# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/161a02db-497e-4269-b305-3b43972e53e2/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 Sr3P14 / P2_1/c (14) / materials id 1853](https://mdr.nims.go.jp/datasets/dc3cc8a0-3490-41ad-8562-b9035896bcaf)

## 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,   2 ]primitive_cell:  lattice:  - [     6.267791530000000,     0.000000000000000,    -0.008102860000000 ] # a  - [     0.000000000000000,    12.608937490000001,     0.000000000000000 ] # b  - [    -6.288627970000000,     0.000000000000000,     9.500010769999999 ] # c  points:  - symbol: P  # 1    coordinates: [  0.292495430000000,  0.684515610000000,  0.963336780000000 ]    mass: 30.973762  - symbol: P  # 2    coordinates: [  0.707504570000000,  0.184515610000000,  0.536663220000000 ]    mass: 30.973762  - symbol: P  # 3    coordinates: [  0.707504570000000,  0.315484390000000,  0.036663220000000 ]    mass: 30.973762  - symbol: P  # 4    coordinates: [  0.292495430000000,  0.815484390000000,  0.463336780000000 ]    mass: 30.973762  - symbol: P  # 5    coordinates: [  0.433930790000000,  0.581764220000000,  0.869715950000000 ]    mass: 30.973762  - symbol: P  # 6    coordinates: [  0.566069210000000,  0.081764220000000,  0.630284050000000 ]    mass: 30.973762  - symbol: P  # 7    coordinates: [  0.566069210000000,  0.418235780000000,  0.130284050000000 ]    mass: 30.973762  - symbol: P  # 8    coordinates: [  0.433930790000000,  0.918235780000000,  0.369715950000000 ]    mass: 30.973762  - symbol: P  # 9    coordinates: [  0.908256220000000,  0.713488820000000,  0.773878420000000 ]    mass: 30.973762  - symbol: P  # 10    coordinates: [  0.091743780000000,  0.213488820000000,  0.726121580000000 ]    mass: 30.973762  - symbol: P  # 11    coordinates: [  0.091743780000000,  0.286511180000000,  0.226121580000000 ]    mass: 30.973762  - symbol: P  # 12    coordinates: [  0.908256220000000,  0.786511180000000,  0.273878420000000 ]    mass: 30.973762  - symbol: P  # 13    coordinates: [  0.759999200000000,  0.556370060000000,  0.677528160000000 ]    mass: 30.973762  - symbol: P  # 14    coordinates: [  0.240000800000000,  0.056370060000000,  0.822471840000000 ]    mass: 30.973762  - symbol: P  # 15    coordinates: [  0.240000800000000,  0.443629940000000,  0.322471840000000 ]    mass: 30.973762  - symbol: P  # 16    coordinates: [  0.759999200000000,  0.943629940000000,  0.177528160000000 ]    mass: 30.973762  - symbol: P  # 17    coordinates: [  0.017843280000000,  0.776085810000000,  0.635160790000000 ]    mass: 30.973762  - symbol: P  # 18    coordinates: [  0.982156720000000,  0.276085810000000,  0.864839210000000 ]    mass: 30.973762  - symbol: P  # 19    coordinates: [  0.982156720000000,  0.223914190000000,  0.364839210000000 ]    mass: 30.973762  - symbol: P  # 20    coordinates: [  0.017843280000000,  0.723914190000000,  0.135160790000000 ]    mass: 30.973762  - symbol: P  # 21    coordinates: [  0.902733000000000,  0.000954520000000,  0.812844390000000 ]    mass: 30.973762  - symbol: P  # 22    coordinates: [  0.097267000000000,  0.500954520000000,  0.687155610000000 ]    mass: 30.973762  - symbol: P  # 23    coordinates: [  0.097267000000000,  0.999045480000000,  0.187155610000000 ]    mass: 30.973762  - symbol: P  # 24    coordinates: [  0.902733000000000,  0.499045480000000,  0.312844390000000 ]    mass: 30.973762  - symbol: P  # 25    coordinates: [  0.254403340000000,  0.645736530000000,  0.644800210000000 ]    mass: 30.973762  - symbol: P  # 26    coordinates: [  0.745596660000000,  0.145736530000000,  0.855199790000000 ]    mass: 30.973762  - symbol: P  # 27    coordinates: [  0.745596660000000,  0.354263470000000,  0.355199790000000 ]    mass: 30.973762  - symbol: P  # 28    coordinates: [  0.254403340000000,  0.854263470000000,  0.144800210000000 ]    mass: 30.973762  - symbol: Sr # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 87.620000  - symbol: Sr # 30    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 87.620000  - symbol: Sr # 31    coordinates: [  0.577498860000000,  0.842295980000000,  0.876624430000000 ]    mass: 87.620000  - symbol: Sr # 32    coordinates: [  0.422501140000000,  0.342295980000000,  