates: [  0.215925480000000,  0.301503170000000,  0.072295880000000 ]    mass: 30.973762    reduced_to: 60  - symbol: P  # 61    coordinates: [  0.301503170000000,  0.072295880000000,  0.215925480000000 ]    mass: 30.973762    reduced_to: 61  - symbol: P  # 62    coordinates: [  0.465925480000000,  0.177704120000000,  0.051503170000000 ]    mass: 30.973762    reduced_to: 62  - symbol: P  # 63    coordinates: [  0.034074520000000,  0.822295880000000,  0.551503170000000 ]    mass: 30.973762    reduced_to: 63  - symbol: P  # 64    coordinates: [  0.948496830000000,  0.965925480000000,  0.322295880000000 ]    mass: 30.973762    reduced_to: 64  - symbol: P  # 65    coordinates: [  0.051503170000000,  0.465925480000000,  0.177704120000000 ]    mass: 30.973762    reduced_to: 65  - symbol: P  # 66    coordinates: [  0.822295880000000,  0.551503170000000,  0.034074520000000 ]    mass: 30.973762    reduced_to: 66  - symbol: P  # 67    coordinates: [  0.322295880000000,  0.948496830000000,  0.965925480000000 ]    mass: 30.973762    reduced_to: 67  - symbol: P  # 68    coordinates: [  0.072295880000000,  0.215925480000000,  0.301503170000000 ]    mass: 30.973762    reduced_to: 68  - symbol: K  # 69    coordinates: [  0.000384270000000,  0.000384270000000,  0.000384270000000 ]    mass: 39.098300    reduced_to: 69  - symbol: K  # 70    coordinates: [  0.250384270000000,  0.249615730000000,  0.750384270000000 ]    mass: 39.098300    reduced_to: 70  - symbol: K  # 71    coordinates: [  0.249615730000000,  0.750384270000000,  0.250384270000000 ]    mass: 39.098300    reduced_to: 71  - symbol: K  # 72    coordinates: [  0.750384270000000,  0.250384270000000,  0.249615730000000 ]    mass: 39.098300    reduced_to: 72  - symbol: K  # 73    coordinates: [  0.500384270000000,  0.499615730000000,  0.999615730000000 ]    mass: 39.098300    reduced_to: 73  - symbol: K  # 74    coordinates: [  0.499615730000000,  0.999615730000000,  0.500384270000000 ]    mass: 39.098300    reduced_to: 74  - symbol: K  # 75    coordinates: [  0.999615730000000,  0.500384270000000,  0.499615730000000 ]    mass: 39.098300    reduced_to: 75  - symbol: K  # 76    coordinates: [  0.749615730000000,  0.749615730000000,  0.749615730000000 ]    mass: 39.098300    reduced_to: 76  - symbol: K  # 77    coordinates: [  0.875000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 77  - symbol: K  # 78    coordinates: [  0.125000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 78  - symbol: K  # 79    coordinates: [  0.625000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 79  - symbol: K  # 80    coordinates: [  0.375000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 80supercell:  lattice:  - [    10.436120949999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.436120949999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.436120949999999 ] # c  points:  - symbol: N  # 1    coordinates: [  0.546392870000000,  0.546392870000000,  0.546392870000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.796392870000000,  0.703607130000000,  0.296392870000000 ]    mass: 14.006700    reduced_to: 2  - symbol: N  # 3    coordinates: [  0.703607130000000,  0.296392870000000,  0.796392870000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 4    coordinates: [  0.296392870000000,  0.796392870000000,  0.703607130000000 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 5    coordinates: [  0.046392870000000,  0.953607130000000,  0.453607130000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 6    coordinates: [  0.953607130000000,  0.453607130000000,  0.046392870000000 ]    mass: 14.006700    reduced_to: 6  - symbol: N  # 7    coordinates: [  0.453607130000000,  0.046392870000000,  0.953607130000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 8    coordinates: [  0.203607130000000,  0.203607130000000,  0.203607130000000 ]    mass: 14.006700    reduced_to: 8  - symbol: N  # 9    coordinates: [  0.625000000000000,  0.302328030000000,  0.552328030000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 10    coordinates: [  0.697671970000000,  0.052328030000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 10  - symbol: N  # 11    coordinates: [  0.552328030000000,  0.625000000000000,  0.302328030000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 12    coordinates: [  0.947671970000000,  0.375000000000000,  0.802328030000000 ]    mass: 14.006700    reduced_to: 12  - symbol: N  # 13    coordinates: [  0.302328030000000,  0.552328030000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 14    coordinates: [  0.447671970000000,  0.125000000000000,  0.197671970000000 ]    mass: 14.006700    reduced_to: 14  - symbol: N  # 15    coordinates: [  0.052328030000000,  0.875000000000000,  