# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6e145a46-e2a8-46d9-ab42-279ac7d17bcd/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 NaBS2 / R-3c (167) / materials id 15011](https://mdr.nims.go.jp/datasets/ded23833-f350-4e8e-a52e-286f4e26dcff)

## 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:  - [     7.516020700000008,     4.339376573333329,     2.442227096666664 ] # a  - [    -7.516020699999992,     4.339376573333329,     2.442227096666664 ] # b  - [     0.000000000000008,    -8.678753146666670,     2.442227096666664 ] # c  points:  - symbol: B  # 1    coordinates: [  0.368268700000000,  0.249999990000002,  0.131731300000000 ]    mass: 10.811000  - symbol: B  # 2    coordinates: [  0.868268700000000,  0.631731290000000,  0.750000000000000 ]    mass: 10.811000  - symbol: B  # 3    coordinates: [  0.631731300000000,  0.750000010000001,  0.868268700000000 ]    mass: 10.811000  - symbol: B  # 4    coordinates: [  0.250000000000000,  0.131731300000001,  0.368268700000000 ]    mass: 10.811000  - symbol: B  # 5    coordinates: [  0.131731300000000,  0.368268710000003,  0.250000000000000 ]    mass: 10.811000  - symbol: B  # 6    coordinates: [  0.750000000000000,  0.868268700000002,  0.631731300000000 ]    mass: 10.811000  - symbol: Na # 7    coordinates: [  0.787486190000000,  0.712513820000003,  0.250000000000000 ]    mass: 22.989769  - symbol: Na # 8    coordinates: [  0.250000000000000,  0.787486190000001,  0.712513810000000 ]    mass: 22.989769  - symbol: Na # 9    coordinates: [  0.287486190000000,  0.750000010000001,  0.212513810000000 ]    mass: 22.989769  - symbol: Na # 10    coordinates: [  0.212513810000000,  0.287486180000000,  0.750000000000000 ]    mass: 22.989769  - symbol: Na # 11    coordinates: [  0.712513810000000,  0.249999990000002,  0.787486190000000 ]    mass: 22.989769  - symbol: Na # 12    coordinates: [  0.750000000000000,  0.212513810000002,  0.287486190000000 ]    mass: 22.989769  - symbol: S  # 13    coordinates: [  0.126105590000000,  0.250000000000003,  0.373894420000000 ]    mass: 32.065000  - symbol: S  # 14    coordinates: [  0.986076300000000,  0.513923690000000,  0.750000000000000 ]    mass: 32.065000  - symbol: S  # 15    coordinates: [  0.513923700000000,  0.750000000000001,  0.986076310000000 ]    mass: 32.065000  - symbol: S  # 16    coordinates: [  0.250000000000000,  0.013923690000001,  0.486076310000000 ]    mass: 32.065000  - symbol: S  # 17    coordinates: [  0.013923700000000,  0.486076310000003,  0.250000000000000 ]    mass: 32.065000  - symbol: S  # 18    coordinates: [  0.486076300000000,  0.250000000000002,  0.013923690000000 ]    mass: 32.065000  - symbol: S  # 19    coordinates: [  0.373894410000000,  0.126105580000002,  0.250000000000000 ]    mass: 32.065000  - symbol: S  # 20    coordinates: [  0.250000000000000,  0.373894410000001,  0.126105590000000 ]    mass: 32.065000  - symbol: S  # 21    coordinates: [  0.873894410000000,  0.750000000000000,  0.626105580000000 ]    mass: 32.065000  - symbol: S  # 22    coordinates: [  0.626105590000000,  0.873894420000001,  0.750000000000000 ]    mass: 32.065000  - symbol: S  # 23    coordinates: [  0.750000000000000,  0.626105590000002,  0.873894410000000 ]    mass: 32.065000  - symbol: S  # 24    coordinates: [  0.750000000000000,  0.986076310000002,  0.513923690000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.066524563989027,     0.038407974936049,     0.136487443689529 ] # a*  - [    -0.066524563989027,     0.038407974936049,     0.136487443689529 ] # b*  - [     0.000000000000000,    -0.076815949872099,     0.136487443689529 ] # c*unit_cell:  lattice:  - [    15.032041400000001,     0.000000000000000,     0.000000000000000 ] # a  - [    -7.516020700000000,    13.018129719999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.326681290000000 ] # c  points:  - symbol: B  # 1    coordinates: [  0.784935370000000,  0.451602030000000,  0.583333330000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 2    coordinates: [  0.784935370000000,  0.333333330000000,  0.083333330000000 ]    mass: 10.811000    reduced_to: 2  - symbol: B  # 3    coordinates: [  0.215064630000000,  0.548397970000000,  0.416666670000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 4    coordinates: [  0.000000000000000,  0.881731300000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 4  - symbol: B  # 5    coordinates: [  0.215064630000000,  0.666666670000000,  0.916666670000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 6    coordinates: [  0.000000000000000,  0.118268700000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 6  - symbol: B  # 7    coordinates: [  0.451602030000000,  0.784935370000000,  0.916666670000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 8    coordinates: [  0.451602030000000,  0.666666670000000,  0.416666670000000 ]    mass: 10.811000    reduced_to: 2  - symbol: B  # 9    coordinates: [  0.881731300000000,  0.881731300000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 10    coordinates: [  0.666666670000000,  0.215064630000000,  0.583333330000000 ]    mass: 10.811000    reduced_to: 4  - symbol: B  # 11    coordinates: [  0.881731300000000,  0.000000000000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 12    coordinates: [  0.666666670000000,  0.451602030000000,  0.083333330000000 ]    mass: 10.811000    reduced_to: 6  - symbol: B  # 13    coordinates: [  0.118268700000000,  0.118268700000000,  0.250000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 14    coordinates: [  0.118268700000000,  0.000000000000000,  0.750000000000000 ]    mass: 10.811000    reduced_to: 2  - symbol: B  # 15    coordinates: [  0.548397970000000,  0.215064630000000,  0.083333330000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 16    coordinates: [  0.333333330000000,  0.548397970000000,  0.916666670000000 ]    mass: 10.811000    reduced_to: 4  - symbol: B  # 17    coordinates: [  0.548397970000000,  0.333333330000000,  0.583333330000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 18    coordinates: [  0.333333330000000,  0.784935370000000,  0.416666670000000 ]    mass: 10.811000    reduced_to: 6  - symbol: Na # 19    coordinates: [  0.870819520000000,  0.666666670000000,  0.916666670000000 ]    mass: 22.989769    reduced_to: 19  - symbol: Na # 20    coordinates: [  0.000000000000000,  0.537486190000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 20  - symbol: Na # 21    coordinates: [  0.870819520000000,  0.204152860000000,  0.416666670000000 ]    mass: 22.989769    reduced_to: 21  - symbol: Na # 22    coordinates: [  0.129180480000000,  0.333333330000000,  0.083333330000000 ]    mass: 22.989769    reduced_to: 22  - symbol: Na # 23    coordinates: [  0.129180480000000,  0.795847140000000,  0.583333330000000 ]    mass: 22.989769    reduced_to: 23  - symbol: Na # 24    coordinates: [  0.000000000000000,  0.462513810000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 24  - symbol: Na # 25    coordinates: [  0.537486190000000,  0.000000000000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 19  - symbol: Na # 26    coordinates: [  0.666666670000000,  0.870819520000000,  0.583333330000000 ]    mass: 22.989769    reduced_to: 20  - symbol: Na # 27    coordinates: [  0.537486190000000,  0.537486190000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 21  - symbol: Na # 28    coordinates: [  0.795847140000000,  0.666666670000000,  0.416666670000000 ]    mass: 22.989769    reduced_to: 22  - symbol: Na # 29    coordinates: [  0.795847140000000,  0.129180480000000,  0.916666670000000 ]    mass: 22.989769    reduced_to: 23  - symbol: Na # 30    coordinates: [  0.666666670000000,  0.795847140000000,  0.083333330000000 ]    mass: 22.989769    reduced_to: 24  - symbol: Na # 31    coordinates: [  0.204152860000000,  0.333333330000000,  0.583333330000000 ]    mass: 22.989769    reduced_to: 19  - symbol: Na # 32    coordinates: [  0.333333330000000,  0.204152860000000,  0.916666670000000 ]    mass: 22.989769    reduced_to: 20  - symbol: Na # 33    coordinates: [  0.204152860000000,  0.870819520000000,  0.083333330000000 ]    mass: 22.989769    reduced_to: 21  - symbol: Na # 34    coordinates: [  0.462513810000000,  0.000000000000000,  0.750000000000000 ]    mass: 22.989769    reduced_to: 22  - symbol: Na # 35    coordinates: [  0.462513810000000,  0.462513810000000,  0.250000000000000 ]    mass: 22.989769    reduced_to: 23  - symbol: Na # 36    coordinates: [  0.333333330000000,  0.129180480000000,  0.416666670000000 ]    mass: 22.989769    reduced_to: 24  - symbol: S  # 37    coordinates: [  0.209438920000000,  0.542772250000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 38    coordinates: [  0.902742970000000,  0.333333330000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 38  - symbol: S  # 39    coordinates: [  0.097257030000000,  0.430590360000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 39  - symbol: S  # 40    coordinates: [  0.000000000000000,  0.763923690000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 41    coordinates: [  0.097257030000000,  0.666666670000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 42    coordinates: [  0.902742970000000,  0.569409640000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 42  - symbol: S  # 43    coordinates: [  0.790561080000000,  0.333333330000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 44    coordinates: [  0.000000000000000,  0.123894410000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 44  - symbol: S  # 45    coordinates: [  0.790561080000000,  0.457227750000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 46    coordinates: [  0.209438920000000,  0.666666670000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 47    coordinates: [  0.000000000000000,  0.876105590000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 48    coordinates: [  0.000000000000000,  0.236076310000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 48  - symbol: S  # 49    coordinates: [  0.876105590000000,  0.876105590000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 50    coordinates: [  0.569409640000000,  0.666666670000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 38  - symbol: S  # 51    coordinates: [  0.763923690000000,  0.763923690000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 39  - symbol: S  # 52    coordinates: [  0.666666670000000,  0.097257030000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 53    coordinates: [  0.763923690000000,  0.000000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 54    coordinates: [  0.569409640000000,  0.902742970000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 42  - symbol: S  # 55    coordinates: [  0.457227750000000,  0.666666670000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 56    coordinates: [  0.666666670000000,  0.457227750000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 44  - symbol: S  # 57    coordinates: [  0.457227750000000,  0.790561080000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 58    coordinates: [  0.876105590000000,  0.000000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 59    coordinates: [  0.666666670000000,  0.209438920000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 60    coordinates: [  0.666666670000000,  