# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f341e82e-ae42-4d01-83de-0cd17bf7f257/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 NaSr4(SbO4)3 / P2_1/c (14) / materials id 17433](https://mdr.nims.go.jp/datasets/c43b27e7-9a79-43f6-9c72-1e797fbfe969)

## 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,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     8.127602100000001,     0.000000000000000,    -0.000738440000000 ] # a  - [     0.000000000000000,     8.104187830000001,     0.000000000000000 ] # b  - [    -8.038102990000001,     0.000000000000000,     8.131385420000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.710891870000000,  0.538336360000000,  0.960568330000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.289108130000000,  0.038336360000000,  0.539431670000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.289108130000000,  0.461663640000000,  0.039431670000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.710891870000000,  0.961663640000000,  0.460568330000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.018201740000000,  0.749877600000000,  0.470264570000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.981798260000000,  0.249877600000000,  0.029735430000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.981798260000000,  0.250122400000000,  0.529735430000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.018201740000000,  0.750122400000000,  0.970264570000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.213096490000000,  0.541001520000000,  0.750435610000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.786903510000000,  0.041001520000000,  0.749564390000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.786903510000000,  0.458998480000000,  0.249564390000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.213096490000000,  0.958998480000000,  0.250435610000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.518284240000000,  0.770653610000000,  0.543572810000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.481715760000000,  0.270653610000000,  0.956427190000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.481715760000000,  0.229346390000000,  0.456427190000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.518284240000000,  0.729346390000000,  0.043572810000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.263586680000000,  0.039102110000000,  0.035399040000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.736413320000000,  0.539102110000000,  0.464600960000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.736413320000000,  0.960897890000000,  0.964600960000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.263586680000000,  0.460897890000000,  0.535399040000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.806485390000000,  0.036873800000000,  0.270957020000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.193514610000000,  0.536873800000000,  0.229042980000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.193514610000000,  0.963126200000000,  0.729042980000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.806485390000000,  0.463126200000000,  0.770957020000000 ]    mass: 15.999400  - symbol: Na # 25    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 22.989769  - symbol: Na # 26    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 22.989769  - symbol: Sr # 27    coordinates: [  0.532125150000000,  0.254880570000000,  0.763400950000000 ]    mass: 87.620000  - symbol: Sr # 28    coordinates: [  0.467874850000000,  0.754880570000000,  0.736599050000000 ]    mass: 87.620000  - symbol: Sr # 29    coordinates: [  0.956008750000000,  0.745433610000000,  0.722333160000000 ]    mass: 87.620000  - symbol: Sr # 30    coordinates: [  0.043991250000000,  0.245433610000000,  0.777666840000000 ]    mass: 87.620000  - symbol: Sr # 31    coordinates: [  0.467874850000000,  0.745119430000000,  0.236599050000000 ]    mass: 87.620000  - symbol: Sr # 32    coordinates: [  0.532125150000000,  0.245119430000000,  0.263400950000000 ]    mass: 87.620000  - symbol: Sr # 33    coordinates: [  0.956008750000000,  0.754566390000000,  0.222333160000000 ]    mass: 87.620000  - symbol: Sr # 34    coordinates: [  0.043991250000000,  0.254566390000000,  0.277666840000000 ]    mass: 87.620000  - symbol: Sb # 35    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 121.760000  - symbol: Sb # 36    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 37    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 121.760000  - symbol: Sb # 38    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 39    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 40    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000  reciprocal_lattice: # without 2pi  - [     0.123048570697635,     0.000000000000000,     0.121636969956822 ] # a*  - [     0.000000000000000,     0.123392993965195,     0.000000000000000 ] # b*  - [     0.000011174477884,     0.000000000000000,     0.122991319430545 ] # c*unit_cell:  lattice:  - [     8.127602100000001,     0.000000000000000,    -0.000738440000000 ] # a  - [     0.000000000000000,     8.104187830000001,     0.000000000000000 ] # b  - [    -8.038102990000001,     0.000000000000000,     8.131385420000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.710891870000000,  0.538336360000000,  0.960568330000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.289108130000000,  0.038336360000000,  0.539431670000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.289108130000000,  0.461663640000000,  0.039431670000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.710891870000000,  0.961663640000000,  0.460568330000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.018201740000000,  0.749877600000000,  0.470264570000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.981798260000000,  0.249877600000000,  