# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/cb18db70-892a-406a-8596-3762781e3d23/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 NaAlGeO4 / P2_1/c (14) / materials id 14511](https://mdr.nims.go.jp/datasets/e95c2250-6367-4e2c-8120-dfec58df9728)

## 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:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     8.802627749999999,     0.000000000000000,     0.001819730000000 ] # a  - [     0.000000000000000,     8.269575939999999,     0.000000000000000 ] # b  - [    -8.771121969999999,     0.000000000000000,    15.459666390000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.088922870000000,  0.030089470000000,  0.606004880000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.911077130000000,  0.530089470000000,  0.893995120000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.911077130000000,  0.969910530000000,  0.393995120000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.088922870000000,  0.469910530000000,  0.106004880000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.620707380000000,  0.023312230000000,  0.950354390000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.379292620000000,  0.523312230000000,  0.549645610000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.379292620000000,  0.976687770000000,  0.049645610000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.620707380000000,  0.476687770000000,  0.450354390000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.758144560000000,  0.022852610000000,  0.688549650000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.241855440000000,  0.522852610000000,  0.811450350000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.241855440000000,  0.977147390000000,  0.311450350000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.758144560000000,  0.477147390000000,  0.188549650000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.099216120000000,  0.355394460000000,  0.650968830000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.900783880000000,  0.855394460000000,  0.849031170000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.900783880000000,  0.644605540000000,  0.349031170000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.099216120000000,  0.144605540000000,  0.150968830000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.704066230000000,  0.351862450000000,  0.949035780000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.295933770000000,  0.851862450000000,  0.550964220000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.295933770000000,  0.648137550000000,  0.050964220000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.704066230000000,  0.148137550000000,  0.449035780000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.378872710000000,  0.226779550000000,  0.628795550000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.704897510000000,  0.349668350000000,  0.644828870000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.295102490000000,  0.650331650000000,  0.355171130000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.704897510000000,  0.150331650000000,  0.144828870000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.044444240000000,  0.231512300000000,  0.979100420000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.955555760000000,  0.731512300000000,  0.520899580000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.955555760000000,  0.768487700000000,  0.020899580000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.044444240000000,  0.268487700000000,  0.479100420000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.420840160000000,  0.267426820000000,  0.977828280000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.579159840000000,  0.767426820000000,  0.522171720000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.579159840000000,  0.732573180000000,  0.022171720000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.420840160000000,  0.232573180000000,  0.477828280000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.040426940000000,  0.241698200000000,  0.792464600000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.959573060000000,  0.741698200000000,  0.707535400000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.959573060000000,  0.758301800000000,  0.207535400000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.040426940000000,  0.258301800000000,  0.292464600000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.735156590000000,  0.260828420000000,  0.306376050000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.264843410000000,  0.760828420000000,  