# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/89d8f8dc-f718-4b75-a536-bcd5fd48ab15/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 RbBO2 / R-3c (167) / materials id 31358](https://mdr.nims.go.jp/datasets/ee513410-add2-4c7d-8097-2e947b091d10)

## 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,   2 ]primitive_cell:  lattice:  - [     6.590494120000007,     3.805023553333329,     2.595713203333331 ] # a  - [    -6.590494119999993,     3.805023553333329,     2.595713203333331 ] # b  - [     0.000000000000007,    -7.610047106666670,     2.595713203333331 ] # c  points:  - symbol: B  # 1    coordinates: [  0.750000000000000,  0.639953990000001,  0.860046020000000 ]    mass: 10.811000  - symbol: B  # 2    coordinates: [  0.639953980000000,  0.860046010000000,  0.750000000000000 ]    mass: 10.811000  - symbol: B  # 3    coordinates: [  0.860046010000000,  0.750000000000002,  0.639953990000000 ]    mass: 10.811000  - symbol: B  # 4    coordinates: [  0.250000000000000,  0.360046020000003,  0.139953990000000 ]    mass: 10.811000  - symbol: B  # 5    coordinates: [  0.360046010000000,  0.139953990000001,  0.250000000000000 ]    mass: 10.811000  - symbol: B  # 6    coordinates: [  0.139953980000000,  0.250000000000002,  0.360046010000000 ]    mass: 10.811000  - symbol: O  # 7    coordinates: [  0.039481290000000,  0.249999990000002,  0.460518710000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.460518710000000,  0.039481290000001,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.250000000000000,  0.460518720000003,  0.039481290000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.960518710000000,  0.750000000000002,  0.539481290000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.539481290000000,  0.960518700000000,  0.750000000000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.750000000000000,  0.539481300000001,  0.960518710000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.250000000000000,  0.144766880000003,  0.355233130000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.355233130000000,  0.250000000000001,  0.144766870000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.144766870000000,  0.355233120000002,  0.250000000000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.750000000000000,  0.855233140000001,  0.644766870000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.644766870000000,  0.749999990000000,  0.855233130000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.855233130000000,  0.644766870000002,  0.750000000000000 ]    mass: 15.999400  - symbol: Rb # 19    coordinates: [  0.750000000000000,  0.310798260000001,  0.189201750000000 ]    mass: 85.467800  - symbol: Rb # 20    coordinates: [  0.310798250000000,  0.189201740000000,  0.750000000000000 ]    mass: 85.467800  - symbol: Rb # 21    coordinates: [  0.189201750000000,  0.750000000000002,  0.310798250000000 ]    mass: 85.467800  - symbol: Rb # 22    coordinates: [  0.250000000000000,  0.689201750000003,  0.810798260000000 ]    mass: 85.467800  - symbol: Rb # 23    coordinates: [  0.689201750000000,  0.810798250000001,  0.250000000000000 ]    mass: 85.467800  - symbol: Rb # 24    coordinates: [  0.810798250000000,  0.250000000000002,  0.689201740000000 ]    mass: 85.467800  reciprocal_lattice: # without 2pi  - [     0.075866845625833,     0.043801743755478,     0.128416857804351 ] # a*  - [    -0.075866845625833,     0.043801743755478,     0.128416857804351 ] # b*  - [     0.000000000000000,    -0.087603487510957,     0.128416857804351 ] # c*unit_cell:  lattice:  - [    13.180988240000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -6.590494120000000,    11.415070660000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.787139610000000 ] # c  points:  - symbol: B  # 1    coordinates: [  0.333333330000000,  0.556620650000000,  0.416666670000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 2    coordinates: [  0.556620650000000,  0.333333330000000,  0.083333330000000 ]    mass: 10.811000    reduced_to: 2  - symbol: B  # 3    coordinates: [  0.110046010000000,  0.110046010000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 4    coordinates: [  0.333333330000000,  0.776712680000000,  0.916666670000000 ]    mass: 10.811000    reduced_to: 4  - symbol: B  # 5    coordinates: [  0.110046010000000,  0.000000000000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 6    coordinates: [  0.556620650000000,  0.223287320000000,  0.583333330000000 ]    mass: 10.811000    reduced_to: 6  - symbol: B  # 7    coordinates: [  0.000000000000000,  0.889953990000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 8    coordinates: [  0.223287320000000,  0.666666670000000,  0.416666670000000 ]    mass: 10.811000    reduced_to: 2  - symbol: B  # 9    coordinates: [  0.776712680000000,  0.443379350000000,  0.083333330000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 10    coordinates: [  0.000000000000000,  0.110046010000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 4  - symbol: B  # 11    coordinates: [  0.776712680000000,  0.333333330000000,  0.583333330000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 12    coordinates: [  0.223287320000000,  0.556620650000000,  0.916666670000000 ]    mass: 10.811000    reduced_to: 6  - symbol: B  # 13    coordinates: [  0.666666670000000,  0.223287320000000,  0.083333330000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 14    coordinates: [  0.889953990000000,  0.000000000000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 