# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f556a09c-b592-43b0-b0d4-a7544890bf05/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 Sr3P4 / Fdd2 (43) / materials id 14288](https://mdr.nims.go.jp/datasets/5aed09f7-7eee-4bce-8e43-4b5d20222e44)

## 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: "Fdd2"  number: 43  Hall_symbol: "F 2 -2d"primitive_matrix:- [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     0.000000000000000,     8.595928290000000,     2.897357885000000 ] # a  - [     7.072511045000000,     0.000000000000000,     2.897357885000000 ] # b  - [     7.072511045000000,     8.595928290000000,     0.000000000000000 ] # c  points:  - symbol: P  # 1    coordinates: [  0.418218440000000,  0.578267860000000,  0.083823460000000 ]    mass: 30.973762  - symbol: P  # 2    coordinates: [  0.578267860000000,  0.418218440000000,  0.919690240000000 ]    mass: 30.973762  - symbol: P  # 3    coordinates: [  0.330309760000000,  0.166176540000000,  0.671732140000000 ]    mass: 30.973762  - symbol: P  # 4    coordinates: [  0.166176540000000,  0.330309760000000,  0.831781560000000 ]    mass: 30.973762  - symbol: P  # 5    coordinates: [  0.821940260000000,  0.659926840000000,  0.521655360000000 ]    mass: 30.973762  - symbol: P  # 6    coordinates: [  0.659926840000000,  0.821940260000000,  0.996477540000000 ]    mass: 30.973762  - symbol: P  # 7    coordinates: [  0.728344640000000,  0.253522460000000,  0.428059740000000 ]    mass: 30.973762  - symbol: P  # 8    coordinates: [  0.253522460000000,  0.728344640000000,  0.590073160000000 ]    mass: 30.973762  - symbol: Sr # 9    coordinates: [  0.085326430000000,  0.417831710000000,  0.577814390000000 ]    mass: 87.620000  - symbol: Sr # 10    coordinates: [  0.417831710000000,  0.085326430000000,  0.919027470000000 ]    mass: 87.620000  - symbol: Sr # 11    coordinates: [  0.330972530000000,  0.672185610000000,  0.832168290000000 ]    mass: 87.620000  - symbol: Sr # 12    coordinates: [  0.672185610000000,  0.330972530000000,  0.164673570000000 ]    mass: 87.620000  - symbol: Sr # 13    coordinates: [  0.995288460000000,  0.995288460000000,  0.504711540000000 ]    mass: 87.620000  - symbol: Sr # 14    coordinates: [  0.745288460000000,  0.745288460000000,  0.254711540000000 ]    mass: 87.620000  reciprocal_lattice: # without 2pi  - [    -0.070696248732405,     0.058167074355619,     0.172571018094991 ] # a*  - [     0.070696248732405,    -0.058167074355619,     0.172571018094991 ] # b*  - [     0.070696248732405,     0.058167074355619,    -0.172571018094991 ] # c*unit_cell:  lattice:  - [    14.145022089999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    17.191856580000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.794715770000000 ] # c  points:  - symbol: P  # 1    coordinates: [  0.831045660000000,  0.751020950000000,  0.498243150000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 2    coordinates: [  0.668954340000000,  0.748979050000000,  0.498243150000000 ]    mass: 30.973762    reduced_to: 2  - symbol: P  # 3    coordinates: [  0.918954340000000,  0.501020950000000,  0.748243150000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 4    coordinates: [  0.581045660000000,  0.998979050000000,  0.748243150000000 ]    mass: 30.973762    reduced_to: 4  - symbol: P  # 5    coordinates: [  0.590791100000000,  0.671797810000000,  0.740933550000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 6    coordinates: [  0.909208900000000,  0.828202190000000,  0.740933550000000 ]    mass: 30.973762    reduced_to: 6  - symbol: P  # 7    coordinates: [  0.840791100000000,  0.578202190000000,  0.990933550000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 8    coordinates: [  0.659208900000000,  0.921797810000000,  0.990933550000000 ]    mass: 30.973762    reduced_to: 8  - symbol: P  # 9    coordinates: [  0.831045660000000,  0.251020950000000,  0.998243150000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 10    coordinates: [  0.668954340000000,  0.248979050000000,  0.998243150000000 ]    mass: 30.973762    reduced_to: 2  - symbol: P  # 11    coordinates: [  0.918954340000000,  0.001020950000000,  0.248243150000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 12    coordinates: [  0.581045660000000,  0.498979050000000,  0.248243150000000 ]    mass: 30.973762    reduced_to: 4  - symbol: P  # 13    coordinates: [  0.590791100000000,  0.171797810000000,  0.240933550000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 14    coordinates: [  0.909208900000000,  0.328202190000000,  0.240933550000000 ]    mass: 30.973762    reduced_to: 6  - symbol: P  # 15    coordinates: [  0.840791100000000,  0.078202190000000,  0.490933550000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 16    coordinates: [  0.659208900000000,  0.421797810000000,  0.490933550000000 ]    mass: 30.973762    reduced_to: 8  - symbol: P  # 17    coordinates: [  0.331045660000000,  0.751020950000000,  