# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1c352b11-b977-4b63-aa3e-2aea17231714/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 Sr3InRhO6 / R-3c (167) / materials id 669389](https://mdr.nims.go.jp/datasets/c993af8e-3e7c-4bba-80ed-9e606fa35c88)

## 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: "R-3c"  number: 167  Hall_symbol: "-R 3 2\"c"primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     4.777820523333339,     2.758475966666664,     3.818501246666663 ] # a  - [    -4.777820526666662,     2.758475966666664,     3.818501246666663 ] # b  - [     0.000000003333338,    -5.516951933333336,     3.818501246666663 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.618600210000000,  0.250000000000002,  0.881399780000000 ]    mass: 87.620000  - symbol: Sr # 2    coordinates: [  0.250000000000000,  0.881399780000002,  0.618600210000000 ]    mass: 87.620000  - symbol: Sr # 3    coordinates: [  0.118600220000000,  0.381399790000001,  0.750000000000000 ]    mass: 87.620000  - symbol: Sr # 4    coordinates: [  0.750000000000000,  0.118600220000001,  0.381399790000000 ]    mass: 87.620000  - symbol: Sr # 5    coordinates: [  0.381399790000000,  0.750000000000001,  0.118600220000000 ]    mass: 87.620000  - symbol: Sr # 6    coordinates: [  0.881399780000000,  0.618600210000002,  0.250000000000000 ]    mass: 87.620000  - symbol: In # 7    coordinates: [  0.250000000000000,  0.250000000000001,  0.250000000000000 ]    mass: 114.818000  - symbol: In # 8    coordinates: [  0.750000000000000,  0.750000000000002,  0.750000000000000 ]    mass: 114.818000  - symbol: Rh # 9    coordinates: [  0.000000000000000,  0.000000010000002,  0.000000000000000 ]    mass: 102.905500  - symbol: Rh # 10    coordinates: [  0.500000000000000,  0.500000000000002,  0.500000000000000 ]    mass: 102.905500  - symbol: O  # 11    coordinates: [  0.788498950000000,  0.459021350000002,  0.593738040000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.540978660000000,  0.406261950000001,  0.211501050000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.711501050000000,  0.906261960000002,  0.040978660000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.906261970000000,  0.040978650000002,  0.711501050000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.040978660000000,  0.711501040000002,  0.906261970000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.459021340000000,  0.593738050000002,  0.788498950000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.093738030000000,  0.959021350000001,  0.288498950000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.211501050000000,  0.540978650000001,  0.406261960000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.288498950000000,  0.093738040000001,  0.959021340000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.959021340000000,  0.288498960000001,  0.093738030000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.593738040000000,  0.788498960000002,  0.459021340000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.406261960000000,  0.211501040000001,  0.540978660000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.104650226475386,     0.060419836480389,     0.087294284275621 ] # a*  - [    -0.104650226475386,     0.060419836353930,     0.087294284275621 ] # b*  - [    -0.000000000000000,    -0.120839672834320,     0.087294284275621 ] # c*unit_cell:  lattice:  - [     9.555641050000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.777820530000000,     8.275427900000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.455503739999999 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.035266880000000,  0.701933550000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 2    coordinates: [  0.666666670000000,  0.964733120000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Sr # 3    coordinates: [  0.701933550000000,  0.666666670000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 4    coordinates: [  0.333333330000000,  0.035266880000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 4  - symbol: Sr # 5    coordinates: [  0.964733120000000,  0.298066450000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 5  - symbol: Sr # 6    coordinates: [  0.298066450000000,  0.333333330000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 6  - symbol: Sr # 7    coordinates: [  0.701933550000000,  0.035266880000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 8    coordinates: [  0.333333330000000,  0.298066450000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Sr # 9    coordinates: [  0.368600220000000,  0.000000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 10    coordinates: [  0.000000000000000,  0.368600220000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 4  - symbol: Sr # 11    coordinates: [  0.631399780000000,  0.631399780000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 5  - symbol: Sr # 12    coordinates: [  0.964733120000000,  0.666666670000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 6  - symbol: Sr # 13    coordinates: [  0.368600220000000,  0.368600220000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 14    coordinates: [  0.000000000000000,  0.631399780000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Sr # 15    coordinates: [  0.035266880000000,  0.333333330000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 16    coordinates: [  0.666666670000000,  0.701933550000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 4  - symbol: Sr # 17    coordinates: [  0.298066450000000,  0.964733120000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 5  - symbol: Sr # 18    coordinates: [  0.631399780000000,  