0.697671970000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 16    coordinates: [  0.802328030000000,  0.947671970000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 16  - symbol: N  # 17    coordinates: [  0.197671970000000,  0.447671970000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 18    coordinates: [  0.875000000000000,  0.697671970000000,  0.052328030000000 ]    mass: 14.006700    reduced_to: 18  - symbol: N  # 19    coordinates: [  0.375000000000000,  0.802328030000000,  0.947671970000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 20    coordinates: [  0.278882290000000,  0.013490520000000,  0.354894630000000 ]    mass: 14.006700    reduced_to: 20  - symbol: N  # 21    coordinates: [  0.125000000000000,  0.197671970000000,  0.447671970000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 22    coordinates: [  0.236509480000000,  0.028882290000000,  0.604894630000000 ]    mass: 14.006700    reduced_to: 22  - symbol: N  # 23    coordinates: [  0.471117710000000,  0.395105370000000,  0.736509480000000 ]    mass: 14.006700    reduced_to: 23  - symbol: N  # 24    coordinates: [  0.528882290000000,  0.895105370000000,  0.763490520000000 ]    mass: 14.006700    reduced_to: 24  - symbol: N  # 25    coordinates: [  0.395105370000000,  0.736509480000000,  0.471117710000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 26    coordinates: [  0.104894630000000,  0.263490520000000,  0.971117710000000 ]    mass: 14.006700    reduced_to: 26  - symbol: N  # 27    coordinates: [  0.486509480000000,  0.645105370000000,  0.778882290000000 ]    mass: 14.006700    reduced_to: 27  - symbol: N  # 28    coordinates: [  0.986509480000000,  0.854894630000000,  0.221117710000000 ]    mass: 14.006700    reduced_to: 28  - symbol: N  # 29    coordinates: [  0.513490520000000,  0.145105370000000,  0.721117710000000 ]    mass: 14.006700    reduced_to: 29  - symbol: N  # 30    coordinates: [  0.854894630000000,  0.221117710000000,  0.986509480000000 ]    mass: 14.006700    reduced_to: 30  - symbol: N  # 31    coordinates: [  0.721117710000000,  0.513490520000000,  0.145105370000000 ]    mass: 14.006700    reduced_to: 31  - symbol: N  # 32    coordinates: [  0.221117710000000,  0.986509480000000,  0.854894630000000 ]    mass: 14.006700    reduced_to: 32  - symbol: N  # 33    coordinates: [  0.645105370000000,  0.778882290000000,  0.486509480000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 34    coordinates: [  0.778882290000000,  0.486509480000000,  0.645105370000000 ]    mass: 14.006700    reduced_to: 34  - symbol: N  # 35    coordinates: [  0.145105370000000,  0.721117710000000,  0.513490520000000 ]    mass: 14.006700    reduced_to: 35  - symbol: N  # 36    coordinates: [  0.354894630000000,  0.278882290000000,  0.013490520000000 ]    mass: 14.006700    reduced_to: 36  - symbol: N  # 37    coordinates: [  0.013490520000000,  0.354894630000000,  0.278882290000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 38    coordinates: [  0.263490520000000,  0.971117710000000,  0.104894630000000 ]    mass: 14.006700    reduced_to: 38  - symbol: N  # 39    coordinates: [  0.763490520000000,  0.528882290000000,  0.895105370000000 ]    mass: 14.006700    reduced_to: 39  - symbol: N  # 40    coordinates: [  0.028882290000000,  0.604894630000000,  0.236509480000000 ]    mass: 14.006700    reduced_to: 40  - symbol: N  # 41    coordinates: [  0.971117710000000,  0.104894630000000,  0.263490520000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 42    coordinates: [  0.895105370000000,  0.763490520000000,  0.528882290000000 ]    mass: 14.006700    reduced_to: 42  - symbol: N  # 43    coordinates: [  0.604894630000000,  0.236509480000000,  0.028882290000000 ]    mass: 14.006700    reduced_to: 43  - symbol: N  # 44    coordinates: [  0.736509480000000,  0.471117710000000,  0.395105370000000 ]    mass: 14.006700    reduced_to: 44  - symbol: P  # 45    coordinates: [  0.677704120000000,  0.448496830000000,  0.534074520000000 ]    mass: 30.973762    reduced_to: 45  - symbol: P  # 46    coordinates: [  0.177704120000000,  0.051503170000000,  0.465925480000000 ]    mass: 30.973762    reduced_to: 46  - symbol: P  # 47    coordinates: [  0.448496830000000,  0.534074520000000,  0.677704120000000 ]    mass: 30.973762    reduced_to: 47  - symbol: P  # 48    coordinates: [  0.551503170000000,  0.034074520000000,  0.822295880000000 ]    mass: 30.973762    reduced_to: 48  - symbol: P  # 49    coordinates: [  0.534074520000000,  0.677704120000000,  0.448496830000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 50    coordinates: [  0.965925480000000,  0.322295880000000,  0.948496830000000 ]    mass: 30.973762    reduced_to: 50  - symbol: P  # 51    