0.623375570000000 ]    mass: 87.620000  - symbol: Sr # 33    coordinates: [  0.422501140000000,  0.157704020000000,  0.123375570000000 ]    mass: 87.620000  - symbol: Sr # 34    coordinates: [  0.577498860000000,  0.657704020000000,  0.376624430000000 ]    mass: 87.620000  reciprocal_lattice: # without 2pi  - [     0.159682480710588,     0.000000000000000,     0.105703429062069 ] # a*  - [    -0.000000000000000,     0.079308823665205,     0.000000000000000 ] # b*  - [     0.000136198244084,     0.000000000000000,     0.105353196361398 ] # c*unit_cell:  lattice:  - [     6.267791530000000,     0.000000000000000,    -0.008102860000000 ] # a  - [     0.000000000000000,    12.608937490000001,     0.000000000000000 ] # b  - [    -6.288627970000000,     0.000000000000000,     9.500010769999999 ] # c  points:  - symbol: P  # 1    coordinates: [  0.292495430000000,  0.684515610000000,  0.963336780000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 2    coordinates: [  0.707504570000000,  0.184515610000000,  0.536663220000000 ]    mass: 30.973762    reduced_to: 2  - symbol: P  # 3    coordinates: [  0.707504570000000,  0.315484390000000,  0.036663220000000 ]    mass: 30.973762    reduced_to: 3  - symbol: P  # 4    coordinates: [  0.292495430000000,  0.815484390000000,  0.463336780000000 ]    mass: 30.973762    reduced_to: 4  - symbol: P  # 5    coordinates: [  0.433930790000000,  0.581764220000000,  0.869715950000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 6    coordinates: [  0.566069210000000,  0.081764220000000,  0.630284050000000 ]    mass: 30.973762    reduced_to: 6  - symbol: P  # 7    coordinates: [  0.566069210000000,  0.418235780000000,  0.130284050000000 ]    mass: 30.973762    reduced_to: 7  - symbol: P  # 8    coordinates: [  0.433930790000000,  0.918235780000000,  0.369715950000000 ]    mass: 30.973762    reduced_to: 8  - symbol: P  # 9    coordinates: [  0.908256220000000,  0.713488820000000,  0.773878420000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 10    coordinates: [  0.091743780000000,  0.213488820000000,  0.726121580000000 ]    mass: 30.973762    reduced_to: 10  - symbol: P  # 11    coordinates: [  0.091743780000000,  0.286511180000000,  0.226121580000000 ]    mass: 30.973762    reduced_to: 11  - symbol: P  # 12    coordinates: [  0.908256220000000,  0.786511180000000,  0.273878420000000 ]    mass: 30.973762    reduced_to: 12  - symbol: P  # 13    coordinates: [  0.759999200000000,  0.556370060000000,  0.677528160000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 14    coordinates: [  0.240000800000000,  0.056370060000000,  0.822471840000000 ]    mass: 30.973762    reduced_to: 14  - symbol: P  # 15    coordinates: [  0.240000800000000,  0.443629940000000,  0.322471840000000 ]    mass: 30.973762    reduced_to: 15  - symbol: P  # 16    coordinates: [  0.759999200000000,  0.943629940000000,  0.177528160000000 ]    mass: 30.973762    reduced_to: 16  - symbol: P  # 17    coordinates: [  0.017843280000000,  0.776085810000000,  0.635160790000000 ]    mass: 30.973762    reduced_to: 17  - symbol: P  # 18    coordinates: [  0.982156720000000,  0.276085810000000,  0.864839210000000 ]    mass: 30.973762    reduced_to: 18  - symbol: P  # 19    coordinates: [  0.982156720000000,  0.223914190000000,  0.364839210000000 ]    mass: 30.973762    reduced_to: 19  - symbol: P  # 20    coordinates: [  0.017843280000000,  0.723914190000000,  0.135160790000000 ]    mass: 30.973762    reduced_to: 20  - symbol: P  # 21    coordinates: [  0.902733000000000,  0.000954520000000,  0.812844390000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 22    coordinates: [  0.097267000000000,  0.500954520000000,  0.687155610000000 ]    mass: 30.973762    reduced_to: 22  - symbol: P  # 23    coordinates: [  0.097267000000000,  0.999045480000000,  0.187155610000000 ]    mass: 30.973762    reduced_to: 23  - symbol: P  # 24    coordinates: [  0.902733000000000,  0.499045480000000,  0.312844390000000 ]    mass: 30.973762    reduced_to: 24  - symbol: P  # 25    coordinates: [  0.254403340000000,  0.645736530000000,  0.644800210000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 26    coordinates: [  0.745596660000000,  