# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b6c04a22-6f72-4798-a7e0-fb69205e0181/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 Rb3P6N11 / P4_132 (213) / materials id 16107](https://mdr.nims.go.jp/datasets/014a5f06-b3fb-4eb7-b94c-8789e6ae52c6)

## 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:  - [    10.538330220000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.538330220000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.538330220000001 ] # c  points:  - symbol: N  # 1    coordinates: [  0.050159710000000,  0.050159710000000,  0.050159710000000 ]    mass: 14.006700  - symbol: N  # 2    coordinates: [  0.300159710000000,  0.199840290000000,  0.800159710000000 ]    mass: 14.006700  - symbol: N  # 3    coordinates: [  0.199840290000000,  0.800159710000000,  0.300159710000000 ]    mass: 14.006700  - symbol: N  # 4    coordinates: [  0.800159710000000,  0.300159710000000,  0.199840290000000 ]    mass: 14.006700  - symbol: N  # 5    coordinates: [  0.550159710000000,  0.449840290000000,  0.949840290000000 ]    mass: 14.006700  - symbol: N  # 6    coordinates: [  0.449840290000000,  0.949840290000000,  0.550159710000000 ]    mass: 14.006700  - symbol: N  # 7    coordinates: [  0.949840290000000,  0.550159710000000,  0.449840290000000 ]    mass: 14.006700  - symbol: N  # 8    coordinates: [  0.699840290000000,  0.699840290000000,  0.699840290000000 ]    mass: 14.006700  - symbol: N  # 9    coordinates: [  0.125000000000000,  0.807690600000000,  0.057690600000000 ]    mass: 14.006700  - symbol: N  # 10    coordinates: [  0.192309400000000,  0.557690600000000,  0.375000000000000 ]    mass: 14.006700  - symbol: N  # 11    coordinates: [  0.057690600000000,  0.125000000000000,  0.807690600000000 ]    mass: 14.006700  - symbol: N  # 12    coordinates: [  0.442309400000000,  0.875000000000000,  0.307690600000000 ]    mass: 14.006700  - symbol: N  # 13    coordinates: [  0.807690600000000,  0.057690600000000,  0.125000000000000 ]    mass: 14.006700  - symbol: N  # 14    coordinates: [  0.942309400000000,  0.625000000000000,  0.692309400000000 ]    mass: 14.006700  - symbol: N  # 15    coordinates: [  0.557690600000000,  0.375000000000000,  0.192309400000000 ]    mass: 14.006700  - symbol: N  # 16    coordinates: [  0.307690600000000,  0.442309400000000,  0.875000000000000 ]    mass: 14.006700  - symbol: N  # 17    coordinates: [  0.692309400000000,  0.942309400000000,  0.625000000000000 ]    mass: 14.006700  - symbol: N  # 18    coordinates: [  0.375000000000000,  0.192309400000000,  0.557690600000000 ]    mass: 14.006700  - symbol: N  # 19    coordinates: [  0.875000000000000,  0.307690600000000,  0.442309400000000 ]    mass: 14.006700  - symbol: N  # 20    coordinates: [  0.776688870000000,  0.510979510000000,  0.846971400000000 ]    mass: 14.006700  - symbol: N  # 21    coordinates: [  0.625000000000000,  0.692309400000000,  0.942309400000000 ]    mass: 14.006700  - symbol: N  # 22    coordinates: [  0.739020490000000,  0.526688870000000,  0.096971400000000 ]    mass: 14.006700  - symbol: N  # 23    coordinates: [  0.973311130000000,  0.903028600000000,  0.239020490000000 ]    mass: 14.006700  - symbol: N  # 24    coordinates: [  0.026688870000000,  0.403028600000000,  0.260979510000000 ]    mass: 14.006700  - symbol: N  # 25    coordinates: [  0.903028600000000,  0.239020490000000,  0.973311130000000 ]    mass: 14.006700  - symbol: N  # 26    coordinates: [  0.596971400000000,  0.760979510000000,  0.473311130000000 ]    mass: 14.006700  - symbol: N  # 27    coordinates: [  0.989020490000000,  0.153028600000000,  0.276688870000000 ]    mass: 14.006700  - symbol: N  # 28    coordinates: [  0.489020490000000,  0.346971400000000,  0.723311130000000 ]    mass: 14.006700  - symbol: N  # 29    coordinates: [  0.010979510000000,  0.653028600000000,  0.223311130000000 ]    mass: 14.006700  - symbol: N  # 30    coordinates: [  0.346971400000000,  0.723311130000000,  0.489020490000000 ]    mass: 14.006700  - symbol: N  # 31    coordinates: [  0.223311130000000,  0.010979510000000,  0.653028600000000 ]    mass: 14.006700  - symbol: N  # 32    coordinates: [  0.723311130000000,  0.489020490000000,  0.346971400000000 ]    mass: 14.006700  - symbol: N  # 33    coordinates: [  0.153028600000000,  0.276688870000000,  0.989020490000000 ]    mass: 14.006700  - symbol: N  # 34    coordinates: [  0.276688870000000,  0.989020490000000,  0.153028600000000 ]    mass: 14.006700  - symbol: N  # 35    coordinates: [  0.653028600000000,  0.223311130000000,  0.010979510000000 ]    mass: 14.006700  - symbol: N  # 36    coordinates: [  0.846971400000000,  0.776688870000000,  0.510979510000000 ]    mass: 14.006700  - symbol: N  # 37    coordinates: [  0.510979510000000,  0.846971400000000,  0.776688870000000 ]    mass: 14.006700  - symbol: N  # 38    coordinates: [  0.760979510000000,  0.473311130000000,  0.596971400000000 ]    mass: 14.006700  - symbol: N  # 39    coordinates: [  0.260979510000000,  0.026688870000000,  0.403028600000000 ]    mass: 14.006700  - symbol: N  # 40    coordinates: [  0.526688870000000,  0.096971400000000,  0.739020490000000 ]    mass: 14.006700  - symbol: N  # 41    coordinates: [  0.473311130000000,  0.596971400000000,  0.760979510000000 ]    mass: 14.006700  - symbol: N  # 42    coordinates: [  0.403028600000000,  0.260979510000000,  0.026688870000000 ]    mass: 14.006700  - symbol: N  # 43    coordinates: [  0.096971400000000,  0.739020490000000,  0.526688870000000 ]    mass: 14.006700  - symbol: N  # 44    coordinates: [  0.239020490000000,  0.973311130000000,  0.903028600000000 ]    mass: 14.006700  - symbol: P  # 45    coordinates: [  0.179051700000000,  0.952125030000000,  0.040286150000000 ]    mass: 30.973762  - symbol: P  # 46    coordinates: [  0.679051700000000,  0.547874970000000,  0.959713850000000 ]    mass: 30.973762  - symbol: P  # 47    coordinates: [  0.952125030000000,  0.040286150000000,  0.179051700000000 ]    mass: 30.973762  - symbol: P  # 48    coordinates: [  0.047874970000000,  0.540286150000000,  0.320948300000000 ]    mass: 30.973762  - symbol: P  # 49    coordinates: [  0.040286150000000,  0.179051700000000,  0.952125030000000 ]    mass: 30.973762  - symbol: P  # 50    coordinates: [  0.459713850000000,  0.820948300000000,  0.452125030000000 ]    mass: 30.973762  - symbol: P  # 51    coordinates: [  0.929051700000000,  0.290286150000000,  0.297874970000000 ]    mass: 30.973762  - symbol: P  # 52    coordinates: [  0.429051700000000,  0.209713850000000,  0.702125030000000 ]    mass: 30.973762  - symbol: P  # 53    coordinates: [  0.070948300000000,  0.790286150000000,  0.202125030000000 ]    mass: 30.973762  - symbol: P  # 54    coordinates: [  0.209713850000000,  0.702125030000000,  0.429051700000000 ]    mass: 30.973762  - symbol: P  # 55    coordinates: [  0.202125030000000,  0.070948300000000,  0.790286150000000 ]    mass: 30.973762  - symbol: P  # 56    coordinates: [  0.702125030000000,  0.429051700000000,  0.209713850000000 ]    mass: 30.973762  - symbol: P  # 57    coordinates: [  0.290286150000000,  0.297874970000000,  0.929051700000000 ]    mass: 30.973762  - symbol: P  # 58    coordinates: [  0.297874970000000,  0.929051700000000,  0.290286150000000 ]    mass: 30.973762  - symbol: P  # 59    coordinates: [  0.790286150000000,  0.202125030000000,  0.070948300000000 ]    mass: 30.973762  - symbol: P  # 60    coordinates: [  0.709713850000000,  0.797874970000000,  0.570948300000000 ]    mass: 30.973762  - symbol: P  # 61    