# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/441dde36-68b9-481e-a621-3b02b2cb753e/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 SrSi2(BO4)2 / Pnma (62) / materials id 6032](https://mdr.nims.go.jp/datasets/00b9a60d-2eb2-483c-a53a-de7575471986)

## 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: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"supercell_matrix:- [   1,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     8.187006930000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.919487910000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.949990110000000 ] # c  points:  - symbol: B  # 1    coordinates: [  0.735686170000000,  0.918634280000000,  0.916200260000000 ]    mass: 10.811000  - symbol: B  # 2    coordinates: [  0.235686170000000,  0.918634280000000,  0.583799740000000 ]    mass: 10.811000  - symbol: B  # 3    coordinates: [  0.764313830000000,  0.418634280000000,  0.416200260000000 ]    mass: 10.811000  - symbol: B  # 4    coordinates: [  0.735686170000000,  0.581365720000000,  0.916200260000000 ]    mass: 10.811000  - symbol: B  # 5    coordinates: [  0.264313830000000,  0.081365720000000,  0.083799740000000 ]    mass: 10.811000  - symbol: B  # 6    coordinates: [  0.264313830000000,  0.418634280000000,  0.083799740000000 ]    mass: 10.811000  - symbol: B  # 7    coordinates: [  0.235686170000000,  0.581365720000000,  0.583799740000000 ]    mass: 10.811000  - symbol: B  # 8    coordinates: [  0.764313830000000,  0.081365720000000,  0.416200260000000 ]    mass: 10.811000  - symbol: O  # 9    coordinates: [  0.694552710000000,  0.250000000000000,  0.417311820000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.805447290000000,  0.750000000000000,  0.917311820000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.194552710000000,  0.250000000000000,  0.082688180000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.305447290000000,  0.750000000000000,  0.582688180000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.992607030000000,  0.750000000000000,  0.328390810000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.007392970000000,  0.250000000000000,  0.671609190000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.492607030000000,  0.750000000000000,  0.171609190000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.507392970000000,  0.250000000000000,  0.828390810000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.092278460000000,  0.926064080000000,  0.681078740000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.907721540000000,  0.426064080000000,  0.318921260000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.592278460000000,  0.573935920000000,  0.818921260000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.407721540000000,  0.073935920000000,  0.181078740000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.801466850000000,  0.012540840000000,  0.566720050000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.198533150000000,  0.512540840000000,  0.433279950000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.301466850000000,  0.487459160000000,  0.933279950000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.698533150000000,  0.987459160000000,  0.066720050000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.198533150000000,  0.987459160000000,  0.433279950000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.801466850000000,  0.487459160000000,  0.566720050000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.698533150000000,  0.512540840000000,  0.066720050000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.301466850000000,  0.012540840000000,  0.933279950000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.867005810000000,  0.035513480000000,  0.860250580000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.132994190000000,  0.535513480000000,  0.139749420000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.367005810000000,  0.464486520000000,  0.639749420000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.632994190000000,  0.964486520000000,  0.360250580000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.132994190000000,  0.964486520000000,  0.139749420000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.867005810000000,  0.464486520000000,  0.860250580000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.632994190000000,  0.535513480000000,  0.360250580000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.367005810000000,  0.035513480000000,  0.639749420000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.592278460000000,  0.926064080000000,  0.818921260000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.407721540000000,  0.426064080000000,  0.181078740000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.092278460000000,  0.573935920000000,  0.681078740000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.907721540000000,  0.073935920000000,  0.318921260000000 ]    mass: 15.999400  - symbol: Si # 41    coordinates: [  0.439987080000000,  0.057421830000000,  0.808912140000000 ]    mass: 28.085500  - symbol: Si # 42    coordinates: [  0.560012920000000,  0.557421830000000,  0.191087860000000 ]    mass: 28.085500  - symbol: Si # 43    coordinates: [  0.939987080000000,  0.442578170000000,  0.691087860000000 ]    mass: 28.085500  - symbol: Si # 44    coordinates: [  0.060012920000000,  0.942578170000000,  0.308912140000000 ]    mass: 28.085500  - symbol: Si # 45    coordinates: [  0.560012920000000,  0.942578170000000,  0.191087860000000 ]    mass: 28.085500  - symbol: Si # 46    coordinates: [  0.439987080000000,  0.442578170000000,  0.808912140000000 ]    mass: 28.085500  - symbol: Si # 47    coordinates: [  0.060012920000000,  0.557421830000000,  0.308912140000000 ]    mass: 28.085500  - symbol: Si # 48    coordinates: [  0.939987080000000,  0.057421830000000,  0.691087860000000 ]    mass: 28.085500  - symbol: Sr # 49    coordinates: [  0.888819640000000,  0.250000000000000,  0.077297120000000 ]    mass: 87.620000  - symbol: Sr # 50    coordinates: [  0.111180360000000,  0.750000000000000,  0.922702880000000 ]    mass: 87.620000  - symbol: Sr # 51    coordinates: [  0.388819640000000,  0.250000000000000,  0.422702880000000 ]    mass: 87.620000  - symbol: Sr # 52    coordinates: [  0.611180360000000,  0.750000000000000,  0.577297120000000 ]    mass: 87.620000  reciprocal_lattice: # without 2pi  - [     0.122144760417346,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.126270790657726,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.111731967042364 ] # c*unit_cell:  lattice:  - [     8.187006930000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.919487910000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.949990110000000 ] # c  points:  - symbol: B  # 1    coordinates: [  0.735686170000000,  0.918634280000000,  0.916200260000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 2    coordinates: [  0.235686170000000,  0.918634280000000,  0.583799740000000 ]    mass: 10.811000    reduced_to: 2  - symbol: B  # 3    coordinates: [  0.764313830000000,  0.418634280000000,  0.416200260000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 4    coordinates: [  0.735686170000000,  0.581365720000000,  0.916200260000000 ]    mass: 10.811000    reduced_to: 4  - symbol: B  # 5    coordinates: [  0.264313830000000,  0.081365720000000,  0.083799740000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 6    coordinates: [  0.264313830000000,  0.418634280000000,  0.083799740000000 ]    mass: 10.811000    reduced_to: 6  - symbol: B  # 7    coordinates: [  0.235686170000000,  0.581365720000000,  0.583799740000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 8    coordinates: [  0.764313830000000,  0.081365720000000,  0.416200260000000 ]    mass: 10.811000    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.694552710000000,  0.250000000000000,  0.417311820000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.805447290000000,  0.750000000000000,  0.917311820000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.194552710000000,  0.250000000000000,  0.082688180000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.305447290000000,  0.750000000000000,  0.582688180000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.992607030000000,  0.750000000000000,  0.328390810000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.007392970000000,  0.250000000000000,  0.671609190000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.492607030000000,  0.750000000000000,  0.171609190000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.507392970000000,  0.250000000000000,  0.828390810000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.092278460000000,  0.926064080000000,  0.681078740000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.907721540000000,  0.426064080000000,  0.318921260000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.592278460000000,  0.573935920000000,  0.818921260000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.407721540000000,  0.073935920000000,  0.181078740000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.801466850000000,  0.012540840000000,  0.566720050000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.198533150000000,  0.512540840000000,  0.433279950000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.301466850000000,  0.487459160000000,  0.933279950000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.698533150000000,  0.987459160000000,  0.066720050000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.198533150000000,  0.987459160000000,  0.433279950000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.801466850000000,  0.487459160000000,  0.566720050000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.698533150000000,  0.512540840000000,  0.066720050000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.301466850000000,  0.012540840000000,  0.933279950000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.867005810000000,  0.035513480000000,  0.860250580000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.132994190000000,  0.535513480000000,  0.139749420000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.367005810000000,  0.464486520000000,  0.639749420000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.632994190000000,  0.964486520000000,  0.360250580000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.132994190000000,  0.964486520000000,  0.139749420000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.867005810000000,  0.464486520000000,  0.860250580000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.632994190000000,  0.535513480000000,  0.360250580000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.367005810000000,  0.035513480000000,  0.639749420000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.592278460000000,  0.926064080000000,  0.818921260000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.407721540000000,  0.426064080000000,  0.181078740000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.092278460000000,  0.573935920000000,  0.681078740000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.907721540000000,  0.073935920000000,  0.318921260000000 ]    mass: 15.999400    reduced_to: 40  - symbol: Si # 41    coordinates: [  0.439987080000000,  0.057421830000000,  0.808912140000000 ]    mass: 28.085500    reduced_to: 41  - symbol: Si # 42    coordinates: [  0.560012920000000,  0.557421830000000,  0.191087860000000 ]    mass: 28.085500    reduced_to: 42  - symbol: Si # 43    coordinates: [  0.939987080000000,  0.442578170000000,  0.691087860000000 ]    mass: 28.085500    reduced_to: 43  - symbol: Si # 44    coordinates: [  0.060012920000000,  0.942578170000000,  0.308912140000000 ]    mass: 28.085500    reduced_to: 44  - symbol: Si # 45    coordinates: [  0.560012920000000,  0.942578170000000,  0.191087860000000 ]    mass: 28.085500    reduced_to: 45  - symbol: Si # 46    coordinates: [  0.439987080000000,  0.442578170000000,  0.808912140000000 ]    mass: 28.085500    reduced_to: 46  - symbol: Si # 47    coordinates: [  0.060012920000000,  0.557421830000000,  0.308912140000000 ]    mass: 28.085500    reduced_to: 47  - symbol: Si # 48    