# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c375c9ff-fb4a-472c-9e71-a8b273d3d27e/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 Sr4Al14O25 / Pmma (51) / materials id 5512](https://mdr.nims.go.jp/datasets/cde6f8b0-09bd-4e4a-9026-eb36e5f9f97b)

## 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: "Pmma"  number: 51  Hall_symbol: "-P 2a 2a"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    24.745504050000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.503336210000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.891616490000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.750000000000000,  0.500000000000000,  0.108761540000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.250000000000000,  0.500000000000000,  0.891238460000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.456802690000000,  0.662977520000000,  0.150663630000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.043197310000000,  0.337022480000000,  0.150663630000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.543197310000000,  0.662977520000000,  0.849336370000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.956802690000000,  0.337022480000000,  0.849336370000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.543197310000000,  0.337022480000000,  0.849336370000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.956802690000000,  0.662977520000000,  0.849336370000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.456802690000000,  0.337022480000000,  0.150663630000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.043197310000000,  0.662977520000000,  0.150663630000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.664904720000000,  0.000000000000000,  0.577484820000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.835095280000000,  0.000000000000000,  0.577484820000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.335095280000000,  0.000000000000000,  0.422515180000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.164904720000000,  0.000000000000000,  0.422515180000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.549513720000000,  0.500000000000000,  0.323629140000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.950486280000000,  0.500000000000000,  0.323629140000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.450486280000000,  0.500000000000000,  0.676370860000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.049513720000000,  0.500000000000000,  0.676370860000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.539204540000000,  0.000000000000000,  0.828845800000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.960795460000000,  0.000000000000000,  0.828845800000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.460795460000000,  0.000000000000000,  0.171154200000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.039204540000000,  0.000000000000000,  0.171154200000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.750000000000000,  0.231231050000000,  0.476716050000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.750000000000000,  0.768768950000000,  0.476716050000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.250000000000000,  0.231231050000000,  0.523283950000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.250000000000000,  0.768768950000000,  0.523283950000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.310253740000000,  0.772302320000000,  0.019292770000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.189746260000000,  0.227697680000000,  0.019292770000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.689746260000000,  0.772302320000000,  0.980707230000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.810253740000000,  0.227697680000000,  0.980707230000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.689746260000000,  0.227697680000000,  0.980707230000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.810253740000000,  0.772302320000000,  0.980707230000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.310253740000000,  0.227697680000000,  0.019292770000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.189746260000000,  0.772302320000000,  0.019292770000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.362894180000000,  0.674876310000000,  0.502136110000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.137105820000000,  0.325123690000000,  0.502136110000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.043061020000000,  0.841324160000000,  0.677438430000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.456938980000000,  0.158675840000000,  0.677438430000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.956938980000000,  0.841324160000000,  0.322561570000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.543061020000000,  0.158675840000000,  0.322561570000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.956938980000000,  0.158675840000000,  0.322561570000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.543061020000000,  0.841324160000000,  0.322561570000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.043061020000000,  0.158675840000000,  0.677438430000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.456938980000000,  0.841324160000000,  0.677438430000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.137105820000000,  0.674876310000000,  0.502136110000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.362894180000000,  0.325123690000000,  0.502136110000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.862894180000000,  0.674876310000000,  0.497863890000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.637105820000000,  0.325123690000000,  0.497863890000000 ]    mass: 15.999400  - symbol: O  # 49    coordinates: [  0.862894180000000,  0.325123690000000,  0.497863890000000 ]    mass: 15.999400  - symbol: O  # 50    coordinates: [  0.637105820000000,  0.674876310000000,  0.497863890000000 ]    mass: 15.999400  - symbol: Al # 51    