0.029735430000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.981798260000000,  0.250122400000000,  0.529735430000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.018201740000000,  0.750122400000000,  0.970264570000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.213096490000000,  0.541001520000000,  0.750435610000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.786903510000000,  0.041001520000000,  0.749564390000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.786903510000000,  0.458998480000000,  0.249564390000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.213096490000000,  0.958998480000000,  0.250435610000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.518284240000000,  0.770653610000000,  0.543572810000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.481715760000000,  0.270653610000000,  0.956427190000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.481715760000000,  0.229346390000000,  0.456427190000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.518284240000000,  0.729346390000000,  0.043572810000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.263586680000000,  0.039102110000000,  0.035399040000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.736413320000000,  0.539102110000000,  0.464600960000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.736413320000000,  0.960897890000000,  0.964600960000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.263586680000000,  0.460897890000000,  0.535399040000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.806485390000000,  0.036873800000000,  0.270957020000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.193514610000000,  0.536873800000000,  0.229042980000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.193514610000000,  0.963126200000000,  0.729042980000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.806485390000000,  0.463126200000000,  0.770957020000000 ]    mass: 15.999400    reduced_to: 24  - symbol: Na # 25    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 25  - symbol: Na # 26    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 26  - symbol: Sr # 27    coordinates: [  0.532125150000000,  0.254880570000000,  0.763400950000000 ]    mass: 87.620000    reduced_to: 27  - symbol: Sr # 28    coordinates: [  0.467874850000000,  0.754880570000000,  0.736599050000000 ]    mass: 87.620000    reduced_to: 28  - symbol: Sr # 29    coordinates: [  0.956008750000000,  0.745433610000000,  0.722333160000000 ]    mass: 87.620000    reduced_to: 29  - symbol: Sr # 30    coordinates: [  0.043991250000000,  0.245433610000000,  0.777666840000000 ]    mass: 87.620000    reduced_to: 30  - symbol: Sr # 31    coordinates: [  0.467874850000000,  0.745119430000000,  0.236599050000000 ]    mass: 87.620000    reduced_to: 31  - symbol: Sr # 32    coordinates: [  0.532125150000000,  0.245119430000000,  0.263400950000000 ]    mass: 87.620000    reduced_to: 32  - symbol: Sr # 33    coordinates: [  0.956008750000000,  0.754566390000000,  0.222333160000000 ]    mass: 87.620000    reduced_to: 33  - symbol: Sr # 34    coordinates: [  0.043991250000000,  0.254566390000000,  0.277666840000000 ]    mass: 87.620000    reduced_to: 34  - symbol: Sb # 35    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 35  - symbol: Sb # 36    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 36  - symbol: Sb # 37    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 37  - symbol: Sb # 38    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 38  - symbol: Sb # 39    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 39  - symbol: Sb # 40    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 40supercell:  lattice:  - [     8.127602100000001,     0.000000000000000,    -0.000738440000000 ] # a  - [     0.000000000000000,    16.208375660000002,     0.000000000000000 ] # b  - [    -8.038102990000001,     0.000000000000000,     8.131385420000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.710891870000000,  0.269168180000000,  0.960568330000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.710891870000000,  0.769168180000000,  0.960568330000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.289108130000000,  0.019168180000000,  0.539431670000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.289108130000000,  0.519168180000000,  0.539431670000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 5    coordinates: [  0.289108130000000,  0.230831820000000,  0.039431670000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.289108130000000,  0.730831820000000,  0.039431670000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.710891870000000,  0.480831820000000,  0.460568330000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.710891870000000,  0.980831820000000,  0.460568330000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 9    coordinates: [  0.018201740000000,  0.374938800000000,  0.470264570000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.018201740000000,  0.874938800000000,  0.470264570000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.981798260000000,  0.124938800000000,  0.029735430000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.981798260000000,  0.624938800000000,  0.029735430000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 13    coordinates: [  0.981798260000000,  0.125061200000000,  0.529735430000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.981798260000000,  0.625061200000000,  0.529735430000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.018201740000000,  0.375061200000000,  0.970264570000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.018201740000000,  0.875061200000000,  0.970264570000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 17    coordinates: [  0.213096490000000,  0.270500760000000,  0.750435610000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.213096490000000,  