0.000000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 6  - symbol: In # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 19  - symbol: In # 20    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 20  - symbol: In # 21    coordinates: [  0.666666670000000,  0.333333330000000,  0.583333330000000 ]    mass: 114.818000    reduced_to: 19  - symbol: In # 22    coordinates: [  0.666666670000000,  0.333333330000000,  0.083333330000000 ]    mass: 114.818000    reduced_to: 20  - symbol: In # 23    coordinates: [  0.333333330000000,  0.666666670000000,  0.916666670000000 ]    mass: 114.818000    reduced_to: 19  - symbol: In # 24    coordinates: [  0.333333330000000,  0.666666670000000,  0.416666670000000 ]    mass: 114.818000    reduced_to: 20  - symbol: Rh # 25    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 102.905500    reduced_to: 25  - symbol: Rh # 26    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 26  - symbol: Rh # 27    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 25  - symbol: Rh # 28    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 102.905500    reduced_to: 26  - symbol: Rh # 29    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 102.905500    reduced_to: 25  - symbol: Rh # 30    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 102.905500    reduced_to: 26  - symbol: O  # 31    coordinates: [  0.174746170000000,  0.020014740000000,  0.613752780000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.154731440000000,  0.174746170000000,  0.386247220000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.158587160000000,  0.511935230000000,  0.552913890000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.353348080000000,  0.841412840000000,  0.552913890000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.488064770000000,  0.646651920000000,  0.552913890000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.845268560000000,  0.825253830000000,  0.613752780000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.646651920000000,  0.158587160000000,  0.447086110000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.825253830000000,  0.979985260000000,  0.386247220000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.841412840000000,  0.488064770000000,  0.447086110000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.511935230000000,  0.353348080000000,  0.447086110000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.979985260000000,  0.154731440000000,  0.613752780000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.020014740000000,  0.845268560000000,  0.386247220000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.841412840000000,  0.353348080000000,  0.947086110000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 44    coordinates: [  0.821398100000000,  0.508079500000000,  0.719580550000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 45    coordinates: [  0.825253830000000,  0.845268560000000,  0.886247220000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 46    coordinates: [  0.020014740000000,  0.174746170000000,  0.886247220000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 47    coordinates: [  0.154731440000000,  0.979985260000000,  0.886247220000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 48    coordinates: [  0.511935230000000,  0.158587160000000,  0.947086110000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 49    coordinates: [  0.313318590000000,  0.491920500000000,  0.780419450000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 50    coordinates: [  0.491920500000000,  0.313318590000000,  0.719580550000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 51    coordinates: [  0.508079500000000,  0.821398100000000,  0.780419450000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 52    coordinates: [  0.178601900000000,  0.686681410000000,  0.780419450000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 53    coordinates: [  0.646651920000000,  0.488064770000000,  0.947086110000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 54    coordinates: [  0.686681410000000,  0.178601900000000,  0.719580550000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 55    coordinates: [  0.508079500000000,  0.686681410000000,  0.280419450000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 56    coordinates: [  0.488064770000000,  0.841412840000000,  0.052913890000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 57    coordinates: [  0.491920500000000,  0.178601900000000,  0.219580550000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 58    coordinates: [  0.686681410000000,  0.508079500000000,  0.219580550000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 59    coordinates: [  0.821398100000000,  0.313318590000000,  0.219580550000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 60    coordinates: [  0.178601900000000,  0.491920500000000,  0.280419450000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 61    coordinates: [  0.979985260000000,  0.825253830000000,  0.113752780000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.158587160000000,  0.646651920000000,  0.052913890000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 63    coordinates: [  0.174746170000000,  0.154731440000000,  0.113752780000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 64    coordinates: [  0.845268560000000,  0.020014740000000,  0.113752780000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 65    coordinates: [  0.313318590000000,  0.821398100000000,  0.280419450000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 66    coordinates: [  0.353348080000000,  0.511935230000000,  0.052913890000000 ]    mass: 15.999400    reduced_to: 42supercell:  lattice:  - [     9.555641050000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.777820530000000,     8.275427900000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.455503739999999 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.035266880000000,  0.701933550000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 2    coordinates: [  0.666666670000000,  0.964733120000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Sr # 3    coordinates: [  0.701933550000000,  0.666666670000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 4    coordinates: [  0.333333330000000,  0.035266880000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 4  - symbol: Sr # 5    coordinates: [  0.964733120000000,  0.298066450000000,  0.416666670000000 ]    mass: 87.620000    reduced_to: 5  - symbol: Sr # 6    coordinates: [  0.298066450000000,  0.333333330000000,  0.583333330000000 ]    mass: 87.620000    reduced_to: 6  - symbol: Sr # 7    coordinates: [  0.701933550000000,  0.035266880000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 8    coordinates: [  0.333333330000000,  0.298066450000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Sr # 9    coordinates: [  0.368600220000000,  0.000000000000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 10    coordinates: [  0.000000000000000,  0.368600220000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 4  - symbol: Sr # 11    coordinates: [  0.631399780000000,  0.631399780000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 5  - symbol: Sr # 12    coordinates: [  0.964733120000000,  0.666666670000000,  0.916666670000000 ]    mass: 87.620000    reduced_to: 6  - symbol: Sr # 13    coordinates: [  0.368600220000000,  0.368600220000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 14    coordinates: [  0.000000000000000,  0.631399780000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Sr # 15    coordinates: [  0.035266880000000,  0.333333330000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 16    coordinates: [  0.666666670000000,  0.701933550000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 4  - symbol: Sr # 17    coordinates: [  0.298066450000000,  0.964733120000000,  0.083333330000000 ]    mass: 87.620000    reduced_to: 5  - symbol: Sr # 18    coordinates: [  0.631399780000000,  0.000000000000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 6  - symbol: In # 19    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 114.818000    reduced_to: 19  - symbol: In # 20    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 114.818000    reduced_to: 20  - symbol: In # 21    coordinates: [  0.666666670000000,  0.333333330000000,  0.583333330000000 ]    mass: 114.818000    reduced_to: 19  - symbol: In # 22    coordinates: [  0.666666670000000,  0.333333330000000,  0.083333330000000 ]    mass: 114.818000    reduced_to: 20  - symbol: In # 23    coordinates: [  0.333333330000000,  0.666666670000000,  0.916666670000000 ]    mass: 114.818000    reduced_to: 19  - symbol: In # 24    coordinates: [  0.333333330000000,  0.666666670000000,  0.416666670000000 ]    mass: 114.818000    reduced_to: 20  - symbol: Rh # 25    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 102.905500    reduced_to: 25  - symbol: Rh # 26    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 102.905500    reduced_to: 26  - symbol: Rh # 27    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 102.905500    reduced_to: 25  - symbol: Rh # 28    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 102.905500    reduced_to: 26  - symbol: Rh # 29    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 102.905500    reduced_to: 25  - symbol: Rh # 30    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 102.905500    reduced_to: 26  - symbol: O  # 31    coordinates: [  0.174746170000000,  0.020014740000000,  0.613752780000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.154731440000000,  0.174746170000000,  0.386247220000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.158587160000000,  0.511935230000000,  0.552913890000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.353348080000000,  0.841412840000000,  0.552913890000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.488064770000000,  0.646651920000000,  0.552913890000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.845268560000000,  0.825253830000000,  0.613752780000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.646651920000000,  0.158587160000000,  0.447086110000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.825253830000000,  0.979985260000000,  0.386247220000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.841412840000000,  0.488064770000000,  0.447086110000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.511935230000000,  0.353348080000000,  0.447086110000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.979985260000000,  0.154731440000000,  0.613752780000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.020014740000000,  0.845268560000000,  0.386247220000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.841412840000000,  0.353348080000000,  0.947086110000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 44    coordinates: [  0.821398100000000,  0.508079500000000,  0.719580550000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 45    coordinates: [  0.825253830000000,  0.845268560000000,  0.886247220000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 46    coordinates: [  0.020014740000000,  0.174746170000000,  0.886247220000000 ]    mass: 15.999400    reduced_to: 34  - 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