0.145736530000000,  0.855199790000000 ]    mass: 30.973762    reduced_to: 26  - symbol: P  # 27    coordinates: [  0.745596660000000,  0.354263470000000,  0.355199790000000 ]    mass: 30.973762    reduced_to: 27  - symbol: P  # 28    coordinates: [  0.254403340000000,  0.854263470000000,  0.144800210000000 ]    mass: 30.973762    reduced_to: 28  - symbol: Sr # 29    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 87.620000    reduced_to: 29  - symbol: Sr # 30    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 87.620000    reduced_to: 30  - symbol: Sr # 31    coordinates: [  0.577498860000000,  0.842295980000000,  0.876624430000000 ]    mass: 87.620000    reduced_to: 31  - symbol: Sr # 32    coordinates: [  0.422501140000000,  0.342295980000000,  0.623375570000000 ]    mass: 87.620000    reduced_to: 32  - symbol: Sr # 33    coordinates: [  0.422501140000000,  0.157704020000000,  0.123375570000000 ]    mass: 87.620000    reduced_to: 33  - symbol: Sr # 34    coordinates: [  0.577498860000000,  0.657704020000000,  0.376624430000000 ]    mass: 87.620000    reduced_to: 34supercell:  lattice:  - [    12.535583060000000,     0.000000000000000,    -0.016205720000000 ] # a  - [     0.000000000000000,    12.608937490000001,     0.000000000000000 ] # b  - [   -12.577255940000001,     0.000000000000000,    19.000021539999999 ] # c  points:  - symbol: P  # 1    coordinates: [  0.146247715000000,  0.684515610000000,  0.481668390000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 2    coordinates: [  0.646247715000000,  0.684515610000000,  0.481668390000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 3    coordinates: [  0.146247715000000,  0.684515610000000,  0.981668390000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 4    coordinates: [  0.646247715000000,  0.684515610000000,  0.981668390000000 ]    mass: 30.973762    reduced_to: 1  - symbol: P  # 5    coordinates: [  0.353752285000000,  0.184515610000000,  0.268331610000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 6    coordinates: [  0.853752285000000,  0.184515610000000,  0.268331610000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 7    coordinates: [  0.353752285000000,  0.184515610000000,  0.768331610000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 8    coordinates: [  0.853752285000000,  0.184515610000000,  0.768331610000000 ]    mass: 30.973762    reduced_to: 5  - symbol: P  # 9    coordinates: [  0.353752285000000,  0.315484390000000,  0.018331610000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 10    coordinates: [  0.853752285000000,  0.315484390000000,  0.018331610000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 11    coordinates: [  0.353752285000000,  0.315484390000000,  0.518331610000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 12    coordinates: [  0.853752285000000,  0.315484390000000,  0.518331610000000 ]    mass: 30.973762    reduced_to: 9  - symbol: P  # 13    coordinates: [  0.146247715000000,  0.815484390000000,  0.231668390000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 14    coordinates: [  0.646247715000000,  0.815484390000000,  0.231668390000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 15    coordinates: [  0.146247715000000,  0.815484390000000,  0.731668390000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 16    coordinates: [  0.646247715000000,  0.815484390000000,  0.731668390000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 17    coordinates: [  0.216965395000000,  0.581764220000000,  0.434857975000000 ]    mass: 30.973762    reduced_to: 17  - symbol: P  # 18    coordinates: [  0.716965395000000,  0.581764220000000,  0.434857975000000 ]    mass: 30.973762    reduced_to: 17  - symbol: P  # 19    coordinates: [  0.216965395000000,  0.581764220000000,  0.934857975000000 ]    mass: 30.973762    reduced_to: 17  - symbol: P  # 20    coordinates: [  0.716965395000000,  0.581764220000000,  0.934857975000000 ]    mass: 30.973762    reduced_to: 17  - symbol: P  # 21    coordinates: [  0.283034605000000,  0.081764220000000,  0.315142025000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 22    coordinates: [  0.783034605000000,  0.081764220000000,  