0.193623950000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.264843410000000,  0.739171580000000,  0.693623950000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.735156590000000,  0.239171580000000,  0.806376050000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.383590430000000,  0.278868370000000,  0.308990160000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.616409570000000,  0.778868370000000,  0.191009840000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.616409570000000,  0.721131630000000,  0.691009840000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.383590430000000,  0.221131630000000,  0.808990160000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.378872710000000,  0.273220450000000,  0.128795550000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.621127290000000,  0.773220450000000,  0.371204450000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.621127290000000,  0.726779550000000,  0.871204450000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.295102490000000,  0.849668350000000,  0.855171130000000 ]    mass: 15.999400  - symbol: Na # 49    coordinates: [  0.212481050000000,  0.475374660000000,  0.934498980000000 ]    mass: 22.989769  - symbol: Na # 50    coordinates: [  0.787518950000000,  0.975374660000000,  0.565501020000000 ]    mass: 22.989769  - symbol: Na # 51    coordinates: [  0.787518950000000,  0.524625340000000,  0.065501020000000 ]    mass: 22.989769  - symbol: Na # 52    coordinates: [  0.212481050000000,  0.024625340000000,  0.434498980000000 ]    mass: 22.989769  - symbol: Na # 53    coordinates: [  0.142183910000000,  0.032740120000000,  0.909510460000000 ]    mass: 22.989769  - symbol: Na # 54    coordinates: [  0.857816090000000,  0.532740120000000,  0.590489540000000 ]    mass: 22.989769  - symbol: Na # 55    coordinates: [  0.857816090000000,  0.967259880000000,  0.090489540000000 ]    mass: 22.989769  - symbol: Na # 56    coordinates: [  0.142183910000000,  0.467259880000000,  0.409510460000000 ]    mass: 22.989769  - symbol: Na # 57    coordinates: [  0.503010480000000,  0.043551470000000,  0.746206750000000 ]    mass: 22.989769  - symbol: Na # 58    coordinates: [  0.496989520000000,  0.543551470000000,  0.753793250000000 ]    mass: 22.989769  - symbol: Na # 59    coordinates: [  0.496989520000000,  0.956448530000000,  0.253793250000000 ]    mass: 22.989769  - symbol: Na # 60    coordinates: [  0.503010480000000,  0.456448530000000,  0.246206750000000 ]    mass: 22.989769  - symbol: Al # 61    coordinates: [  0.849062640000000,  0.334641330000000,  0.907877920000000 ]    mass: 26.981539  - symbol: Al # 62    coordinates: [  0.150937360000000,  0.834641330000000,  0.592122080000000 ]    mass: 26.981539  - symbol: Al # 63    coordinates: [  0.150937360000000,  0.665358670000000,  0.092122080000000 ]    mass: 26.981539  - symbol: Al # 64    coordinates: [  0.849062640000000,  0.165358670000000,  0.407877920000000 ]    mass: 26.981539  - symbol: Al # 65    coordinates: [  0.476579980000000,  0.330648390000000,  0.576782720000000 ]    mass: 26.981539  - symbol: Al # 66    coordinates: [  0.523420020000000,  0.830648390000000,  0.923217280000000 ]    mass: 26.981539  - symbol: Al # 67    coordinates: [  0.523420020000000,  0.669351610000000,  0.423217280000000 ]    mass: 26.981539  - symbol: Al # 68    coordinates: [  0.476579980000000,  0.169351610000000,  0.076782720000000 ]    mass: 26.981539  - symbol: Al # 69    coordinates: [  0.185718340000000,  0.329761000000000,  0.763208530000000 ]    mass: 26.981539  - symbol: Al # 70    coordinates: [  0.814281660000000,  0.829761000000000,  0.736791470000000 ]    mass: 26.981539  - symbol: Al # 71    coordinates: [  0.814281660000000,  0.670239000000000,  0.236791470000000 ]    mass: 26.981539  - symbol: Al # 72    coordinates: [  0.185718340000000,  0.170239000000000,  0.263208530000000 ]    mass: 26.981539  - symbol: Ge # 73    coordinates: [  0.530649650000000,  0.217236830000000,  0.920833100000000 ]    mass: 72.640000  - symbol: Ge # 74    coordinates: [  0.469350350000000,  0.717236830000000,  0.579166900000000 ]    mass: 72.640000  - symbol: Ge # 75    coordinates: [  0.469350350000000,  0.782763170000000,  0.079166900000000 ]    mass: 72.640000  - symbol: Ge # 76    coordinates: [  0.530649650000000,  0.282763170000000,  0.420833100000000 ]    mass: 72.640000  - symbol: Ge # 77    coordinates: [  0.152227660000000,  0.222972110000000,  0.590279070000000 ]    mass: 72.640000  - symbol: Ge # 78    coordinates: [  0.847772340000000,  0.722972110000000,  0.909720930000000 ]    mass: 72.640000  - symbol: Ge # 79    coordinates: [  