# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/862d9567-7f8e-40b8-81c8-afd05473261d/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 RbEr3F10 / P6_3mc (186) / materials id 555932](https://mdr.nims.go.jp/datasets/04790fbe-545d-455a-aee8-8a434cbfdc74)

## 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: "P6_3mc"  number: 186  Hall_symbol: "P 6c -2c"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     8.074123830000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.037061910000000,     6.992396350000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.187469490000000 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.259024840000000 ]    mass: 85.467800  - symbol: Rb # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.496996370000000 ]    mass: 85.467800  - symbol: Rb # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.759024840000000 ]    mass: 85.467800  - symbol: Rb # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.996996370000000 ]    mass: 85.467800  - symbol: Er # 5    coordinates: [  0.505943790000000,  0.011887580000000,  0.513168470000000 ]    mass: 167.259000  - symbol: Er # 6    coordinates: [  0.494056210000000,  0.988112420000000,  0.013168470000000 ]    mass: 167.259000  - symbol: Er # 7    coordinates: [  0.494056210000000,  0.505943790000000,  0.013168470000000 ]    mass: 167.259000  - symbol: Er # 8    coordinates: [  0.174557210000000,  0.825442790000000,  0.252373150000000 ]    mass: 167.259000  - symbol: Er # 9    coordinates: [  0.011887580000000,  0.505943790000000,  0.013168470000000 ]    mass: 167.259000  - symbol: Er # 10    coordinates: [  0.825442790000000,  0.174557210000000,  0.752373150000000 ]    mass: 167.259000  - symbol: Er # 11    coordinates: [  0.349114430000000,  0.174557210000000,  0.752373150000000 ]    mass: 167.259000  - symbol: Er # 12    coordinates: [  0.174557210000000,  0.349114430000000,  0.252373150000000 ]    mass: 167.259000  - symbol: Er # 13    coordinates: [  0.988112420000000,  0.494056210000000,  0.513168470000000 ]    mass: 167.259000  - symbol: Er # 14    coordinates: [  0.505943790000000,  0.494056210000000,  0.513168470000000 ]    mass: 167.259000  - symbol: Er # 15    coordinates: [  0.650885570000000,  0.825442790000000,  0.252373150000000 ]    mass: 167.259000  - symbol: Er # 16    coordinates: [  0.825442790000000,  0.650885570000000,  0.752373150000000 ]    mass: 167.259000  - symbol: F  # 17    coordinates: [  0.777507180000000,  0.222492820000000,  0.049972180000000 ]    mass: 18.998403  - symbol: F  # 18    coordinates: [  0.110185500000000,  0.220370990000000,  0.721720810000000 ]    mass: 18.998403  - symbol: F  # 19    coordinates: [  0.339894620000000,  0.335098860000000,  0.882621720000000 ]    mass: 18.998403  - symbol: F  # 20    coordinates: [  0.664901140000000,  0.660105380000000,  0.882621720000000 ]    mass: 18.998403  - symbol: F  # 21    coordinates: [  0.959185270000000,  0.479592640000000,  0.687250190000000 ]    mass: 18.998403  - symbol: F  # 22    coordinates: [  0.222492820000000,  0.777507180000000,  0.549972180000000 ]    mass: 18.998403  - symbol: F  # 23    coordinates: [  0.333333330000000,  0.666666670000000,  0.300582100000000 ]    mass: 18.998403  - symbol: F  # 24    coordinates: [  0.004795770000000,  0.664901140000000,  0.382621720000000 ]    mass: 18.998403  - symbol: F  # 25    coordinates: [  0.333333330000000,  0.666666670000000,  0.969445360000000 ]    mass: 18.998403  - symbol: F  # 26    coordinates: [  