coordinates: [  0.939987080000000,  0.057421830000000,  0.691087860000000 ]    mass: 28.085500    reduced_to: 48  - symbol: Sr # 49    coordinates: [  0.888819640000000,  0.250000000000000,  0.077297120000000 ]    mass: 87.620000    reduced_to: 49  - symbol: Sr # 50    coordinates: [  0.111180360000000,  0.750000000000000,  0.922702880000000 ]    mass: 87.620000    reduced_to: 50  - symbol: Sr # 51    coordinates: [  0.388819640000000,  0.250000000000000,  0.422702880000000 ]    mass: 87.620000    reduced_to: 51  - symbol: Sr # 52    coordinates: [  0.611180360000000,  0.750000000000000,  0.577297120000000 ]    mass: 87.620000    reduced_to: 52supercell:  lattice:  - [     8.187006930000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    15.838975820000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     8.949990110000000 ] # c  points:  - symbol: B  # 1    coordinates: [  0.735686170000000,  0.459317140000000,  0.916200260000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 2    coordinates: [  0.735686170000000,  0.959317140000000,  0.916200260000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 3    coordinates: [  0.235686170000000,  0.459317140000000,  0.583799740000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 4    coordinates: [  0.235686170000000,  0.959317140000000,  0.583799740000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 5    coordinates: [  0.764313830000000,  0.209317140000000,  0.416200260000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 6    coordinates: [  0.764313830000000,  0.709317140000000,  0.416200260000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 7    coordinates: [  0.735686170000000,  0.290682860000000,  0.916200260000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 8    coordinates: [  0.735686170000000,  0.790682860000000,  0.916200260000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 9    coordinates: [  0.264313830000000,  0.040682860000000,  0.083799740000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 10    coordinates: [  0.264313830000000,  0.540682860000000,  0.083799740000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 11    coordinates: [  0.264313830000000,  0.209317140000000,  0.083799740000000 ]    mass: 10.811000    reduced_to: 11  - symbol: B  # 12    coordinates: [  0.264313830000000,  0.709317140000000,  0.083799740000000 ]    mass: 10.811000    reduced_to: 11  - symbol: B  # 13    coordinates: [  0.235686170000000,  0.290682860000000,  0.583799740000000 ]    mass: 10.811000    reduced_to: 13  - symbol: B  # 14    coordinates: [  0.235686170000000,  0.790682860000000,  0.583799740000000 ]    mass: 10.811000    reduced_to: 13  - symbol: B  # 15    coordinates: [  0.764313830000000,  0.040682860000000,  0.416200260000000 ]    mass: 10.811000    reduced_to: 15  - symbol: B  # 16    coordinates: [  0.764313830000000,  0.540682860000000,  0.416200260000000 ]    mass: 10.811000    reduced_to: 15  - symbol: O  # 17    coordinates: [  0.694552710000000,  0.125000000000000,  0.417311820000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.694552710000000,  0.625000000000000,  0.417311820000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 19    coordinates: [  0.805447290000000,  0.375000000000000,  0.917311820000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.805447290000000,  0.875000000000000,  0.917311820000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 21    coordinates: [  0.194552710000000,  0.125000000000000,  0.082688180000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.194552710000000,  0.625000000000000,  0.082688180000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 23    coordinates: [  0.305447290000000,  0.375000000000000,  0.582688180000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.305447290000000,  0.875000000000000,  0.582688180000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 25    coordinates: [  0.992607030000000,  0.375000000000000,  0.328390810000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.992607030000000,  0.875000000000000,  0.328390810000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.007392970000000,  0.125000000000000,  0.671609190000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.007392970000000,  0.625000000000000,  0.671609190000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 29    coordinates: [  0.492607030000000,  0.375000000000000,  0.171609190000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.492607030000000,  0.875000000000000,  0.171609190000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.507392970000000,  0.125000000000000,  0.828390810000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.507392970000000,  0.625000000000000,  0.828390810000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 33    coordinates: [  0.092278460000000,  0.463032040000000,  0.681078740000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.092278460000000,  0.963032040000000,  0.681078740000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.907721540000000,  0.213032040000000,  0.318921260000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.907721540000000,  0.713032040000000,  0.318921260000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 37    coordinates: [  0.592278460000000,  0.286967960000000,  0.818921260000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.592278460000000,  0.786967960000000,  0.818921260000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.407721540000000,  0.036967960000000,  0.181078740000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.407721540000000,  0.536967960000000,  0.181078740000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 41    coordinates: [  0.801466850000000,  0.006270420000000,  0.566720050000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.801466850000000,  0.506270420000000,  0.566720050000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.198533150000000,  0.256270420000000,  0.433279950000000 ]    mass: 15.999400    reduced_to: 43  - 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