2  - symbol: B  # 15    coordinates: [  0.443379350000000,  0.776712680000000,  0.416666670000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 16    coordinates: [  0.666666670000000,  0.443379350000000,  0.583333330000000 ]    mass: 10.811000    reduced_to: 4  - symbol: B  # 17    coordinates: [  0.443379350000000,  0.666666670000000,  0.916666670000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 18    coordinates: [  0.889953990000000,  0.889953990000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 6  - symbol: O  # 19    coordinates: [  0.456147960000000,  0.122814620000000,  0.583333330000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.210518710000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.333333330000000,  0.877185380000000,  0.916666670000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.210518710000000,  0.210518710000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.456147960000000,  0.333333330000000,  0.083333330000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.333333330000000,  0.456147960000000,  0.416666670000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.333333330000000,  0.561433540000000,  0.916666670000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.105233130000000,  0.105233130000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.561433540000000,  0.333333330000000,  0.583333330000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.333333330000000,  0.771899800000000,  0.416666670000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.561433540000000,  0.228100200000000,  0.083333330000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.105233130000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.122814620000000,  0.456147960000000,  0.916666670000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 32    coordinates: [  0.877185380000000,  0.333333330000000,  0.583333330000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 33    coordinates: [  0.000000000000000,  0.210518710000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 34    coordinates: [  0.877185380000000,  0.543852040000000,  0.083333330000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 35    coordinates: [  0.122814620000000,  0.666666670000000,  0.416666670000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 36    coordinates: [  0.000000000000000,  0.789481290000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 37    coordinates: [  0.000000000000000,  0.894766870000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 38    coordinates: [  0.771899800000000,  0.438566460000000,  0.583333330000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 39    coordinates: [  0.228100200000000,  0.666666670000000,  0.916666670000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 40    coordinates: [  0.000000000000000,  0.105233130000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 41    coordinates: [  0.228100200000000,  0.561433540000000,  0.416666670000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 42    coordinates: [  0.771899800000000,  0.333333330000000,  0.083333330000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 43    coordinates: [  0.789481290000000,  0.789481290000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 44    coordinates: [  0.543852040000000,  0.666666670000000,  0.916666670000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 45    coordinates: [  0.666666670000000,  0.543852040000000,  0.583333330000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 46    coordinates: [  0.543852040000000,  0.877185380000000,  0.416666670000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 47    coordinates: [  0.789481290000000,  0.000000000000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 48    coordinates: [  0.666666670000000,  0.122814620000000,  0.083333330000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 49    coordinates: [  0.666666670000000,  0.228100200000000,  0.583333330000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 50    coordinates: [  0.438566460000000,  0.771899800000000,  0.916666670000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 51    coordinates: [  0.894766870000000,  0.000000000000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 52    coordinates: [  0.666666670000000,  0.438566460000000,  0.083333330000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 53    coordinates: [  0.894766870000000,  0.894766870000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 54    coordinates: [  0.438566460000000,  0.666666670000000,  0.416666670000000 ]    mass: 15.999400    reduced_to: 30  - symbol: Rb # 55    coordinates: [  0.333333330000000,  0.227464920000000,  0.416666670000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 56    coordinates: [  0.227464920000000,  0.333333330000000,  0.083333330000000 ]    mass: 85.467800    reduced_to: 56  - symbol: Rb # 57    coordinates: [  0.439201750000000,  0.439201750000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 57  - symbol: Rb # 58    coordinates: [  0.333333330000000,  0.105868410000000,  0.916666670000000 ]    mass: 85.467800    reduced_to: 58  - symbol: Rb # 59    coordinates: [  0.439201750000000,  0.000000000000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 59  - symbol: Rb # 60    coordinates: [  0.227464920000000,  0.894131590000000,  0.583333330000000 ]    mass: 85.467800    reduced_to: 60  - symbol: Rb # 61    coordinates: [  0.000000000000000,  