0.998243150000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 18    coordinates: [  0.168954340000000,  0.748979050000000,  0.998243150000000 ]    mass: 30.973762    reduced_to: 2  - symbol: P  # 19    coordinates: [  0.418954340000000,  0.501020950000000,  0.248243150000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 20    coordinates: [  0.081045660000000,  0.998979050000000,  0.248243150000000 ]    mass: 30.973762    reduced_to: 4  - symbol: P  # 21    coordinates: [  0.090791100000000,  0.671797810000000,  0.240933550000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 22    coordinates: [  0.409208900000000,  0.828202190000000,  0.240933550000000 ]    mass: 30.973762    reduced_to: 6  - symbol: P  # 23    coordinates: [  0.340791100000000,  0.578202190000000,  0.490933550000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 24    coordinates: [  0.159208900000000,  0.921797810000000,  0.490933550000000 ]    mass: 30.973762    reduced_to: 8  - symbol: P  # 25    coordinates: [  0.331045660000000,  0.251020950000000,  0.498243150000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 26    coordinates: [  0.168954340000000,  0.248979050000000,  0.498243150000000 ]    mass: 30.973762    reduced_to: 2  - symbol: P  # 27    coordinates: [  0.418954340000000,  0.001020950000000,  0.748243150000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 28    coordinates: [  0.081045660000000,  0.498979050000000,  0.748243150000000 ]    mass: 30.973762    reduced_to: 4  - symbol: P  # 29    coordinates: [  0.090791100000000,  0.171797810000000,  0.740933550000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 30    coordinates: [  0.409208900000000,  0.328202190000000,  0.740933550000000 ]    mass: 30.973762    reduced_to: 6  - symbol: P  # 31    coordinates: [  0.340791100000000,  0.078202190000000,  0.990933550000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 32    coordinates: [  0.159208900000000,  0.421797810000000,  0.990933550000000 ]    mass: 30.973762    reduced_to: 8  - symbol: Sr # 33    coordinates: [  0.997823050000000,  0.831570410000000,  0.251579070000000 ]    mass: 87.620000    reduced_to: 33  - symbol: Sr # 34    coordinates: [  0.502176950000000,  0.668429590000000,  0.251579070000000 ]    mass: 87.620000    reduced_to: 34  - symbol: Sr # 35    coordinates: [  0.752176950000000,  0.581570410000000,  0.501579070000000 ]    mass: 87.620000    reduced_to: 35  - symbol: Sr # 36    coordinates: [  0.747823050000000,  0.918429590000000,  0.501579070000000 ]    mass: 87.620000    reduced_to: 36  - symbol: Sr # 37    coordinates: [  0.750000000000000,  0.750000000000000,  0.995288460000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 38    coordinates: [  0.500000000000000,  0.500000000000000,  0.745288460000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 39    coordinates: [  0.997823050000000,  0.331570410000000,  0.751579070000000 ]    mass: 87.620000    reduced_to: 33  - symbol: Sr # 40    coordinates: [  0.502176950000000,  0.168429590000000,  0.751579070000000 ]    mass: 87.620000    reduced_to: 34  - symbol: Sr # 41    coordinates: [  0.752176950000000,  0.081570410000000,  0.001579070000000 ]    mass: 87.620000    reduced_to: 35  - symbol: Sr # 42    coordinates: [  0.747823050000000,  0.418429590000000,  0.001579070000000 ]    mass: 87.620000    reduced_to: 36  - symbol: Sr # 43    coordinates: [  0.750000000000000,  0.250000000000000,  0.495288460000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 44    coordinates: [  0.500000000000000,  0.000000000000000,  0.245288460000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 45    coordinates: [  0.497823050000000,  0.831570410000000,  0.751579070000000 ]    mass: 87.620000    reduced_to: 33  - symbol: Sr # 46    coordinates: [  0.002176950000000,  0.668429590000000,  0.751579070000000 ]    mass: 87.620000    reduced_to: 34  - symbol: Sr # 47    coordinates: [  0.252176950000000,  0.581570410000000,  0.001579070000000 ]    mass: 87.620000    reduced_to: 35  - symbol: Sr # 48    coordinates: [  0.247823050000000,  0.918429590000000,  0.001579070000000 ]    mass: 87.620000    reduced_to: 36  - symbol: Sr # 49    coordinates: [  0.250000000000000,  0.750000000000000,  0.495288460000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 50    coordinates: [  0.000000000000000,  0.500000000000000,  0.245288460000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 51    coordinates: [  0.497823050000000,  0.331570410000000,  0.251579070000000 ]    mass: 87.620000    reduced_to: 33  - symbol: Sr # 52    coordinates: [  0.002176950000000,  0.168429590000000,  0.251579070000000 ]    mass: 87.620000    reduced_to: 34  - symbol: Sr # 53    coordinates: [  0.252176950000000,  0.081570410000000,  0.501579070000000 ]    mass: 87.620000    reduced_to: 35  - symbol: Sr # 54    coordinates: [  0.247823050000000,  0.418429590000000,  0.501579070000000 ]    mass: 87.620000    reduced_to: 36  - symbol: Sr # 55    coordinates: [  0.250000000000000,  0.250000000000000,  0.995288460000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 56    coordinates: [  0.000000000000000,  0.000000000000000,  0.745288460000000 ]    mass: 87.620000    reduced_to: 38supercell:  lattice:  - [    14.145022089999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    17.191856580000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.589431540000000 ] # c  points:  - symbol: P  # 1    coordinates: [  0.831045660000000,  0.751020950000000,  0.249121575000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 2    coordinates: [  0.831045660000000,  0.751020950000000,  0.749121575000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 3    coordinates: [  0.668954340000000,  0.748979050000000,  0.249121575000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 4    coordinates: [  0.668954340000000,  0.748979050000000,  0.749121575000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 5    coordinates: [  0.918954340000000,  0.501020950000000,  0.374121575000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 6    coordinates: [  0.918954340000000,  0.501020950000000,  0.874121575000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 7    coordinates: [  0.581045660000000,  0.998979050000000,  0.374121575000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 8    coordinates: [  0.581045660000000,  0.998979050000000,  0.874121575000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 9    coordinates: [  0.590791100000000,  0.671797810000000,  0.370466775000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 10    coordinates: [  0.590791100000000,  0.671797810000000,  0.870466775000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 11    coordinates: [  0.909208900000000,  0.828202190000000,  0.370466775000000 ]    mass: 30.973762    reduced_to: 11  - symbol: P  # 12    coordinates: [  0.909208900000000,  0.828202190000000,  0.870466775000000 ]    mass: 30.973762    reduced_to: 11  - symbol: P  # 13    coordinates: [  0.840791100000000,  0.578202190000000,  0.495466775000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 14    coordinates: [  0.840791100000000,  0.578202190000000,  0.995466775000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 15    coordinates: [  0.659208900000000,  0.921797810000000,  0.495466775000000 ]    mass: 30.973762    reduced_to: 15  - symbol: P  # 16    coordinates: [  0.659208900000000,  0.921797810000000,  0.995466775000000 ]    mass: 30.973762    reduced_to: 15  - symbol: P  # 17    coordinates: [  0.831045660000000,  0.251020950000000,  0.499121575000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 18    coordinates: [  0.831045660000000,  0.251020950000000,  0.999121575000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 19    coordinates: [  0.668954340000000,  0.248979050000000,  0.499121575000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 20    coordinates: [  0.668954340000000,  0.248979050000000,  0.999121575000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 21    coordinates: [  0.918954340000000,  0.001020950000000,  0.124121575000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 22    coordinates: [  0.918954340000000,  0.001020950000000,  0.624121575000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 23    coordinates: [  0.581045660000000,  0.498979050000000,  0.124121575000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 24    coordinates: [  0.581045660000000,  0.498979050000000,  0.624121575000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 25    coordinates: [  0.590791100000000,  0.171797810000000,  0.120466775000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 26    coordinates: [  0.590791100000000,  0.171797810000000,  0.620466775000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 27    coordinates: [  0.909208900000000,  0.328202190000000,  0.120466775000000 ]    mass: 30.973762    reduced_to: 11  - symbol: P  # 28    coordinates: [  0.909208900000000,  0.328202190000000,  0.620466775000000 ]    mass: 30.973762    reduced_to: 11  - symbol: P  # 29    coordinates: [  0.840791100000000,  0.078202190000000,  0.245466775000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 30    coordinates: [  0.840791100000000,  0.078202190000000,  0.745466775000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 31    coordinates: [  0.659208900000000,  0.421797810000000,  0.245466775000000 ]    mass: 30.973762    reduced_to: 15  - symbol: P  # 32    coordinates: [  0.659208900000000,  0.421797810000000,  0.745466775000000 ]    mass: 30.973762    reduced_to: 15  - symbol: P  # 33    coordinates: [  0.331045660000000,  0.751020950000000,  0.499121575000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 34    coordinates: [  0.331045660000000,  0.751020950000000,  0.999121575000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 