# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d96a32e8-8dfb-4d44-b9d9-9b0b6f613d5e/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 K2Li3GaO4 / P2_1/c (14) / materials id 17774](https://mdr.nims.go.jp/datasets/bbe1144c-c835-4419-9bea-995215f7b436)

## 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: "P2_1/c"  number: 14  Hall_symbol: "-P 2ybc"supercell_matrix:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     5.525294380000000,     0.000000000000000,    -0.018664630000000 ] # a  - [     0.000000000000000,     8.795620570000001,     0.000000000000000 ] # b  - [    -3.985374080000000,     0.000000000000000,    10.178570860000001 ] # c  points:  - symbol: Li # 1    coordinates: [  0.618639770000000,  0.737987530000000,  0.201039770000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.381360230000000,  0.237987530000000,  0.298960230000000 ]    mass: 6.941000  - symbol: Li # 3    coordinates: [  0.381360230000000,  0.262012470000000,  0.798960230000000 ]    mass: 6.941000  - symbol: Li # 4    coordinates: [  0.618639770000000,  0.762012470000000,  0.701039770000000 ]    mass: 6.941000  - symbol: Li # 5    coordinates: [  0.906923780000000,  0.964545220000000,  0.296906720000000 ]    mass: 6.941000  - symbol: Li # 6    coordinates: [  0.093076220000000,  0.464545220000000,  0.203093280000000 ]    mass: 6.941000  - symbol: Li # 7    coordinates: [  0.093076220000000,  0.035454780000000,  0.703093280000000 ]    mass: 6.941000  - symbol: Li # 8    coordinates: [  0.906923780000000,  0.535454780000000,  0.796906720000000 ]    mass: 6.941000  - symbol: Li # 9    coordinates: [  0.371980660000000,  0.508779690000000,  0.069835690000000 ]    mass: 6.941000  - symbol: Li # 10    coordinates: [  0.628019340000000,  0.008779690000000,  0.430164310000000 ]    mass: 6.941000  - symbol: Li # 11    coordinates: [  0.628019340000000,  0.491220310000000,  0.930164310000000 ]    mass: 6.941000  - symbol: Li # 12    coordinates: [  0.371980660000000,  0.991220310000000,  0.569835690000000 ]    mass: 6.941000  - symbol: O  # 13    coordinates: [  0.253594470000000,  0.676650470000000,  0.142954040000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.746405530000000,  0.176650470000000,  0.357045960000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.746405530000000,  0.323349530000000,  0.857045960000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.253594470000000,  0.823349530000000,  0.642954040000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.767362780000000,  0.810962930000000,  0.380682670000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.232637220000000,  0.310962930000000,  0.119317330000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.232637220000000,  0.189037070000000,  0.619317330000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.767362780000000,  0.689037070000000,  0.880682670000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.782191990000000,  0.890924020000000,  0.114903080000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.217808010000000,  0.390924020000000,  0.385096920000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.217808010000000,  0.109075980000000,  0.885096920000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.782191990000000,  0.609075980000000,  0.614903080000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.741623660000000,  0.948740470000000,  0.623183630000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.258376340000000,  0.448740470000000,  0.876816370000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.258376340000000,  0.051259530000000,  0.376816370000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.741623660000000,  0.551259530000000,  0.123183630000000 ]    mass: 15.999400  - symbol: K  # 29    coordinates: [  0.704378480000000,  0.007639220000000,  0.861413360000000 ]    mass: 39.098300  - symbol: K  # 30    coordinates: [  0.295621520000000,  0.507639220000000,  0.638586640000000 ]    mass: 39.098300  - symbol: K  # 31    coordinates: [  0.295621520000000,  0.992360780000000,  0.138586640000000 ]    mass: 39.098300  - symbol: K  # 32    coordinates: [  0.704378480000000,  0.492360780000000,  0.361413360000000 ]    mass: 39.098300  - symbol: K  # 33    coordinates: [  0.719998750000000,  0.273328240000000,  0.607946790000000 ]    mass: 39.098300  - symbol: K  # 34    coordinates: [  0.280001250000000,  0.773328240000000,  0.892053210000000 ]    mass: 39.098300  - symbol: K  # 35    coordinates: [  0.280001250000000,  0.726671760000000,  0.392053210000000 ]    mass: 39.098300  - symbol: K  # 36    coordinates: [  0.719998750000000,  0.226671760000000,  0.107946790000000 ]    mass: 39.098300  - symbol: Ga # 37    coordinates: [  