# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c1df3d43-7ae8-431c-a204-ac3252a7c6e6/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 TmAl3(BO3)4 / R32 (155) / materials id 13516](https://mdr.nims.go.jp/datasets/79f55b49-873d-434e-9dcd-b7769eb5080a)

## 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: "R32"  number: 155  Hall_symbol: "R 3 2\""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,   2 ]primitive_cell:  lattice:  - [     4.642203700000004,     2.680177556666663,     2.390363023333331 ] # a  - [    -4.642203699999994,     2.680177556666663,     2.390363023333331 ] # b  - [     0.000000000000005,    -5.360355113333335,     2.390363023333331 ] # c  points:  - symbol: B  # 1    coordinates: [  0.055934170000000,  0.944065830000001,  0.500000000000000 ]    mass: 10.811000  - symbol: B  # 2    coordinates: [  0.944065830000000,  0.500000000000001,  0.055934170000000 ]    mass: 10.811000  - symbol: B  # 3    coordinates: [  0.500000000000000,  0.055934170000002,  0.944065830000000 ]    mass: 10.811000  - symbol: B  # 4    coordinates: [  0.500000000000000,  0.500000000000002,  0.500000000000000 ]    mass: 10.811000  - symbol: O  # 5    coordinates: [  0.500000000000000,  0.907497970000002,  0.092502030000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.092502030000000,  0.500000000000001,  0.907497970000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.907497970000000,  0.092502030000001,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.500000000000000,  0.649017080000002,  0.350982920000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.350982920000000,  0.500000000000001,  0.649017080000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.649017080000000,  0.350982920000002,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.632177280000000,  0.029030840000001,  0.781696720000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.781696720000000,  0.632177280000002,  0.029030840000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.029030840000000,  0.781696720000001,  0.632177280000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.970969160000000,  0.367822720000001,  0.218303280000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.218303280000000,  0.970969160000002,  0.367822720000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.367822720000000,  0.218303280000001,  0.970969160000000 ]    mass: 15.999400  - symbol: Al # 17    coordinates: [  0.000000000000000,  0.444714520000001,  0.555285470000000 ]    mass: 26.981539  - symbol: Al # 18    coordinates: [  0.444714520000000,  0.555285470000001,  0.000000000000000 ]    mass: 26.981539  - symbol: Al # 19    coordinates: [  0.555285470000000,  0.000000000000001,  0.444714520000000 ]    mass: 26.981539  - symbol: Tm # 20    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 168.934210  reciprocal_lattice: # without 2pi  - [     0.107707466606862,     0.062184934819747,     0.139448832700108 ] # a*  - [    -0.107707466606862,     0.062184934819747,     0.139448832700108 ] # b*  - [    -0.000000000000000,    -0.124369869639495,     0.139448832700108 ] # c*unit_cell:  lattice:  - [     9.284407399999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.642203700000000,     8.040532669999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.171089070000000 ] # c  points:  - symbol: B  # 1    coordinates: [  0.555934170000000,  0.000000000000000,  0.500000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 2    coordinates: [  0.444065830000000,  0.444065830000000,  0.500000000000000 ]    mass: 10.811000    reduced_to: 2  - symbol: B  # 3    coordinates: [  0.000000000000000,  0.555934170000000,  0.500000000000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 4    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 10.811000    reduced_to: 4  - symbol: B  # 5    coordinates: [  0.222600830000000,  0.333333330000000,  0.833333330000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 6    coordinates: [  0.110732500000000,  0.777399170000000,  0.833333330000000 ]    mass: 10.811000    reduced_to: 2  - symbol: B  # 7    coordinates: [  0.666666670000000,  0.889267500000000,  0.833333330000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 8    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 10.811000    reduced_to: 4  - symbol: B  # 9    coordinates: [  0.889267500000000,  0.666666670000000,  0.166666670000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 10    coordinates: [  0.777399170000000,  0.110732500000000,  0.166666670000000 ]    mass: 10.811000    reduced_to: 2  - symbol: B  # 11    coordinates: [  0.333333330000000,  0.222600830000000,  0.166666670000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 12    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 10.811000    reduced_to: 4  - symbol: O  # 13    coordinates: [  0.000000000000000,  0.407497970000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.592502030000000,  0.592502030000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.407497970000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.000000000000000,  0.149017080000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.850982920000000,  0.850982920000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.149017080000000,  0.000000000000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.151209000000000,  0.699271560000000,  0.480968280000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.300728440000000,  0.451937440000000,  0.480968280000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.548062560000000,  0.848791000000000,  0.480968280000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.451937440000000,  0.300728440000000,  0.519031720000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.699271560000000,  0.151209000000000,  0.519031720000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.848791000000000,  0.548062560000000,  