0.847772340000000,  0.777027890000000,  0.409720930000000 ]    mass: 72.640000  - symbol: Ge # 80    coordinates: [  0.152227660000000,  0.277027890000000,  0.090279070000000 ]    mass: 72.640000  - symbol: Ge # 81    coordinates: [  0.813392910000000,  0.217946130000000,  0.732983620000000 ]    mass: 72.640000  - symbol: Ge # 82    coordinates: [  0.186607090000000,  0.717946130000000,  0.767016380000000 ]    mass: 72.640000  - symbol: Ge # 83    coordinates: [  0.186607090000000,  0.782053870000000,  0.267016380000000 ]    mass: 72.640000  - symbol: Ge # 84    coordinates: [  0.813392910000000,  0.282053870000000,  0.232983620000000 ]    mass: 72.640000  reciprocal_lattice: # without 2pi  - [     0.113589118523837,     0.000000000000000,     0.064445375980546 ] # a*  - [     0.000000000000000,     0.120925184949689,     0.000000000000000 ] # b*  - [    -0.000013370374330,     0.000000000000000,     0.064676863108944 ] # c*unit_cell:  lattice:  - [     8.802627749999999,     0.000000000000000,     0.001819730000000 ] # a  - [     0.000000000000000,     8.269575939999999,     0.000000000000000 ] # b  - [    -8.771121969999999,     0.000000000000000,    15.459666390000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.088922870000000,  0.030089470000000,  0.606004880000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.911077130000000,  0.530089470000000,  0.893995120000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.911077130000000,  0.969910530000000,  0.393995120000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.088922870000000,  0.469910530000000,  0.106004880000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.620707380000000,  0.023312230000000,  0.950354390000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.379292620000000,  0.523312230000000,  0.549645610000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.379292620000000,  0.976687770000000,  0.049645610000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.620707380000000,  0.476687770000000,  0.450354390000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.758144560000000,  0.022852610000000,  0.688549650000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.241855440000000,  0.522852610000000,  0.811450350000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.241855440000000,  0.977147390000000,  0.311450350000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.758144560000000,  0.477147390000000,  0.188549650000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.099216120000000,  0.355394460000000,  0.650968830000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.900783880000000,  0.855394460000000,  0.849031170000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.900783880000000,  0.644605540000000,  0.349031170000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.099216120000000,  0.144605540000000,  0.150968830000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.704066230000000,  0.351862450000000,  0.949035780000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.295933770000000,  0.851862450000000,  0.550964220000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.295933770000000,  0.648137550000000,  0.050964220000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.704066230000000,  0.148137550000000,  0.449035780000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.378872710000000,  0.226779550000000,  0.628795550000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.704897510000000,  0.349668350000000,  0.644828870000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.295102490000000,  0.650331650000000,  0.355171130000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.704897510000000,  0.150331650000000,  0.144828870000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.044444240000000,  0.231512300000000,  0.979100420000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.955555760000000,  0.731512300000000,  0.520899580000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.955555760000000,  0.768487700000000,  0.020899580000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.044444240000000,  0.268487700000000,  0.479100420000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.420840160000000,  0.267426820000000,  0.977828280000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.579159840000000,  0.767426820000000,  0.522171720000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.579159840000000,  0.732573180000000,  0.022171720000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.420840160000000,  0.232573180000000,  0.477828280000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.040426940000000,  