coordinates: [  0.427704120000000,  0.784074520000000,  0.801503170000000 ]    mass: 30.973762    reduced_to: 51  - symbol: P  # 52    coordinates: [  0.927704120000000,  0.715925480000000,  0.198496830000000 ]    mass: 30.973762    reduced_to: 52  - symbol: P  # 53    coordinates: [  0.572295880000000,  0.284074520000000,  0.698496830000000 ]    mass: 30.973762    reduced_to: 53  - symbol: P  # 54    coordinates: [  0.715925480000000,  0.198496830000000,  0.927704120000000 ]    mass: 30.973762    reduced_to: 54  - symbol: P  # 55    coordinates: [  0.698496830000000,  0.572295880000000,  0.284074520000000 ]    mass: 30.973762    reduced_to: 55  - symbol: P  # 56    coordinates: [  0.198496830000000,  0.927704120000000,  0.715925480000000 ]    mass: 30.973762    reduced_to: 56  - symbol: P  # 57    coordinates: [  0.784074520000000,  0.801503170000000,  0.427704120000000 ]    mass: 30.973762    reduced_to: 57  - symbol: P  # 58    coordinates: [  0.801503170000000,  0.427704120000000,  0.784074520000000 ]    mass: 30.973762    reduced_to: 58  - symbol: P  # 59    coordinates: [  0.284074520000000,  0.698496830000000,  0.572295880000000 ]    mass: 30.973762    reduced_to: 59  - symbol: P  # 60    coordinates: [  0.215925480000000,  0.301503170000000,  0.072295880000000 ]    mass: 30.973762    reduced_to: 60  - symbol: P  # 61    coordinates: [  0.301503170000000,  0.072295880000000,  0.215925480000000 ]    mass: 30.973762    reduced_to: 61  - symbol: P  # 62    coordinates: [  0.465925480000000,  0.177704120000000,  0.051503170000000 ]    mass: 30.973762    reduced_to: 62  - symbol: P  # 63    coordinates: [  0.034074520000000,  0.822295880000000,  0.551503170000000 ]    mass: 30.973762    reduced_to: 63  - symbol: P  # 64    coordinates: [  0.948496830000000,  0.965925480000000,  0.322295880000000 ]    mass: 30.973762    reduced_to: 64  - symbol: P  # 65    coordinates: [  0.051503170000000,  0.465925480000000,  0.177704120000000 ]    mass: 30.973762    reduced_to: 65  - symbol: P  # 66    coordinates: [  0.822295880000000,  0.551503170000000,  0.034074520000000 ]    mass: 30.973762    reduced_to: 66  - symbol: P  # 67    coordinates: [  0.322295880000000,  0.948496830000000,  0.965925480000000 ]    mass: 30.973762    reduced_to: 67  - symbol: P  # 68    coordinates: [  0.072295880000000,  0.215925480000000,  0.301503170000000 ]    mass: 30.973762    reduced_to: 68  - symbol: K  # 69    coordinates: [  0.000384270000000,  0.000384270000000,  0.000384270000000 ]    mass: 39.098300    reduced_to: 69  - symbol: K  # 70    coordinates: [  0.250384270000000,  0.249615730000000,  0.750384270000000 ]    mass: 39.098300    reduced_to: 70  - symbol: K  # 71    coordinates: [  0.249615730000000,  0.750384270000000,  0.250384270000000 ]    mass: 39.098300    reduced_to: 71  - symbol: K  # 72    coordinates: [  0.750384270000000,  0.250384270000000,  0.249615730000000 ]    mass: 39.098300    reduced_to: 72  - symbol: K  # 73    coordinates: [  0.500384270000000,  0.499615730000000,  0.999615730000000 ]    mass: 39.098300    reduced_to: 73  - symbol: K  # 74    coordinates: [  0.499615730000000,  0.999615730000000,  0.500384270000000 ]    mass: 39.098300    reduced_to: 74  - symbol: K  # 75    coordinates: [  0.999615730000000,  0.500384270000000,  0.499615730000000 ]    mass: 39.098300    reduced_to: 75  - symbol: K  # 76    coordinates: [  0.749615730000000,  0.749615730000000,  0.749615730000000 ]    mass: 39.098300    reduced_to: 76  - symbol: K  # 77    coordinates: [  0.875000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 39.098300    reduced_to: 77  - symbol: K  # 78    coordinates: [  0.125000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 39.098300    reduced_to: 78  - symbol: K  # 79    coordinates: [  0.625000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 39.098300    reduced_to: 79  - symbol: K  # 80    coordinates: [  0.375000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 39.098300    reduced_to: 80displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.2740277700000000,  0.0920580600000000,  0.0876839400000000 ]  - [   0.0014250600000000,  0.0023778800000000, -0.0014431700000000 ]  - [  -0.0021424000000000, -0.0023777900000000,  0.0031572000000000 ]  - [   0.0014506000000000, -0.0062322900000000, -0.0031436800000000 ]  - [   0.0025709700000000, -0.0009983200000000,  0.0015350500000000 ]  - [   0.0016072600000000, -0.0000709000000000,  0.0010071100000000 ]  - [  -0.0011971500000000, -0.0015409900000000, -0.0000748300000000 ]  - [   0.0010065000000000, -0.0008003000000000,  0.0006488600000000 ]  - [  -0.0040376300000000, -0.0067837400000000,  0.0054943500000000 ]  - 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