0.519031720000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.666666670000000,  0.740831310000000,  0.833333330000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 26    coordinates: [  0.259168690000000,  0.925835360000000,  0.833333330000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 27    coordinates: [  0.074164640000000,  0.333333330000000,  0.833333330000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 28    coordinates: [  0.666666670000000,  0.482350410000000,  0.833333330000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 29    coordinates: [  0.517649590000000,  0.184316260000000,  0.833333330000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 30    coordinates: [  0.815683740000000,  0.333333330000000,  0.833333330000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 31    coordinates: [  0.817875670000000,  0.032604890000000,  0.814301610000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 32    coordinates: [  0.967395110000000,  0.785270780000000,  0.814301610000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 33    coordinates: [  0.214729220000000,  0.182124330000000,  0.814301610000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 34    coordinates: [  0.118604110000000,  0.634061780000000,  0.852365060000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 35    coordinates: [  0.365938220000000,  0.484542330000000,  0.852365060000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 36    coordinates: [  0.515457670000000,  0.881395890000000,  0.852365060000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 37    coordinates: [  0.333333330000000,  0.074164640000000,  0.166666670000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 38    coordinates: [  0.925835360000000,  0.259168690000000,  0.166666670000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 39    coordinates: [  0.740831310000000,  0.666666670000000,  0.166666670000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 40    coordinates: [  0.333333330000000,  0.815683740000000,  0.166666670000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 41    coordinates: [  0.184316260000000,  0.517649590000000,  0.166666670000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 42    coordinates: [  0.482350410000000,  0.666666670000000,  0.166666670000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 43    coordinates: [  0.484542330000000,  0.365938220000000,  0.147634940000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 44    coordinates: [  0.634061780000000,  0.118604110000000,  0.147634940000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 45    coordinates: [  0.881395890000000,  0.515457670000000,  0.147634940000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 46    coordinates: [  0.785270780000000,  0.967395110000000,  0.185698390000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 47    coordinates: [  0.032604890000000,  0.817875670000000,  0.185698390000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 48    coordinates: [  0.182124330000000,  0.214729220000000,  0.185698390000000 ]    mass: 15.999400    reduced_to: 24  - symbol: Al # 49    coordinates: [  0.666666670000000,  0.778047860000000,  0.333333330000000 ]    mass: 26.981539    reduced_to: 49  - symbol: Al # 50    coordinates: [  0.111381190000000,  0.333333330000000,  0.333333330000000 ]    mass: 26.981539    reduced_to: 50  - symbol: Al # 51    coordinates: [  0.221952140000000,  0.888618810000000,  0.333333330000000 ]    mass: 26.981539    reduced_to: 51  - symbol: Al # 52    coordinates: [  0.333333330000000,  0.111381190000000,  0.666666670000000 ]    mass: 26.981539    reduced_to: 49  - symbol: Al # 53    coordinates: [  0.778047860000000,  0.666666670000000,  0.666666670000000 ]    mass: 26.981539    reduced_to: 50  - symbol: Al # 54    coordinates: [  0.888618810000000,  0.221952140000000,  0.666666670000000 ]    mass: 26.981539    reduced_to: 51  - symbol: Al # 55    coordinates: [  0.000000000000000,  0.444714520000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 49  - symbol: Al # 56    coordinates: [  0.444714520000000,  0.000000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 50  - symbol: Al # 57    coordinates: [  0.555285480000000,  0.555285480000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 51  - symbol: Tm # 58    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 168.934210    reduced_to: 58  - symbol: Tm # 59    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 168.934210    reduced_to: 58  - symbol: Tm # 60    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 168.934210    reduced_to: 58supercell:  lattice:  - [     9.284407399999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.642203700000000,     8.040532669999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.342178140000000 ] # c  points:  - symbol: B  # 1    coordinates: [  0.555934170000000,  0.000000000000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 2    coordinates: [  0.555934170000000,  0.000000000000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 3    coordinates: [  0.444065830000000,  0.444065830000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 4    coordinates: [  0.444065830000000,  0.444065830000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 5    coordinates: [  0.000000000000000,  0.555934170000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 6    coordinates: [  0.000000000000000,  0.555934170000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 7    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 9    coordinates: [  0.222600830000000,  0.333333330000000,  0.416666665000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 10    coordinates: [  0.222600830000000,  0.333333330000000,  0.916666665000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 11    coordinates: [  0.110732500000000,  0.777399170000000,  