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 26.981539  - symbol: Al # 52    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 26.981539  - symbol: Al # 53    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539  - symbol: Al # 54    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539  - symbol: Al # 55    coordinates: [  0.500000000000000,  0.832466480000000,  0.000000000000000 ]    mass: 26.981539  - symbol: Al # 56    coordinates: [  0.000000000000000,  0.167533520000000,  0.000000000000000 ]    mass: 26.981539  - symbol: Al # 57    coordinates: [  0.500000000000000,  0.167533520000000,  0.000000000000000 ]    mass: 26.981539  - symbol: Al # 58    coordinates: [  0.000000000000000,  0.832466480000000,  0.000000000000000 ]    mass: 26.981539  - symbol: Al # 59    coordinates: [  0.750000000000000,  0.296094150000000,  0.129604660000000 ]    mass: 26.981539  - symbol: Al # 60    coordinates: [  0.750000000000000,  0.703905850000000,  0.129604660000000 ]    mass: 26.981539  - symbol: Al # 61    coordinates: [  0.250000000000000,  0.296094150000000,  0.870395340000000 ]    mass: 26.981539  - symbol: Al # 62    coordinates: [  0.250000000000000,  0.703905850000000,  0.870395340000000 ]    mass: 26.981539  - symbol: Al # 63    coordinates: [  0.433916380000000,  0.677812290000000,  0.493230180000000 ]    mass: 26.981539  - symbol: Al # 64    coordinates: [  0.066083620000000,  0.322187710000000,  0.493230180000000 ]    mass: 26.981539  - symbol: Al # 65    coordinates: [  0.566083620000000,  0.677812290000000,  0.506769820000000 ]    mass: 26.981539  - symbol: Al # 66    coordinates: [  0.933916380000000,  0.322187710000000,  0.506769820000000 ]    mass: 26.981539  - symbol: Al # 67    coordinates: [  0.566083620000000,  0.322187710000000,  0.506769820000000 ]    mass: 26.981539  - symbol: Al # 68    coordinates: [  0.933916380000000,  0.677812290000000,  0.506769820000000 ]    mass: 26.981539  - symbol: Al # 69    coordinates: [  0.433916380000000,  0.322187710000000,  0.493230180000000 ]    mass: 26.981539  - symbol: Al # 70    coordinates: [  0.066083620000000,  0.677812290000000,  0.493230180000000 ]    mass: 26.981539  - symbol: Al # 71    coordinates: [  0.314871350000000,  0.805161160000000,  0.374151770000000 ]    mass: 26.981539  - symbol: Al # 72    coordinates: [  0.185128650000000,  0.194838840000000,  0.374151770000000 ]    mass: 26.981539  - symbol: Al # 73    coordinates: [  0.685128650000000,  0.805161160000000,  0.625848230000000 ]    mass: 26.981539  - symbol: Al # 74    coordinates: [  0.814871350000000,  0.194838840000000,  0.625848230000000 ]    mass: 26.981539  - symbol: Al # 75    coordinates: [  0.685128650000000,  0.194838840000000,  0.625848230000000 ]    mass: 26.981539  - symbol: Al # 76    coordinates: [  0.814871350000000,  0.805161160000000,  0.625848230000000 ]    mass: 26.981539  - symbol: Al # 77    coordinates: [  0.314871350000000,  0.194838840000000,  0.374151770000000 ]    mass: 26.981539  - symbol: Al # 78    coordinates: [  0.185128650000000,  0.805161160000000,  0.374151770000000 ]    mass: 26.981539  - symbol: Sr # 79    coordinates: [  0.620465410000000,  0.000000000000000,  0.111353590000000 ]    mass: 87.620000  - symbol: Sr # 80    coordinates: [  0.879534590000000,  0.000000000000000,  0.111353590000000 ]    mass: 87.620000  - symbol: Sr # 81    coordinates: [  0.379534590000000,  0.000000000000000,  0.888646410000000 ]    mass: 87.620000  - symbol: Sr # 82    coordinates: [  0.120465410000000,  0.000000000000000,  0.888646410000000 ]    mass: 87.620000  - symbol: Sr # 83    coordinates: [  0.638172080000000,  0.500000000000000,  0.039778140000000 ]    mass: 87.620000  - symbol: Sr # 84    coordinates: [  0.861827920000000,  0.500000000000000,  0.039778140000000 ]    mass: 87.620000  - symbol: Sr # 85    coordinates: [  0.361827920000000,  0.500000000000000,  0.960221860000000 ]    mass: 87.620000  - symbol: Sr # 86    coordinates: [  0.138172080000000,  0.500000000000000,  0.960221860000000 ]    mass: 87.620000  reciprocal_lattice: # without 2pi  - [     0.040411381315144,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.117600901023294,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.204431398504833 ] # c*unit_cell:  lattice:  - [    24.745504050000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     8.503336210000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.891616490000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.750000000000000,  0.500000000000000,  0.108761540000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.250000000000000,  0.500000000000000,  0.891238460000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.456802690000000,  0.662977520000000,  0.150663630000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.043197310000000,  0.337022480000000,  0.150663630000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.543197310000000,  0.662977520000000,  0.849336370000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.956802690000000,  0.337022480000000,  0.849336370000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.543197310000000,  0.337022480000000,  0.849336370000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.956802690000000,  0.662977520000000,  0.849336370000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.456802690000000,  0.337022480000000,  0.150663630000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.043197310000000,  0.662977520000000,  0.150663630000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.664904720000000,  0.000000000000000,  0.577484820000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.835095280000000,  0.000000000000000,  0.577484820000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.335095280000000,  0.000000000000000,  0.422515180000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.164904720000000,  0.000000000000000,  0.422515180000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.549513720000000,  