coordinates: [  0.797874970000000,  0.570948300000000,  0.709713850000000 ]    mass: 30.973762  - symbol: P  # 62    coordinates: [  0.959713850000000,  0.679051700000000,  0.547874970000000 ]    mass: 30.973762  - symbol: P  # 63    coordinates: [  0.540286150000000,  0.320948300000000,  0.047874970000000 ]    mass: 30.973762  - symbol: P  # 64    coordinates: [  0.452125030000000,  0.459713850000000,  0.820948300000000 ]    mass: 30.973762  - symbol: P  # 65    coordinates: [  0.547874970000000,  0.959713850000000,  0.679051700000000 ]    mass: 30.973762  - symbol: P  # 66    coordinates: [  0.320948300000000,  0.047874970000000,  0.540286150000000 ]    mass: 30.973762  - symbol: P  # 67    coordinates: [  0.820948300000000,  0.452125030000000,  0.459713850000000 ]    mass: 30.973762  - symbol: P  # 68    coordinates: [  0.570948300000000,  0.709713850000000,  0.797874970000000 ]    mass: 30.973762  - symbol: Rb # 69    coordinates: [  0.489867820000000,  0.489867820000000,  0.489867820000000 ]    mass: 85.467800  - symbol: Rb # 70    coordinates: [  0.739867820000000,  0.760132180000000,  0.239867820000000 ]    mass: 85.467800  - symbol: Rb # 71    coordinates: [  0.760132180000000,  0.239867820000000,  0.739867820000000 ]    mass: 85.467800  - symbol: Rb # 72    coordinates: [  0.239867820000000,  0.739867820000000,  0.760132180000000 ]    mass: 85.467800  - symbol: Rb # 73    coordinates: [  0.989867820000000,  0.010132180000000,  0.510132180000000 ]    mass: 85.467800  - symbol: Rb # 74    coordinates: [  0.010132180000000,  0.510132180000000,  0.989867820000000 ]    mass: 85.467800  - symbol: Rb # 75    coordinates: [  0.510132180000000,  0.989867820000000,  0.010132180000000 ]    mass: 85.467800  - symbol: Rb # 76    coordinates: [  0.260132180000000,  0.260132180000000,  0.260132180000000 ]    mass: 85.467800  - symbol: Rb # 77    coordinates: [  0.375000000000000,  0.625000000000000,  0.125000000000000 ]    mass: 85.467800  - symbol: Rb # 78    coordinates: [  0.625000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 85.467800  - symbol: Rb # 79    coordinates: [  0.125000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 85.467800  - symbol: Rb # 80    coordinates: [  0.875000000000000,  0.875000000000000,  0.875000000000000 ]    mass: 85.467800  reciprocal_lattice: # without 2pi  - [     0.094891693382521,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.094891693382521,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.094891693382521 ] # c*unit_cell:  lattice:  - [    10.538330220000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.538330220000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.538330220000001 ] # c  points:  - symbol: N  # 1    coordinates: [  0.050159710000000,  0.050159710000000,  0.050159710000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.300159710000000,  0.199840290000000,  0.800159710000000 ]    mass: 14.006700    reduced_to: 2  - symbol: N  # 3    coordinates: [  0.199840290000000,  0.800159710000000,  0.300159710000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 4    coordinates: [  0.800159710000000,  0.300159710000000,  0.199840290000000 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 5    coordinates: [  0.550159710000000,  0.449840290000000,  0.949840290000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 6    coordinates: [  0.449840290000000,  0.949840290000000,  0.550159710000000 ]    mass: 14.006700    reduced_to: 6  - symbol: N  # 7    coordinates: [  0.949840290000000,  0.550159710000000,  0.449840290000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 8    coordinates: [  0.699840290000000,  0.699840290000000,  0.699840290000000 ]    mass: 14.006700    reduced_to: 8  - symbol: N  # 9    coordinates: [  0.125000000000000,  0.807690600000000,  0.057690600000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 10    coordinates: [  0.192309400000000,  0.557690600000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 10  - symbol: N  # 11    coordinates: [  0.057690600000000,  0.125000000000000,  0.807690600000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 12    coordinates: [  0.442309400000000,  0.875000000000000,  0.307690600000000 ]    mass: 14.006700    reduced_to: 12  - symbol: N  # 13    coordinates: [  0.807690600000000,  0.057690600000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 14    coordinates: [  0.942309400000000,  0.625000000000000,  0.692309400000000 ]    mass: 14.006700    reduced_to: 14  - symbol: N  # 15    coordinates: [  0.557690600000000,  0.375000000000000,  0.192309400000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 16    coordinates: [  0.307690600000000,  0.442309400000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 16  - symbol: N  # 17    coordinates: [  0.692309400000000,  0.942309400000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 18    coordinates: [  0.375000000000000,  0.192309400000000,  0.557690600000000 ]    mass: 14.006700    reduced_to: 18  - symbol: N  # 19    coordinates: [  0.875000000000000,  0.307690600000000,  0.442309400000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 20    coordinates: [  0.776688870000000,  0.510979510000000,  0.846971400000000 ]    mass: 14.006700    reduced_to: 20  - symbol: N  # 21    coordinates: [  0.625000000000000,  0.692309400000000,  0.942309400000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 22    coordinates: [  0.739020490000000,  0.526688870000000,  0.096971400000000 ]    mass: 14.006700    reduced_to: 22  - symbol: N  # 23    coordinates: [  0.973311130000000,  0.903028600000000,  0.239020490000000 ]    mass: 14.006700    reduced_to: 23  - symbol: N  # 24    coordinates: [  0.026688870000000,  0.403028600000000,  0.260979510000000 ]    mass: 14.006700    reduced_to: 24  - symbol: N  # 25    coordinates: [  0.903028600000000,  0.239020490000000,  0.973311130000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 26    coordinates: [  0.596971400000000,  0.760979510000000,  0.473311130000000 ]    mass: 14.006700    reduced_to: 26  - symbol: N  # 27    coordinates: [  0.989020490000000,  0.153028600000000,  0.276688870000000 ]    mass: 14.006700    reduced_to: 27  - symbol: N  # 28    coordinates: [  0.489020490000000,  0.346971400000000,  0.723311130000000 ]    mass: 14.006700    reduced_to: 28  - symbol: N  # 29    coordinates: [  0.010979510000000,  0.653028600000000,  0.223311130000000 ]    mass: 14.006700    reduced_to: 29  - symbol: N  # 30    coordinates: [  0.346971400000000,  0.723311130000000,  0.489020490000000 ]    mass: 14.006700    reduced_to: 30  - symbol: N  # 31    coordinates: [  0.223311130000000,  0.010979510000000,  0.653028600000000 ]    mass: 14.006700    reduced_to: 31  - symbol: N  # 32    coordinates: [  0.723311130000000,  0.489020490000000,  0.346971400000000 ]    mass: 14.006700    reduced_to: 32  - symbol: N  # 33    coordinates: [  0.153028600000000,  0.276688870000000,  0.989020490000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 34    coordinates: [  0.276688870000000,  0.989020490000000,  0.153028600000000 ]    mass: 14.006700    reduced_to: 34  - symbol: N  # 35    coordinates: [  0.653028600000000,  0.223311130000000,  0.010979510000000 ]    mass: 14.006700    reduced_to: 35  - symbol: N  # 36    coordinates: [  0.846971400000000,  0.776688870000000,  0.510979510000000 ]    mass: 14.006700    reduced_to: 36  - symbol: N  # 37    coordinates: [  0.510979510000000,  0.846971400000000,  