0.569409640000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 48  - symbol: S  # 61    coordinates: [  0.542772250000000,  0.209438920000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 37  - symbol: S  # 62    coordinates: [  0.236076310000000,  0.000000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 38  - symbol: S  # 63    coordinates: [  0.430590360000000,  0.097257030000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 39  - symbol: S  # 64    coordinates: [  0.333333330000000,  0.430590360000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 40  - symbol: S  # 65    coordinates: [  0.430590360000000,  0.333333330000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 41  - symbol: S  # 66    coordinates: [  0.236076310000000,  0.236076310000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 42  - symbol: S  # 67    coordinates: [  0.123894410000000,  0.000000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 43  - symbol: S  # 68    coordinates: [  0.333333330000000,  0.790561080000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 44  - symbol: S  # 69    coordinates: [  0.123894410000000,  0.123894410000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 45  - symbol: S  # 70    coordinates: [  0.542772250000000,  0.333333330000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 46  - symbol: S  # 71    coordinates: [  0.333333330000000,  0.542772250000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 47  - symbol: S  # 72    coordinates: [  0.333333330000000,  0.902742970000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 48supercell:  lattice:  - [    15.032041400000001,     0.000000000000000,     0.000000000000000 ] # a  - [    -7.516020700000000,    13.018129719999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.653362580000000 ] # c  points:  - symbol: B  # 1    coordinates: [  0.784935370000000,  0.451602030000000,  0.291666665000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 2    coordinates: [  0.784935370000000,  0.451602030000000,  0.791666665000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 3    coordinates: [  0.784935370000000,  0.333333330000000,  0.041666665000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 4    coordinates: [  0.784935370000000,  0.333333330000000,  0.541666665000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 5    coordinates: [  0.215064630000000,  0.548397970000000,  0.208333335000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 6    coordinates: [  0.215064630000000,  0.548397970000000,  0.708333335000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 7    coordinates: [  0.000000000000000,  0.881731300000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 8    coordinates: [  0.000000000000000,  0.881731300000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 9    coordinates: [  0.215064630000000,  0.666666670000000,  0.458333335000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 10    coordinates: [  0.215064630000000,  0.666666670000000,  0.958333335000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 11    coordinates: [  0.000000000000000,  0.118268700000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 11  - symbol: B  # 12    coordinates: [  0.000000000000000,  0.118268700000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 11  - symbol: B  # 13    coordinates: [  0.451602030000000,  0.784935370000000,  0.458333335000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 14    coordinates: [  0.451602030000000,  0.784935370000000,  0.958333335000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 15    coordinates: [  0.451602030000000,  0.666666670000000,  0.208333335000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 16    coordinates: [  0.451602030000000,  0.666666670000000,  0.708333335000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 17    coordinates: [  0.881731300000000,  0.881731300000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 18    coordinates: [  0.881731300000000,  0.881731300000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 19    coordinates: [  0.666666670000000,  0.215064630000000,  0.291666665000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 20    coordinates: [  0.666666670000000,  0.215064630000000,  0.791666665000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 21    coordinates: [  0.881731300000000,  0.000000000000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 22    coordinates: [  0.881731300000000,  0.000000000000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 23    coordinates: [  0.666666670000000,  0.451602030000000,  0.041666665000000 ]    mass: 10.811000    reduced_to: 11  - symbol: B  # 24    coordinates: [  0.666666670000000,  0.451602030000000,  0.541666665000000 ]    mass: 10.811000    reduced_to: 11  - symbol: B  # 25    coordinates: [  0.118268700000000,  0.118268700000000,  0.125000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 26    coordinates: [  0.118268700000000,  0.118268700000000,  0.625000000000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 27    coordinates: [  0.118268700000000,  0.000000000000000,  0.375000000000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 28    coordinates: [  0.118268700000000,  0.000000000000000,  0.875000000000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 29    coordinates: [  0.548397970000000,  0.215064630000000,  0.041666665000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 30    coordinates: [  0.548397970000000,  0.215064630000000,  0.541666665000000 ]    mass: 10.811000    reduced_to: 5  - 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