0.560798250000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 62    coordinates: [  0.894131590000000,  0.666666670000000,  0.416666670000000 ]    mass: 85.467800    reduced_to: 56  - symbol: Rb # 63    coordinates: [  0.105868410000000,  0.772535080000000,  0.083333330000000 ]    mass: 85.467800    reduced_to: 57  - symbol: Rb # 64    coordinates: [  0.000000000000000,  0.439201750000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 58  - symbol: Rb # 65    coordinates: [  0.105868410000000,  0.333333330000000,  0.583333330000000 ]    mass: 85.467800    reduced_to: 59  - symbol: Rb # 66    coordinates: [  0.894131590000000,  0.227464920000000,  0.916666670000000 ]    mass: 85.467800    reduced_to: 60  - symbol: Rb # 67    coordinates: [  0.666666670000000,  0.894131590000000,  0.083333330000000 ]    mass: 85.467800    reduced_to: 55  - symbol: Rb # 68    coordinates: [  0.560798250000000,  0.000000000000000,  0.750000000000000 ]    mass: 85.467800    reduced_to: 56  - symbol: Rb # 69    coordinates: [  0.772535080000000,  0.105868410000000,  0.416666670000000 ]    mass: 85.467800    reduced_to: 57  - symbol: Rb # 70    coordinates: [  0.666666670000000,  0.772535080000000,  0.583333330000000 ]    mass: 85.467800    reduced_to: 58  - symbol: Rb # 71    coordinates: [  0.772535080000000,  0.666666670000000,  0.916666670000000 ]    mass: 85.467800    reduced_to: 59  - symbol: Rb # 72    coordinates: [  0.560798250000000,  0.560798250000000,  0.250000000000000 ]    mass: 85.467800    reduced_to: 60supercell:  lattice:  - [    13.180988240000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -6.590494120000000,    11.415070660000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.574279219999999 ] # c  points:  - symbol: B  # 1    coordinates: [  0.333333330000000,  0.556620650000000,  0.208333335000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 2    coordinates: [  0.333333330000000,  0.556620650000000,  0.708333335000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 3    coordinates: [  0.556620650000000,  0.333333330000000,  0.041666665000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 4    coordinates: [  0.556620650000000,  0.333333330000000,  0.541666665000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 5    coordinates: [  0.110046010000000,  0.110046010000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 6    coordinates: [  0.110046010000000,  0.110046010000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 7    coordinates: [  0.333333330000000,  0.776712680000000,  0.458333335000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 8    coordinates: [  0.333333330000000,  0.776712680000000,  0.958333335000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 9    coordinates: [  0.110046010000000,  0.000000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 10    coordinates: [  0.110046010000000,  0.000000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 11    coordinates: [  0.556620650000000,  0.223287320000000,  0.291666665000000 ]    mass: 10.811000    reduced_to: 11  - symbol: B  # 12    coordinates: [  0.556620650000000,  0.223287320000000,  0.791666665000000 ]    mass: 10.811000    reduced_to: 11  - symbol: B  # 13    coordinates: [  0.000000000000000,  0.889953990000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 14    coordinates: [  0.000000000000000,  0.889953990000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 15    coordinates: [  0.223287320000000,  0.666666670000000,  0.208333335000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 16    coordinates: [  0.223287320000000,  0.666666670000000,  0.708333335000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 17    coordinates: [  0.776712680000000,  0.443379350000000,  0.041666665000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 18    coordinates: [  0.776712680000000,  0.443379350000000,  0.541666665000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 19    coordinates: [  0.000000000000000,  0.110046010000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 20    coordinates: [  0.000000000000000,  0.110046010000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 21    coordinates: [  0.776712680000000,  0.333333330000000,  0.291666665000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 22    coordinates: [  0.776712680000000,  0.333333330000000,  0.791666665000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 23    coordinates: [  0.223287320000000,  0.556620650000000,  0.458333335000000 ]    mass: 10.811000    reduced_to: 11  - symbol: B  # 24    coordinates: [  0.223287320000000,  0.556620650000000,  0.958333335000000 ]    mass: 10.811000    reduced_to: 11  - symbol: B  # 25    coordinates: [  0.666666670000000,  0.223287320000000,  0.041666665000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 26    coordinates: [  0.666666670000000,  0.223287320000000,  0.541666665000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 27    coordinates: [  0.889953990000000,  0.000000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 28    coordinates: [  0.889953990000000,  0.000000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 29    coordinates: [  0.443379350000000,  0.776712680000000,  0.208333335000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 30    coordinates: [  0.443379350000000,  0.776712680000000,  0.708333335000000 ]    mass: 10.811000    reduced_to: 5  - 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