0.416666665000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 12    coordinates: [  0.110732500000000,  0.777399170000000,  0.916666665000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 13    coordinates: [  0.666666670000000,  0.889267500000000,  0.416666665000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 14    coordinates: [  0.666666670000000,  0.889267500000000,  0.916666665000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 15    coordinates: [  0.666666670000000,  0.333333330000000,  0.416666665000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 16    coordinates: [  0.666666670000000,  0.333333330000000,  0.916666665000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 17    coordinates: [  0.889267500000000,  0.666666670000000,  0.083333335000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 18    coordinates: [  0.889267500000000,  0.666666670000000,  0.583333335000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 19    coordinates: [  0.777399170000000,  0.110732500000000,  0.083333335000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 20    coordinates: [  0.777399170000000,  0.110732500000000,  0.583333335000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 21    coordinates: [  0.333333330000000,  0.222600830000000,  0.083333335000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 22    coordinates: [  0.333333330000000,  0.222600830000000,  0.583333335000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 23    coordinates: [  0.333333330000000,  0.666666670000000,  0.083333335000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 24    coordinates: [  0.333333330000000,  0.666666670000000,  0.583333335000000 ]    mass: 10.811000    reduced_to: 7  - symbol: O  # 25    coordinates: [  0.000000000000000,  0.407497970000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.000000000000000,  0.407497970000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.592502030000000,  0.592502030000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.592502030000000,  0.592502030000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 29    coordinates: [  0.407497970000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.407497970000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.000000000000000,  0.149017080000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.000000000000000,  0.149017080000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 33    coordinates: [  0.850982920000000,  0.850982920000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.850982920000000,  0.850982920000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.149017080000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.149017080000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 37    coordinates: [  0.151209000000000,  0.699271560000000,  0.240484140000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.151209000000000,  0.699271560000000,  0.740484140000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.300728440000000,  0.451937440000000,  0.240484140000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.300728440000000,  0.451937440000000,  0.740484140000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 41    coordinates: [  0.548062560000000,  0.848791000000000,  0.240484140000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.548062560000000,  0.848791000000000,  0.740484140000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.451937440000000,  0.300728440000000,  0.259515860000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.451937440000000,  0.300728440000000,  0.759515860000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.699271560000000,  0.151209000000000,  0.259515860000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.699271560000000,  0.151209000000000,  0.759515860000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.848791000000000,  0.548062560000000,  0.259515860000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.848791000000000,  0.548062560000000,  0.759515860000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 49    coordinates: [  0.666666670000000,  0.740831310000000,  0.416666665000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 50    coordinates: [  0.666666670000000,  0.740831310000000,  0.916666665000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 51    coordinates: [  0.259168690000000,  0.925835360000000,  0.416666665000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 52    coordinates: [  0.259168690000000,  0.925835360000000,  0.916666665000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 53    coordinates: [  0.074164640000000,  0.333333330000000,  0.416666665000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 54    coordinates: [  0.074164640000000,  0.333333330000000,  0.916666665000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 55    coordinates: [  0.666666670000000,  0.482350410000000,  0.416666665000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 56    coordinates: [  0.666666670000000,  0.482350410000000,  0.916666665000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 57    coordinates: [  0.517649590000000,  0.184316260000000,  0.416666665000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 58    coordinates: [  0.517649590000000,  0.184316260000000,  0.916666665000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 59    coordinates: [  0.815683740000000,  0.333333330000000,  0.416666665000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 60    coordinates: [  0.815683740000000,  0.333333330000000,  0.916666665000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 61    coordinates: [  0.817875670000000,  0.032604890000000,  0.407150805000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 62    coordinates: [  0.817875670000000,  0.032604890000000,  0.907150805000000 ]    mass: 15.999400    reduced_to: 37  - 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