0.660105380000000,  0.995204230000000,  0.382621720000000 ]    mass: 18.998403  - symbol: F  # 27    coordinates: [  0.004795770000000,  0.339894620000000,  0.382621720000000 ]    mass: 18.998403  - symbol: F  # 28    coordinates: [  0.520407360000000,  0.040814730000000,  0.687250190000000 ]    mass: 18.998403  - symbol: F  # 29    coordinates: [  0.777507180000000,  0.555014350000000,  0.049972180000000 ]    mass: 18.998403  - symbol: F  # 30    coordinates: [  0.995204230000000,  0.335098860000000,  0.882621720000000 ]    mass: 18.998403  - symbol: F  # 31    coordinates: [  0.815944540000000,  0.184055460000000,  0.576935530000000 ]    mass: 18.998403  - symbol: F  # 32    coordinates: [  0.222492820000000,  0.444985650000000,  0.549972180000000 ]    mass: 18.998403  - symbol: F  # 33    coordinates: [  0.779629010000000,  0.889814500000000,  0.721720810000000 ]    mass: 18.998403  - symbol: F  # 34    coordinates: [  0.664901140000000,  0.004795770000000,  0.882621720000000 ]    mass: 18.998403  - symbol: F  # 35    coordinates: [  0.555014350000000,  0.777507180000000,  0.549972180000000 ]    mass: 18.998403  - symbol: F  # 36    coordinates: [  0.110185500000000,  0.889814500000000,  0.721720810000000 ]    mass: 18.998403  - symbol: F  # 37    coordinates: [  0.184055460000000,  0.815944540000000,  0.076935530000000 ]    mass: 18.998403  - symbol: F  # 38    coordinates: [  0.889814500000000,  0.779629010000000,  0.221720810000000 ]    mass: 18.998403  - symbol: F  # 39    coordinates: [  0.520407360000000,  0.479592640000000,  0.687250190000000 ]    mass: 18.998403  - symbol: F  # 40    coordinates: [  0.220370990000000,  0.110185500000000,  0.221720810000000 ]    mass: 18.998403  - symbol: F  # 41    coordinates: [  0.184055460000000,  0.368110930000000,  0.076935530000000 ]    mass: 18.998403  - symbol: F  # 42    coordinates: [  0.335098860000000,  0.339894620000000,  0.382621720000000 ]    mass: 18.998403  - symbol: F  # 43    coordinates: [  0.444985650000000,  0.222492820000000,  0.049972180000000 ]    mass: 18.998403  - symbol: F  # 44    coordinates: [  0.660105380000000,  0.664901140000000,  0.382621720000000 ]    mass: 18.998403  - symbol: F  # 45    coordinates: [  0.479592640000000,  0.520407360000000,  0.187250190000000 ]    mass: 18.998403  - symbol: F  # 46    coordinates: [  0.040814730000000,  0.520407360000000,  0.187250190000000 ]    mass: 18.998403  - symbol: F  # 47    coordinates: [  0.335098860000000,  0.995204230000000,  0.382621720000000 ]    mass: 18.998403  - symbol: F  # 48    coordinates: [  0.815944540000000,  0.631889070000000,  0.576935530000000 ]    mass: 18.998403  - symbol: F  # 49    coordinates: [  0.666666670000000,  0.333333330000000,  0.469445360000000 ]    mass: 18.998403  - symbol: F  # 50    coordinates: [  0.339894620000000,  0.004795770000000,  0.882621720000000 ]    mass: 18.998403  - symbol: F  # 51    coordinates: [  0.995204230000000,  0.660105380000000,  0.882621720000000 ]    mass: 18.998403  - symbol: F  # 52    coordinates: [  0.368110930000000,  0.184055460000000,  0.576935530000000 ]    mass: 18.998403  - symbol: F  # 53    coordinates: [  0.666666670000000,  0.333333330000000,  0.800582100000000 ]    mass: 18.998403  - symbol: F  # 54    coordinates: [  0.889814500000000,  0.110185500000000,  0.221720810000000 ]    mass: 18.998403  - symbol: F  # 55    coordinates: [  0.631889070000000,  0.815944540000000,  0.076935530000000 ]    mass: 18.998403  - symbol: F  # 56    coordinates: [  0.479592640000000,  