0.776688870000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 38    coordinates: [  0.760979510000000,  0.473311130000000,  0.596971400000000 ]    mass: 14.006700    reduced_to: 38  - symbol: N  # 39    coordinates: [  0.260979510000000,  0.026688870000000,  0.403028600000000 ]    mass: 14.006700    reduced_to: 39  - symbol: N  # 40    coordinates: [  0.526688870000000,  0.096971400000000,  0.739020490000000 ]    mass: 14.006700    reduced_to: 40  - symbol: N  # 41    coordinates: [  0.473311130000000,  0.596971400000000,  0.760979510000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 42    coordinates: [  0.403028600000000,  0.260979510000000,  0.026688870000000 ]    mass: 14.006700    reduced_to: 42  - symbol: N  # 43    coordinates: [  0.096971400000000,  0.739020490000000,  0.526688870000000 ]    mass: 14.006700    reduced_to: 43  - symbol: N  # 44    coordinates: [  0.239020490000000,  0.973311130000000,  0.903028600000000 ]    mass: 14.006700    reduced_to: 44  - symbol: P  # 45    coordinates: [  0.179051700000000,  0.952125030000000,  0.040286150000000 ]    mass: 30.973762    reduced_to: 45  - symbol: P  # 46    coordinates: [  0.679051700000000,  0.547874970000000,  0.959713850000000 ]    mass: 30.973762    reduced_to: 46  - symbol: P  # 47    coordinates: [  0.952125030000000,  0.040286150000000,  0.179051700000000 ]    mass: 30.973762    reduced_to: 47  - symbol: P  # 48    coordinates: [  0.047874970000000,  0.540286150000000,  0.320948300000000 ]    mass: 30.973762    reduced_to: 48  - symbol: P  # 49    coordinates: [  0.040286150000000,  0.179051700000000,  0.952125030000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 50    coordinates: [  0.459713850000000,  0.820948300000000,  0.452125030000000 ]    mass: 30.973762    reduced_to: 50  - symbol: P  # 51    coordinates: [  0.929051700000000,  0.290286150000000,  0.297874970000000 ]    mass: 30.973762    reduced_to: 51  - symbol: P  # 52    coordinates: [  0.429051700000000,  0.209713850000000,  0.702125030000000 ]    mass: 30.973762    reduced_to: 52  - symbol: P  # 53    coordinates: [  0.070948300000000,  0.790286150000000,  0.202125030000000 ]    mass: 30.973762    reduced_to: 53  - symbol: P  # 54    coordinates: [  0.209713850000000,  0.702125030000000,  0.429051700000000 ]    mass: 30.973762    reduced_to: 54  - symbol: P  # 55    coordinates: [  0.202125030000000,  0.070948300000000,  0.790286150000000 ]    mass: 30.973762    reduced_to: 55  - symbol: P  # 56    coordinates: [  0.702125030000000,  0.429051700000000,  0.209713850000000 ]    mass: 30.973762    reduced_to: 56  - 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symbol: P  # 65    coordinates: [  0.547874970000000,  0.959713850000000,  0.679051700000000 ]    mass: 30.973762    reduced_to: 65  - symbol: P  # 66    coordinates: [  0.320948300000000,  0.047874970000000,  0.540286150000000 ]    mass: 30.973762    reduced_to: 66  - symbol: P  # 67    coordinates: [  0.820948300000000,  0.452125030000000,  0.459713850000000 ]    mass: 30.973762    reduced_to: 67  - symbol: P  # 68    coordinates: [  0.570948300000000,  0.709713850000000,  0.797874970000000 ]    mass: 30.973762    reduced_to: 68  - symbol: Rb # 69    coordinates: [  0.489867820000000,  0.489867820000000,  0.489867820000000 ]    mass: 85.467800    reduced_to: 69  - symbol: Rb # 70    coordinates: [  0.739867820000000,  0.760132180000000,  0.239867820000000 ]    mass: 85.467800    reduced_to: 70  - symbol: Rb # 71    coordinates: [  0.760132180000000,  0.239867820000000,  0.739867820000000 ]    mass: 85.467800    reduced_to: 71  - symbol: Rb # 72    coordinates: [  0.239867820000000,  0.739867820000000,  0.760132180000000 ]    mass: 85.467800    reduced_to: 72  - 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