35    coordinates: [  0.168954340000000,  0.748979050000000,  0.499121575000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 36    coordinates: [  0.168954340000000,  0.748979050000000,  0.999121575000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 37    coordinates: [  0.418954340000000,  0.501020950000000,  0.124121575000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 38    coordinates: [  0.418954340000000,  0.501020950000000,  0.624121575000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 39    coordinates: [  0.081045660000000,  0.998979050000000,  0.124121575000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 40    coordinates: [  0.081045660000000,  0.998979050000000,  0.624121575000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 41    coordinates: [  0.090791100000000,  0.671797810000000,  0.120466775000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 42    coordinates: [  0.090791100000000,  0.671797810000000,  0.620466775000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 43    coordinates: [  0.409208900000000,  0.828202190000000,  0.120466775000000 ]    mass: 30.973762    reduced_to: 11  - symbol: P  # 44    coordinates: [  0.409208900000000,  0.828202190000000,  0.620466775000000 ]    mass: 30.973762    reduced_to: 11  - symbol: P  # 45    coordinates: [  0.340791100000000,  0.578202190000000,  0.245466775000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 46    coordinates: [  0.340791100000000,  0.578202190000000,  0.745466775000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 47    coordinates: [  0.159208900000000,  0.921797810000000,  0.245466775000000 ]    mass: 30.973762    reduced_to: 15  - symbol: P  # 48    coordinates: [  0.159208900000000,  0.921797810000000,  0.745466775000000 ]    mass: 30.973762    reduced_to: 15  - symbol: P  # 49    coordinates: [  0.331045660000000,  0.251020950000000,  0.249121575000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 50    coordinates: [  0.331045660000000,  0.251020950000000,  0.749121575000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 51    coordinates: [  0.168954340000000,  0.248979050000000,  0.249121575000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 52    coordinates: [  0.168954340000000,  0.248979050000000,  0.749121575000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 53    coordinates: [  0.418954340000000,  0.001020950000000,  0.374121575000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 54    coordinates: [  0.418954340000000,  0.001020950000000,  0.874121575000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 55    coordinates: [  0.081045660000000,  0.498979050000000,  0.374121575000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 56    coordinates: [  0.081045660000000,  0.498979050000000,  0.874121575000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 57    coordinates: [  0.090791100000000,  0.171797810000000,  0.370466775000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 58    coordinates: [  0.090791100000000,  0.171797810000000,  0.870466775000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 59    coordinates: [  0.409208900000000,  0.328202190000000,  0.370466775000000 ]    mass: 30.973762    reduced_to: 11  - symbol: P  # 60    coordinates: [  0.409208900000000,  0.328202190000000,  0.870466775000000 ]    mass: 30.973762    reduced_to: 11  - symbol: P  # 61    coordinates: [  0.340791100000000,  0.078202190000000,  0.495466775000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 62    coordinates: [  0.340791100000000,  0.078202190000000,  0.995466775000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 63    coordinates: [  0.159208900000000,  0.421797810000000,  0.495466775000000 ]    mass: 30.973762    reduced_to: 15  - symbol: P  # 64    coordinates: [  0.159208900000000,  0.421797810000000,  0.995466775000000 ]    mass: 30.973762    reduced_to: 15  - symbol: Sr # 65    coordinates: [  0.997823050000000,  0.831570410000000,  0.125789535000000 ]    mass: 87.620000    reduced_to: 65  - symbol: Sr # 66    coordinates: [  0.997823050000000,  0.831570410000000,  0.625789535000000 ]    mass: 87.620000    reduced_to: 65  - symbol: Sr # 67    coordinates: [  0.502176950000000,  0.668429590000000,  0.125789535000000 ]    mass: 87.620000    reduced_to: 67  - symbol: Sr # 68    coordinates: [  0.502176950000000,  0.668429590000000,  0.625789535000000 ]    mass: 87.620000    reduced_to: 67  - symbol: Sr # 69    coordinates: [  0.752176950000000,  0.581570410000000,  0.250789535000000 ]    mass: 87.620000    reduced_to: 69  - symbol: Sr # 70    coordinates: [  0.752176950000000,  0.581570410000000,  0.750789535000000 ]    mass: 87.620000    reduced_to: 69  - symbol: Sr # 71    coordinates: [  0.747823050000000,  0.918429590000000,  0.250789535000000 ]    mass: 87.620000    reduced_to: 71  - 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