0.959185270000000,  0.187250190000000 ]    mass: 18.998403  reciprocal_lattice: # without 2pi  - [     0.123852447776987,     0.071506243976107,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.143012488129338,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.075829559322074 ] # c*unit_cell:  lattice:  - [     8.074123830000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.037061910000000,     6.992396350000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.187469490000000 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.259024840000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.496996370000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.759024840000000 ]    mass: 85.467800    reduced_to: 3  - symbol: Rb # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.996996370000000 ]    mass: 85.467800    reduced_to: 4  - symbol: Er # 5    coordinates: [  0.505943790000000,  0.011887580000000,  0.513168470000000 ]    mass: 167.259000    reduced_to: 5  - symbol: Er # 6    coordinates: [  0.494056210000000,  0.988112420000000,  0.013168470000000 ]    mass: 167.259000    reduced_to: 6  - symbol: Er # 7    coordinates: [  0.494056210000000,  0.505943790000000,  0.013168470000000 ]    mass: 167.259000    reduced_to: 7  - symbol: Er # 8    coordinates: [  0.174557210000000,  0.825442790000000,  0.252373150000000 ]    mass: 167.259000    reduced_to: 8  - symbol: Er # 9    coordinates: [  0.011887580000000,  0.505943790000000,  0.013168470000000 ]    mass: 167.259000    reduced_to: 9  - symbol: Er # 10    coordinates: [  0.825442790000000,  0.174557210000000,  0.752373150000000 ]    mass: 167.259000    reduced_to: 10  - symbol: Er # 11    coordinates: [  0.349114430000000,  0.174557210000000,  0.752373150000000 ]    mass: 167.259000    reduced_to: 11  - symbol: Er # 12    coordinates: [  0.174557210000000,  0.349114430000000,  0.252373150000000 ]    mass: 167.259000    reduced_to: 12  - symbol: Er # 13    coordinates: [  0.988112420000000,  0.494056210000000,  0.513168470000000 ]    mass: 167.259000    reduced_to: 13  - symbol: Er # 14    coordinates: [  0.505943790000000,  0.494056210000000,  0.513168470000000 ]    mass: 167.259000    reduced_to: 14  - symbol: Er # 15    coordinates: [  0.650885570000000,  0.825442790000000,  0.252373150000000 ]    mass: 167.259000    reduced_to: 15  - symbol: Er # 16    coordinates: [  0.825442790000000,  0.650885570000000,  0.752373150000000 ]    mass: 167.259000    reduced_to: 16  - symbol: F  # 17    coordinates: [  0.777507180000000,  0.222492820000000,  0.049972180000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.110185500000000,  0.220370990000000,  0.721720810000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 19    coordinates: [  0.339894620000000,  0.335098860000000,  0.882621720000000 ]    mass: 18.998403    reduced_to: 19  - symbol: F  # 20    coordinates: [  0.664901140000000,  0.660105380000000,  0.882621720000000 ]    mass: 18.998403    reduced_to: 20  - symbol: F  # 21    coordinates: [  0.959185270000000,  0.479592640000000,  0.687250190000000 ]    mass: 18.998403    reduced_to: 21  - symbol: F  # 22    coordinates: [  0.222492820000000,  0.777507180000000,  0.549972180000000 ]    mass: 18.998403    reduced_to: 22  - symbol: F  # 23    coordinates: [  0.333333330000000,  0.666666670000000,  0.300582100000000 ]    mass: 18.998403    reduced_to: 23  - symbol: F  # 24    coordinates: [  0.004795770000000,  0.664901140000000,  0.382621720000000 ]    mass: 18.998403    reduced_to: 