0.315142025000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 23    coordinates: [  0.283034605000000,  0.081764220000000,  0.815142025000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 24    coordinates: [  0.783034605000000,  0.081764220000000,  0.815142025000000 ]    mass: 30.973762    reduced_to: 21  - symbol: P  # 25    coordinates: [  0.283034605000000,  0.418235780000000,  0.065142025000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 26    coordinates: [  0.783034605000000,  0.418235780000000,  0.065142025000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 27    coordinates: [  0.283034605000000,  0.418235780000000,  0.565142025000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 28    coordinates: [  0.783034605000000,  0.418235780000000,  0.565142025000000 ]    mass: 30.973762    reduced_to: 25  - symbol: P  # 29    coordinates: [  0.216965395000000,  0.918235780000000,  0.184857975000000 ]    mass: 30.973762    reduced_to: 29  - symbol: P  # 30    coordinates: [  0.716965395000000,  0.918235780000000,  0.184857975000000 ]    mass: 30.973762    reduced_to: 29  - symbol: P  # 31    coordinates: [  0.216965395000000,  0.918235780000000,  0.684857975000000 ]    mass: 30.973762    reduced_to: 29  - symbol: P  # 32    coordinates: [  0.716965395000000,  0.918235780000000,  0.684857975000000 ]    mass: 30.973762    reduced_to: 29  - symbol: P  # 33    coordinates: [  0.454128110000000,  0.713488820000000,  0.386939210000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 34    coordinates: [  0.954128110000000,  0.713488820000000,  0.386939210000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 35    coordinates: [  0.454128110000000,  0.713488820000000,  0.886939210000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 36    coordinates: [  0.954128110000000,  0.713488820000000,  0.886939210000000 ]    mass: 30.973762    reduced_to: 33  - symbol: P  # 37    coordinates: [  0.045871890000000,  0.213488820000000,  0.363060790000000 ]    mass: 30.973762    reduced_to: 37  - symbol: P  # 38    coordinates: [  0.545871890000000,  0.213488820000000,  0.363060790000000 ]    mass: 30.973762    reduced_to: 37  - symbol: P  # 39    coordinates: [  0.045871890000000,  0.213488820000000,  0.863060790000000 ]    mass: 30.973762    reduced_to: 37  - symbol: P  # 40    coordinates: [  0.545871890000000,  0.213488820000000,  0.863060790000000 ]    mass: 30.973762    reduced_to: 37  - symbol: P  # 41    coordinates: [  0.045871890000000,  0.286511180000000,  0.113060790000000 ]    mass: 30.973762    reduced_to: 41  - symbol: P  # 42    coordinates: [  0.545871890000000,  0.286511180000000,  0.113060790000000 ]    mass: 30.973762    reduced_to: 41  - symbol: P  # 43    coordinates: [  0.045871890000000,  0.286511180000000,  0.613060790000000 ]    mass: 30.973762    reduced_to: 41  - symbol: P  # 44    coordinates: [  0.545871890000000,  0.286511180000000,  0.613060790000000 ]    mass: 30.973762    reduced_to: 41  - symbol: P  # 45    coordinates: [  0.454128110000000,  0.786511180000000,  0.136939210000000 ]    mass: 30.973762    reduced_to: 45  - symbol: P  # 46    coordinates: [  0.954128110000000,  0.786511180000000,  0.136939210000000 ]    mass: 30.973762    reduced_to: 45  - symbol: P  # 47    coordinates: [  0.454128110000000,  0.786511180000000,  0.636939210000000 ]    mass: 30.973762    reduced_to: 45  - symbol: P  # 48    coordinates: [  0.954128110000000,  0.786511180000000,  0.636939210000000 ]    mass: 30.973762    reduced_to: 45  - symbol: P  # 49    coordinates: [  0.379999600000000,  0.556370060000000,  0.338764080000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 50    coordinates: [  0.879999600000000,  0.556370060000000,  0.338764080000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 51    coordinates: [  0.379999600000000,  0.556370060000000,  0.838764080000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 52    coordinates: [  0.879999600000000,  0.556370060000000,  0.838764080000000 ]    mass: 30.973762    reduced_to: 49  - symbol: P  # 53    coordinates: [  0.120000400000000,  0.056370060000000,  0.411235920000000 ]    mass: 30.973762    reduced_to: 53  - 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