0.241698200000000,  0.792464600000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.959573060000000,  0.741698200000000,  0.707535400000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.959573060000000,  0.758301800000000,  0.207535400000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.040426940000000,  0.258301800000000,  0.292464600000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.735156590000000,  0.260828420000000,  0.306376050000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.264843410000000,  0.760828420000000,  0.193623950000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.264843410000000,  0.739171580000000,  0.693623950000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.735156590000000,  0.239171580000000,  0.806376050000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.383590430000000,  0.278868370000000,  0.308990160000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.616409570000000,  0.778868370000000,  0.191009840000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.616409570000000,  0.721131630000000,  0.691009840000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.383590430000000,  0.221131630000000,  0.808990160000000 ]    mass: 15.999400    reduced_to: 44  - symbol: O  # 45    coordinates: [  0.378872710000000,  0.273220450000000,  0.128795550000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.621127290000000,  0.773220450000000,  0.371204450000000 ]    mass: 15.999400    reduced_to: 46  - symbol: O  # 47    coordinates: [  0.621127290000000,  0.726779550000000,  0.871204450000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.295102490000000,  0.849668350000000,  0.855171130000000 ]    mass: 15.999400    reduced_to: 48  - symbol: Na # 49    coordinates: [  0.212481050000000,  0.475374660000000,  0.934498980000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 50    coordinates: [  0.787518950000000,  0.975374660000000,  0.565501020000000 ]    mass: 22.989769    reduced_to: 50  - symbol: Na # 51    coordinates: [  0.787518950000000,  0.524625340000000,  0.065501020000000 ]    mass: 22.989769    reduced_to: 51  - symbol: Na # 52    coordinates: [  0.212481050000000,  0.024625340000000,  0.434498980000000 ]    mass: 22.989769    reduced_to: 52  - symbol: Na # 53    coordinates: [  0.142183910000000,  0.032740120000000,  0.909510460000000 ]    mass: 22.989769    reduced_to: 53  - symbol: Na # 54    coordinates: [  0.857816090000000,  0.532740120000000,  0.590489540000000 ]    mass: 22.989769    reduced_to: 54  - symbol: Na # 55    coordinates: [  0.857816090000000,  0.967259880000000,  0.090489540000000 ]    mass: 22.989769    reduced_to: 55  - symbol: Na # 56    coordinates: [  0.142183910000000,  0.467259880000000,  0.409510460000000 ]    mass: 22.989769    reduced_to: 56  - symbol: Na # 57    coordinates: [  0.503010480000000,  0.043551470000000,  0.746206750000000 ]    mass: 22.989769    reduced_to: 57  - symbol: Na # 58    coordinates: [  0.496989520000000,  0.543551470000000,  0.753793250000000 ]    mass: 22.989769    reduced_to: 58  - symbol: Na # 59    coordinates: [  0.496989520000000,  0.956448530000000,  0.253793250000000 ]    mass: 22.989769    reduced_to: 59  - symbol: Na # 60    coordinates: [  0.503010480000000,  0.456448530000000,  0.246206750000000 ]    mass: 22.989769    reduced_to: 60  - symbol: Al # 61    coordinates: [  0.849062640000000,  0.334641330000000,  0.907877920000000 ]    mass: 26.981539    reduced_to: 61  - symbol: Al # 62    coordinates: [  0.150937360000000,  0.834641330000000,  0.592122080000000 ]    mass: 26.981539    reduced_to: 62  - symbol: Al # 63    coordinates: [  0.150937360000000,  0.665358670000000,  0.092122080000000 ]    mass: 26.981539    reduced_to: 63  - symbol: Al # 64    coordinates: [  0.849062640000000,  0.165358670000000,  0.407877920000000 ]    mass: 26.981539    reduced_to: 64  - symbol: Al # 65    coordinates: [  0.476579980000000,  0.330648390000000,  0.576782720000000 ]    mass: 26.981539    reduced_to: 65  - symbol: Al # 66    coordinates: [  0.523420020000000,  0.830648390000000,  0.923217280000000 ]    mass: 26.981539    reduced_to: 66  - symbol: Al # 67    coordinates: [  0.523420020000000,  0.669351610000000,  0.423217280000000 ]    mass: 26.981539    reduced_to: 67  - symbol: Al # 68    coordinates: [  0.476579980000000,  0.169351610000000,  0.076782720000000 ]    mass: 26.981539    reduced_to: 68  - symbol: Al # 69    coordinates: [  0.185718340000000,  0.329761000000000,  0.763208530000000 ]    mass: 26.981539    reduced_to: 69  - 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