24  - symbol: F  # 25    coordinates: [  0.333333330000000,  0.666666670000000,  0.969445360000000 ]    mass: 18.998403    reduced_to: 25  - symbol: F  # 26    coordinates: [  0.660105380000000,  0.995204230000000,  0.382621720000000 ]    mass: 18.998403    reduced_to: 26  - symbol: F  # 27    coordinates: [  0.004795770000000,  0.339894620000000,  0.382621720000000 ]    mass: 18.998403    reduced_to: 27  - symbol: F  # 28    coordinates: [  0.520407360000000,  0.040814730000000,  0.687250190000000 ]    mass: 18.998403    reduced_to: 28  - symbol: F  # 29    coordinates: [  0.777507180000000,  0.555014350000000,  0.049972180000000 ]    mass: 18.998403    reduced_to: 29  - symbol: F  # 30    coordinates: [  0.995204230000000,  0.335098860000000,  0.882621720000000 ]    mass: 18.998403    reduced_to: 30  - symbol: F  # 31    coordinates: [  0.815944540000000,  0.184055460000000,  0.576935530000000 ]    mass: 18.998403    reduced_to: 31  - symbol: F  # 32    coordinates: [  0.222492820000000,  0.444985650000000,  0.549972180000000 ]    mass: 18.998403    reduced_to: 32  - symbol: F  # 33    coordinates: [  0.779629010000000,  0.889814500000000,  0.721720810000000 ]    mass: 18.998403    reduced_to: 33  - symbol: F  # 34    coordinates: [  0.664901140000000,  0.004795770000000,  0.882621720000000 ]    mass: 18.998403    reduced_to: 34  - symbol: F  # 35    coordinates: [  0.555014350000000,  0.777507180000000,  0.549972180000000 ]    mass: 18.998403    reduced_to: 35  - symbol: F  # 36    coordinates: [  0.110185500000000,  0.889814500000000,  0.721720810000000 ]    mass: 18.998403    reduced_to: 36  - symbol: F  # 37    coordinates: [  0.184055460000000,  0.815944540000000,  0.076935530000000 ]    mass: 18.998403    reduced_to: 37  - symbol: F  # 38    coordinates: [  0.889814500000000,  0.779629010000000,  0.221720810000000 ]    mass: 18.998403    reduced_to: 38  - symbol: F  # 39    coordinates: [  0.520407360000000,  0.479592640000000,  0.687250190000000 ]    mass: 18.998403    reduced_to: 39  - symbol: F  # 40    coordinates: [  0.220370990000000,  0.110185500000000,  0.221720810000000 ]    mass: 18.998403    reduced_to: 40  - symbol: F  # 41    coordinates: [  0.184055460000000,  0.368110930000000,  0.076935530000000 ]    mass: 18.998403    reduced_to: 41  - symbol: F  # 42    coordinates: [  0.335098860000000,  0.339894620000000,  0.382621720000000 ]    mass: 18.998403    reduced_to: 42  - symbol: F  # 43    coordinates: [  0.444985650000000,  0.222492820000000,  0.049972180000000 ]    mass: 18.998403    reduced_to: 43  - symbol: F  # 44    coordinates: [  0.660105380000000,  0.664901140000000,  0.382621720000000 ]    mass: 18.998403    reduced_to: 44  - symbol: F  # 45    coordinates: [  0.479592640000000,  0.520407360000000,  0.187250190000000 ]    mass: 18.998403    reduced_to: 45  - symbol: F  # 46    coordinates: [  0.040814730000000,  0.520407360000000,  0.187250190000000 ]    mass: 18.998403    reduced_to: 46  - symbol: F  # 47    coordinates: [  0.335098860000000,  0.995204230000000,  0.382621720000000 ]    mass: 18.998403    reduced_to: 47  - symbol: F  # 48    coordinates: [  0.815944540000000,  0.631889070000000,  0.576935530000000 ]    mass: 18.998403    reduced_to: 48  - symbol: F  # 49    coordinates: [  0.666666670000000,  0.333333330000000,  0.469445360000000 ]    mass: 18.998403    reduced_to: 49  - symbol: F  # 50    coordinates: [  0.339894620000000,  0.004795770000000,  0.882621720000000 ]    mass: 18.998403    reduced_to: 50  - symbol: F  # 51    coordinates: [  0.995204230000000,  0.660105380000000,  0.882621720000000 ]    mass: 18.998403    reduced_to: 51  - symbol: F  # 52    coordinates: [  0.368110930000000,  0.184055460000000,  0.576935530000000 ]    mass: 18.998403    reduced_to: 52  - symbol: F  # 53    coordinates: [  0.666666670000000,  0.333333330000000,  0.800582100000000 ]    mass: 18.998403    reduced_to: 53  - symbol: F  # 54    coordinates: [  0.889814500000000,  0.110185500000000,  0.221720810000000 ]    mass: 18.998403    reduced_to: 54  - symbol: F  # 55    coordinates: [  0.631889070000000,  0.815944540000000,  0.076935530000000 ]    mass: 18.998403    reduced_to: 55  - symbol: F  # 56    coordinates: [  0.479592640000000,  0.959185270000000,  0.187250190000000 ]    mass: 18.998403    reduced_to: 56supercell:  lattice:  - [     8.074123830000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.037061910000000,     6.992396350000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    13.187469490000000 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.259024840000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.496996370000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Rb # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.759024840000000 ]    mass: 85.467800    reduced_to: 3  - symbol: Rb # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.996996370000000 ]    mass: 85.467800    reduced_to: 4  - symbol: Er # 5    coordinates: [  0.505943790000000,  0.011887580000000,  0.513168470000000 ]    mass: 167.259000    reduced_to: 5  - symbol: Er # 6    coordinates: [  0.494056210000000,  0.988112420000000,  0.013168470000000 ]    mass: 167.259000    reduced_to: 6  - symbol: Er # 7    coordinates: [  0.494056210000000,  0.505943790000000,  0.013168470000000 ]    mass: 167.259000    reduced_to: 7  - symbol: Er # 8    coordinates: [  0.174557210000000,  0.825442790000000,  0.252373150000000 ]    mass: 167.259000    reduced_to: 8  - symbol: Er # 9    coordinates: [  0.011887580000000,  0.505943790000000,  0.013168470000000 ]    mass: 167.259000    reduced_to: 9  - symbol: Er # 10    coordinates: [  0.825442790000000,  0.174557210000000,  0.752373150000000 ]    mass: 167.259000    reduced_to: 10  - symbol: Er # 11    coordinates: [  0.349114430000000,  0.174557210000000,  0.752373150000000 ]    mass: 167.259000    reduced_to: 11  - symbol: Er # 12    coordinates: [  0.174557210000000,  0.349114430000000,  0.252373150000000 ]    mass: 167.259000    reduced_to: 12  - symbol: Er # 13    coordinates: [  0.988112420000000,  0.494056210000000,  0.513168470000000 ]    mass: 167.259000    reduced_to: 13  - symbol: Er # 14    coordinates: [  0.505943790000000,  0.494056210000000,  0.513168470000000 ]    mass: 167.259000    reduced_to: 14  - symbol: Er # 15    coordinates: [  0.650885570000000,  0.825442790000000,  0.252373150000000 ]    mass: 167.259000    reduced_to: 15  - symbol: Er # 16    coordinates: [  0.825442790000000,  0.650885570000000,  0.752373150000000 ]    mass: 167.259000    reduced_to: 16  - symbol: F  # 17    coordinates: [  0.777507180000000,  0.222492820000000,  0.049972180000000 ]    mass: 18.998403    reduced_to: 17  - symbol: F  # 18    coordinates: [  0.110185500000000,  0.220370990000000,  0.721720810000000 ]    mass: 18.998403    reduced_to: 18  - symbol: F  # 19    coordinates: [  0.339894620000000,  0.335098860000000,  0.882621720000000 ]    mass: 18.998403    reduced_to: 19  - 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