0.500000000000000,  0.323629140000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.950486280000000,  0.500000000000000,  0.323629140000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.450486280000000,  0.500000000000000,  0.676370860000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.049513720000000,  0.500000000000000,  0.676370860000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.539204540000000,  0.000000000000000,  0.828845800000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.960795460000000,  0.000000000000000,  0.828845800000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.460795460000000,  0.000000000000000,  0.171154200000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.039204540000000,  0.000000000000000,  0.171154200000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.750000000000000,  0.231231050000000,  0.476716050000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.750000000000000,  0.768768950000000,  0.476716050000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.250000000000000,  0.231231050000000,  0.523283950000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.250000000000000,  0.768768950000000,  0.523283950000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.310253740000000,  0.772302320000000,  0.019292770000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.189746260000000,  0.227697680000000,  0.019292770000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.689746260000000,  0.772302320000000,  0.980707230000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.810253740000000,  0.227697680000000,  0.980707230000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.689746260000000,  0.227697680000000,  0.980707230000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.810253740000000,  0.772302320000000,  0.980707230000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.310253740000000,  0.227697680000000,  0.019292770000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.189746260000000,  0.772302320000000,  0.019292770000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.362894180000000,  0.674876310000000,  0.502136110000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.137105820000000,  0.325123690000000,  0.502136110000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.043061020000000,  0.841324160000000,  0.677438430000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.456938980000000,  0.158675840000000,  0.677438430000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.956938980000000,  0.841324160000000,  0.322561570000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.543061020000000,  0.158675840000000,  0.322561570000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.956938980000000,  0.158675840000000,  0.322561570000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.543061020000000,  0.841324160000000,  0.322561570000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.043061020000000,  0.158675840000000,  0.677438430000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.456938980000000,  0.841324160000000,  0.677438430000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.137105820000000,  0.674876310000000,  0.502136110000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.362894180000000,  0.325123690000000,  0.502136110000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.862894180000000,  0.674876310000000,  0.497863890000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.637105820000000,  0.325123690000000,  0.497863890000000 ]    mass: 15.999400    reduced_to: 48  - symbol: O  # 49    coordinates: [  0.862894180000000,  0.325123690000000,  0.497863890000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.637105820000000,  0.674876310000000,  0.497863890000000 ]    mass: 15.999400    reduced_to: 50  - symbol: Al # 51    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 51  - symbol: Al # 52    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 52  - symbol: Al # 53    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 53  - symbol: Al # 54    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 26.981539    reduced_to: 54  - symbol: Al # 55    coordinates: [  0.500000000000000,  0.832466480000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 55  - symbol: Al # 56    coordinates: [  0.000000000000000,  0.167533520000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 56  - symbol: Al # 57    coordinates: [  0.500000000000000,  0.167533520000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 57  - symbol: Al # 58    coordinates: [  0.000000000000000,  0.832466480000000,  0.000000000000000 ]    mass: 26.981539    reduced_to: 58  - symbol: Al # 59    coordinates: [  0.750000000000000,  0.296094150000000,  0.129604660000000 ]    mass: 26.981539    reduced_to: 59  - symbol: Al # 60    coordinates: [  0.750000000000000,  0.703905850000000,  0.129604660000000 ]    mass: 26.981539    reduced_to: 60  - symbol: Al # 61    coordinates: [  0.250000000000000,  0.296094150000000,  0.870395340000000 ]    mass: 26.981539    reduced_to: 61  - symbol: Al # 62    coordinates: [  0.250000000000000,  0.703905850000000,  0.870395340000000 ]    mass: 26.981539    reduced_to: 62  - symbol: Al # 63    coordinates: [  0.433916380000000,  0.677812290000000,  0.493230180000000 ]    mass: 26.981539    reduced_to: 63  - symbol: Al # 64    coordinates: [  0.066083620000000,  0.322187710000000,  0.493230180000000 ]    mass: 26.981539    reduced_to: 64  - symbol: Al # 65    coordinates: [  0.566083620000000,  0.677812290000000,  0.506769820000000 ]    mass: 26.981539    reduced_to: 65  - symbol: Al # 66    coordinates: [  0.933916380000000,  0.322187710000000,  0.506769820000000 ]    mass: 26.981539    reduced_to: 66  - symbol: Al # 67    coordinates: [  0.566083620000000,  0.322187710000000,  0.506769820000000 ]    mass: 26.981539    reduced_to: 67  - 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