0.898228350000000,  0.711306860000000,  0.063271110000000 ]    mass: 69.723000  - symbol: Ga # 38    coordinates: [  0.101771650000000,  0.211306860000000,  0.436728890000000 ]    mass: 69.723000  - symbol: Ga # 39    coordinates: [  0.101771650000000,  0.288693140000000,  0.936728890000000 ]    mass: 69.723000  - symbol: Ga # 40    coordinates: [  0.898228350000000,  0.788693140000000,  0.563271110000000 ]    mass: 69.723000  reciprocal_lattice: # without 2pi  - [     0.181225530599621,     0.000000000000000,     0.070958049240910 ] # a*  - [     0.000000000000000,     0.113692944351282,     0.000000000000000 ] # b*  - [     0.000332316542442,     0.000000000000000,     0.098375736584950 ] # c*unit_cell:  lattice:  - [     5.525294380000000,     0.000000000000000,    -0.018664630000000 ] # a  - [     0.000000000000000,     8.795620570000001,     0.000000000000000 ] # b  - [    -3.985374080000000,     0.000000000000000,    10.178570860000001 ] # c  points:  - symbol: Li # 1    coordinates: [  0.618639770000000,  0.737987530000000,  0.201039770000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.381360230000000,  0.237987530000000,  0.298960230000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.381360230000000,  0.262012470000000,  0.798960230000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.618639770000000,  0.762012470000000,  0.701039770000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 5    coordinates: [  0.906923780000000,  0.964545220000000,  0.296906720000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 6    coordinates: [  0.093076220000000,  0.464545220000000,  0.203093280000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 7    coordinates: [  0.093076220000000,  0.035454780000000,  0.703093280000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 8    coordinates: [  0.906923780000000,  0.535454780000000,  0.796906720000000 ]    mass: 6.941000    reduced_to: 8  - symbol: Li # 9    coordinates: [  0.371980660000000,  0.508779690000000,  0.069835690000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 10    coordinates: [  0.628019340000000,  0.008779690000000,  0.430164310000000 ]    mass: 6.941000    reduced_to: 10  - symbol: Li # 11    coordinates: [  0.628019340000000,  0.491220310000000,  0.930164310000000 ]    mass: 6.941000    reduced_to: 11  - symbol: Li # 12    coordinates: [  0.371980660000000,  0.991220310000000,  0.569835690000000 ]    mass: 6.941000    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.253594470000000,  0.676650470000000,  0.142954040000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.746405530000000,  0.176650470000000,  0.357045960000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.746405530000000,  0.323349530000000,  0.857045960000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.253594470000000,  0.823349530000000,  0.642954040000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.767362780000000,  0.810962930000000,  0.380682670000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.232637220000000,  0.310962930000000,  0.119317330000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.232637220000000,  0.189037070000000,  0.619317330000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.767362780000000,  0.689037070000000,  0.880682670000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.782191990000000,  0.890924020000000,  0.114903080000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.217808010000000,  0.390924020000000,  0.385096920000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.217808010000000,  0.109075980000000,  0.885096920000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.782191990000000,  0.609075980000000,  0.614903080000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.741623660000000,  0.948740470000000,  0.623183630000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.258376340000000,  0.448740470000000,  0.876816370000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.258376340000000,  0.051259530000000,  0.376816370000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.741623660000000,  0.551259530000000,  0.123183630000000 ]    mass: 15.999400    reduced_to: 28  - symbol: K  # 29    coordinates: [  0.704378480000000,  0.007639220000000,  0.861413360000000 ]    mass: 39.098300    reduced_to: 29  - symbol: K  # 30    coordinates: [  0.295621520000000,  0.507639220000000,  0.638586640000000 ]    mass: 39.098300    reduced_to: 30  - symbol: K  # 31    coordinates: [  0.295621520000000,  0.992360780000000,  0.138586640000000 ]    mass: 39.098300    reduced_to: 31  - symbol: K  # 32    coordinates: [  0.704378480000000,  0.492360780000000,  0.361413360000000 ]    mass: 39.098300    reduced_to: 32  - symbol: K  # 33    coordinates: [  0.719998750000000,  0.273328240000000,  0.607946790000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 34    coordinates: [  0.280001250000000,  0.773328240000000,  0.892053210000000 ]    mass: 39.098300    reduced_to: 34  - symbol: K  # 35    coordinates: [  0.280001250000000,  0.726671760000000,  0.392053210000000 ]    mass: 39.098300    reduced_to: 35  - symbol: K  # 36    coordinates: [  0.719998750000000,  0.226671760000000,  0.107946790000000 ]    mass: 39.098300    reduced_to: 36  - symbol: Ga # 37    coordinates: [  0.898228350000000,  0.711306860000000,  0.063271110000000 ]    mass: 69.723000    reduced_to: 37  - symbol: Ga # 38    coordinates: [  0.101771650000000,  0.211306860000000,  0.436728890000000 ]    mass: 69.723000    reduced_to: 38  - symbol: Ga # 39    coordinates: [  0.101771650000000,  0.288693140000000,  0.936728890000000 ]    mass: 69.723000    reduced_to: 39  - symbol: Ga # 40    coordinates: [  0.898228350000000,  0.788693140000000,  0.563271110000000 ]    mass: 69.723000    reduced_to: 40supercell:  lattice:  - [    11.050588760000000,     0.000000000000000,    -0.037329260000000 ] # a  - [     0.000000000000000,     8.795620570000001,     0.000000000000000 ] # b  - [    -3.985374080000000,     0.000000000000000,    10.178570860000001 ] # c  points:  - symbol: Li # 1    coordinates: [  0.309319885000000,  0.737987530000000,  0.201039770000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.809319885000000,  0.737987530000000,  0.201039770000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 3    coordinates: [  0.190680115000000,  0.237987530000000,  0.298960230000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.690680115000000,  0.237987530000000,  0.298960230000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 5    coordinates: [  0.190680115000000,  0.262012470000000,  0.798960230000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 6    coordinates: [  0.690680115000000,  0.262012470000000,  0.798960230000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 7    coordinates: [  0.309319885000000,  0.762012470000000,  0.701039770000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 8    coordinates: [  0.809319885000000,  0.762012470000000,  0.701039770000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 9    coordinates: [  0.453461890000000,  0.964545220000000,  0.296906720000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 10    coordinates: [  0.953461890000000,  0.964545220000000,  0.296906720000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 11    coordinates: [  0.046538110000000,  0.464545220000000,  0.203093280000000 ]    mass: 6.941000    reduced_to: 11  - symbol: Li # 12    coordinates: [  0.546538110000000,  0.464545220000000,  0.203093280000000 ]    mass: 6.941000    reduced_to: 11  - symbol: Li # 13    coordinates: [  0.046538110000000,  0.035454780000000,  0.703093280000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 14    coordinates: [  0.546538110000000,  0.035454780000000,  0.703093280000000 ]    mass: 6.941000    reduced_to: 13  - symbol: Li # 15    coordinates: [  0.453461890000000,  0.535454780000000,  0.796906720000000 ]    mass: 6.941000    reduced_to: 15  - symbol: Li # 16    coordinates: [  0.953461890000000,  0.535454780000000,  0.796906720000000 ]    mass: 6.941000    reduced_to: 15  - symbol: Li # 17    coordinates: [  0.185990330000000,  0.508779690000000,  0.069835690000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 18    coordinates: [  0.685990330000000,  0.508779690000000,  0.069835690000000 ]    mass: 6.941000    reduced_to: 17  - symbol: Li # 19    coordinates: [  0.314009670000000,  0.008779690000000,  0.430164310000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 20    coordinates: [  0.814009670000000,  0.008779690000000,  0.430164310000000 ]    mass: 6.941000    reduced_to: 19  - symbol: Li # 21    coordinates: [  0.314009670000000,  0.491220310000000,  0.930164310000000 ]    mass: 6.941000    reduced_to: 21  - symbol: Li # 22    coordinates: [  0.814009670000000,  0.491220310000000,  0.930164310000000 ]    mass: 6.941000    reduced_to: 21  - symbol: Li # 23    coordinates: [  0.185990330000000,  0.991220310000000,  0.569835690000000 ]    mass: 6.941000    reduced_to: 23  - symbol: Li # 24    coordinates: [  0.685990330000000,  0.991220310000000,  0.569835690000000 ]    mass: 6.941000    reduced_to: 23  - symbol: O  # 25    coordinates: [  0.126797235000000,  0.676650470000000,  0.142954040000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.626797235000000,  0.676650470000000,  0.142954040000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.373202765000000,  0.176650470000000,  