0.770500760000000,  0.750435610000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 19    coordinates: [  0.786903510000000,  0.020500760000000,  0.749564390000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.786903510000000,  0.520500760000000,  0.749564390000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 21    coordinates: [  0.786903510000000,  0.229499240000000,  0.249564390000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.786903510000000,  0.729499240000000,  0.249564390000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 23    coordinates: [  0.213096490000000,  0.479499240000000,  0.250435610000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.213096490000000,  0.979499240000000,  0.250435610000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 25    coordinates: [  0.518284240000000,  0.385326805000000,  0.543572810000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.518284240000000,  0.885326805000000,  0.543572810000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.481715760000000,  0.135326805000000,  0.956427190000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.481715760000000,  0.635326805000000,  0.956427190000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 29    coordinates: [  0.481715760000000,  0.114673195000000,  0.456427190000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.481715760000000,  0.614673195000000,  0.456427190000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.518284240000000,  0.364673195000000,  0.043572810000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.518284240000000,  0.864673195000000,  0.043572810000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 33    coordinates: [  0.263586680000000,  0.019551055000000,  0.035399040000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.263586680000000,  0.519551055000000,  0.035399040000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.736413320000000,  0.269551055000000,  0.464600960000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.736413320000000,  0.769551055000000,  0.464600960000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 37    coordinates: [  0.736413320000000,  0.480448945000000,  0.964600960000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.736413320000000,  0.980448945000000,  0.964600960000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.263586680000000,  0.230448945000000,  0.535399040000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.263586680000000,  0.730448945000000,  0.535399040000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 41    coordinates: [  0.806485390000000,  0.018436900000000,  0.270957020000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.806485390000000,  0.518436900000000,  0.270957020000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.193514610000000,  0.268436900000000,  0.229042980000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 44    coordinates: [  0.193514610000000,  0.768436900000000,  0.229042980000000 ]    mass: 15.999400    reduced_to: 43  - symbol: O  # 45    coordinates: [  0.193514610000000,  0.481563100000000,  0.729042980000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.193514610000000,  0.981563100000000,  0.729042980000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.806485390000000,  0.231563100000000,  0.770957020000000 ]    mass: 15.999400    reduced_to: 47  - symbol: O  # 48    coordinates: [  0.806485390000000,  0.731563100000000,  0.770957020000000 ]    mass: 15.999400    reduced_to: 47  - symbol: Na # 49    coordinates: [  0.500000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 50    coordinates: [  0.500000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 51    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 51  - symbol: Na # 52    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 22.989769    reduced_to: 51  - symbol: Sr # 53    coordinates: [  0.532125150000000,  0.127440285000000,  0.763400950000000 ]    mass: 87.620000    reduced_to: 53  - symbol: Sr # 54    coordinates: [  0.532125150000000,  0.627440285000000,  0.763400950000000 ]    mass: 87.620000    reduced_to: 53  - symbol: Sr # 55    coordinates: [  0.467874850000000,  0.377440285000000,  0.736599050000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 56    coordinates: [  0.467874850000000,  0.877440285000000,  0.736599050000000 ]    mass: 87.620000    reduced_to: 55  - symbol: Sr # 57    coordinates: [  0.956008750000000,  0.372716805000000,  0.722333160000000 ]    mass: 87.620000    reduced_to: 57  - symbol: Sr # 58    coordinates: [  0.956008750000000,  0.872716805000000,  0.722333160000000 ]    mass: 87.620000    reduced_to: 57  - symbol: Sr # 59    coordinates: [  0.043991250000000,  0.122716805000000,  0.777666840000000 ]    mass: 87.620000    reduced_to: 59  - symbol: Sr # 60    coordinates: [  0.043991250000000,  0.622716805000000,  0.777666840000000 ]    mass: 87.620000    reduced_to: 59  - symbol: Sr # 61    coordinates: [  0.467874850000000,  0.372559715000000,  0.236599050000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 62    coordinates: [  0.467874850000000,  0.872559715000000,  0.236599050000000 ]    mass: 87.620000    reduced_to: 61  - symbol: Sr # 63    coordinates: [  0.532125150000000,  0.122559715000000,  0.263400950000000 ]    mass: 87.620000    reduced_to: 63  - symbol: Sr # 64    coordinates: [  0.532125150000000,  0.622559715000000,  0.263400950000000 ]    mass: 87.620000    reduced_to: 63  - symbol: Sr # 65    coordinates: [  0.956008750000000,  0.377283195000000,  0.222333160000000 ]    mass: 87.620000    reduced_to: 65  - symbol: Sr # 66    coordinates: [  0.956008750000000,  0.877283195000000,  0.222333160000000 ]    mass: 87.620000    reduced_to: 65  - 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