0.357045960000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.873202765000000,  0.176650470000000,  0.357045960000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 29    coordinates: [  0.373202765000000,  0.323349530000000,  0.857045960000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.873202765000000,  0.323349530000000,  0.857045960000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.126797235000000,  0.823349530000000,  0.642954040000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.626797235000000,  0.823349530000000,  0.642954040000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 33    coordinates: [  0.383681390000000,  0.810962930000000,  0.380682670000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.883681390000000,  0.810962930000000,  0.380682670000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.116318610000000,  0.310962930000000,  0.119317330000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.616318610000000,  0.310962930000000,  0.119317330000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 37    coordinates: [  0.116318610000000,  0.189037070000000,  0.619317330000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.616318610000000,  0.189037070000000,  0.619317330000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.383681390000000,  0.689037070000000,  0.880682670000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.883681390000000,  0.689037070000000,  0.880682670000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 41    coordinates: [  0.391095995000000,  0.890924020000000,  0.114903080000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.891095995000000,  0.890924020000000,  0.114903080000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.108904005000000,  0.390924020000000,  0.385096920000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.608904005000000,  0.390924020000000,  0.385096920000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.108904005000000,  0.109075980000000,  0.885096920000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.608904005000000,  0.109075980000000,  0.885096920000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.391095995000000,  0.609075980000000,  0.614903080000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.891095995000000,  0.609075980000000,  0.614903080000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 49    coordinates: [  0.370811830000000,  0.948740470000000,  0.623183630000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.870811830000000,  0.948740470000000,  0.623183630000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.129188170000000,  0.448740470000000,  0.876816370000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 52    coordinates: [  0.629188170000000,  0.448740470000000,  0.876816370000000 ]    mass: 15.999400    reduced_to: 51  - symbol: O  # 53    coordinates: [  0.129188170000000,  0.051259530000000,  0.376816370000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.629188170000000,  0.051259530000000,  0.376816370000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 55    coordinates: [  0.370811830000000,  0.551259530000000,  0.123183630000000 ]    mass: 15.999400    reduced_to: 55  - symbol: O  # 56    coordinates: [  0.870811830000000,  0.551259530000000,  0.123183630000000 ]    mass: 15.999400    reduced_to: 55  - symbol: K  # 57    coordinates: [  0.352189240000000,  0.007639220000000,  0.861413360000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 58    coordinates: [  0.852189240000000,  0.007639220000000,  0.861413360000000 ]    mass: 39.098300    reduced_to: 57  - symbol: K  # 59    coordinates: [  0.147810760000000,  0.507639220000000,  0.638586640000000 ]    mass: 39.098300    reduced_to: 59  - symbol: K  # 60    coordinates: [  0.647810760000000,  0.507639220000000,  0.638586640000000 ]    mass: 39.098300    reduced_to: 59  - symbol: K  # 61    coordinates: [  0.147810760000000,  0.992360780000000,  0.138586640000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 62    coordinates: [  0.647810760000000,  0.992360780000000,  0.138586640000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 63    coordinates: [  0.352189240000000,  0.492360780000000,  0.361413360000000 ]    mass: 39.098300    reduced_to: 63  - symbol: K  # 64    coordinates: [  0.852189240000000,  0.492360780000000,  0.361413360000000 ]    mass: 39.098300    reduced_to: 63  - symbol: K  # 65    coordinates: [  0.359999375000000,  0.273328240000000,  0.607946790000000 ]    mass: 39.098300    reduced_to: 65  - symbol: K  # 66    coordinates: [  0.859999375000000,  0.273328240000000,  0.607946790000000 ]    mass: 39.098300    reduced_to: 65  - 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