# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b8f3fab6-8e33-4936-bba3-de7640fa6771/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 SrReN3 / C2/c (15) / materials id 989623](https://mdr.nims.go.jp/datasets/abd63e17-276f-4918-a5e6-01489b87b15f)

## 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: "C2/c"  number: 15  Hall_symbol: "-C 2yc"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     5.459286945000000,    -5.170653290000000,     0.026556360000000 ] # a  - [     5.459286945000000,     5.170653290000000,     0.026556360000000 ] # b  - [    -1.828529290000000,     0.000000000000000,     5.915058370000000 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.316549870000000,  0.683450130000000,  0.250000000000000 ]    mass: 87.620000  - symbol: Sr # 2    coordinates: [  0.909590530000000,  0.090409470000000,  0.250000000000000 ]    mass: 87.620000  - symbol: Sr # 3    coordinates: [  0.090409470000000,  0.909590530000000,  0.750000000000000 ]    mass: 87.620000  - symbol: Sr # 4    coordinates: [  0.683450130000000,  0.316549870000000,  0.750000000000000 ]    mass: 87.620000  - symbol: Re # 5    coordinates: [  0.376626020000000,  0.203481440000000,  0.248583670000000 ]    mass: 186.207000  - symbol: Re # 6    coordinates: [  0.796518560000000,  0.623373980000000,  0.251416330000000 ]    mass: 186.207000  - symbol: Re # 7    coordinates: [  0.203481440000000,  0.376626020000000,  0.748583670000000 ]    mass: 186.207000  - symbol: Re # 8    coordinates: [  0.623373980000000,  0.796518560000000,  0.751416330000000 ]    mass: 186.207000  - symbol: N  # 9    coordinates: [  0.012198600000000,  0.231913960000000,  0.664520110000000 ]    mass: 14.006700  - symbol: N  # 10    coordinates: [  0.401073000000000,  0.870802480000000,  0.663512110000000 ]    mass: 14.006700  - symbol: N  # 11    coordinates: [  0.634182550000000,  0.673635290000000,  0.993558200000000 ]    mass: 14.006700  - symbol: N  # 12    coordinates: [  0.870802480000000,  0.401073000000000,  0.163512110000000 ]    mass: 14.006700  - symbol: N  # 13    coordinates: [  0.598927000000000,  0.129197520000000,  0.336487890000000 ]    mass: 14.006700  - symbol: N  # 14    coordinates: [  0.987801400000000,  0.768086040000000,  0.335479890000000 ]    mass: 14.006700  - symbol: N  # 15    coordinates: [  0.231913960000000,  0.012198600000000,  0.164520110000000 ]    mass: 14.006700  - symbol: N  # 16    coordinates: [  0.673635290000000,  0.634182550000000,  0.493558200000000 ]    mass: 14.006700  - symbol: N  # 17    coordinates: [  0.326364710000000,  0.365817450000000,  0.506441800000000 ]    mass: 14.006700  - symbol: N  # 18    coordinates: [  0.768086040000000,  0.987801400000000,  0.835479890000000 ]    mass: 14.006700  - symbol: N  # 19    coordinates: [  0.129197520000000,  0.598927000000000,  0.836487890000000 ]    mass: 14.006700  - symbol: N  # 20    coordinates: [  0.365817450000000,  0.326364710000000,  0.006441800000000 ]    mass: 14.006700  reciprocal_lattice: # without 2pi  - [     0.091449535293731,    -0.096699579715970,     0.028269907646148 ] # a*  - [     0.091449535293731,     0.096699579715970,     0.028269907646148 ] # b*  - [    -0.000821147190503,     0.000000000000000,     0.168806196972620 ] # c*unit_cell:  lattice:  - [    10.918573889999999,     0.000000000000000,     0.053112720000000 ] # a  - [     0.000000000000000,    10.341306579999999,     0.000000000000000 ] # b  - [    -1.828529290000000,     0.000000000000000,     5.915058370000000 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.000000000000000,  0.683450130000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 2    coordinates: [  0.000000000000000,  0.090409470000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Sr # 3    coordinates: [  0.000000000000000,  0.909590530000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 4    coordinates: [  0.000000000000000,  0.316549870000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 4  - symbol: Sr # 5    coordinates: [  0.500000000000000,  0.183450130000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 6    coordinates: [  0.500000000000000,  0.590409470000000,  0.250000000000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Sr # 7    coordinates: [  0.500000000000000,  0.409590530000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 8    coordinates: [  0.500000000000000,  0.816549870000000,  0.750000000000000 ]    mass: 87.620000    reduced_to: 4  - symbol: Re # 9    coordinates: [  0.790053730000000,  0.413427710000000,  0.248583670000000 ]    mass: 186.207000    reduced_to: 9  - symbol: Re # 10    coordinates: [  0.209946270000000,  0.413427710000000,  0.251416330000000 ]    mass: 186.207000    reduced_to: 10  - symbol: Re # 11    coordinates: [  0.790053730000000,  0.586572290000000,  0.748583670000000 ]    mass: 186.207000    reduced_to: 11  - symbol: Re # 12    coordinates: [  0.209946270000000,  0.586572290000000,  0.751416330000000 ]    mass: 186.207000    reduced_to: 12  - symbol: Re # 13    coordinates: [  0.290053730000000,  0.913427710000000,  0.248583670000000 ]    mass: 186.207000    reduced_to: 9  - symbol: Re # 14    coordinates: [  0.709946270000000,  0.913427710000000,  0.251416330000000 ]    mass: 186.207000    reduced_to: 10  - symbol: Re # 15    coordinates: [  0.290053730000000,  0.086572290000000,  0.748583670000000 ]    mass: 186.207000    reduced_to: 11  - symbol: Re # 16    coordinates: [  0.709946270000000,  0.086572290000000,  0.751416330000000 ]    mass: 186.207000    reduced_to: 12  - symbol: N  # 17    coordinates: [  0.622056280000000,  0.609857680000000,  0.664520110000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 18    coordinates: [  0.135937740000000,  0.734864740000000,  0.663512110000000 ]    mass: 14.006700    reduced_to: 18  - symbol: N  # 19    coordinates: [  0.153908920000000,  0.519726370000000,  0.993558200000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 20    coordinates: [  0.135937740000000,  0.265135260000000,  0.163512110000000 ]    mass: 14.006700    reduced_to: 20  - symbol: N  # 21    coordinates: [  0.864062260000000,  0.265135260000000,  0.336487890000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 22    coordinates: [  0.377943720000000,  0.390142320000000,  0.335479890000000 ]    mass: 14.006700    reduced_to: 22  - symbol: N  # 23    coordinates: [  0.622056280000000,  0.390142320000000,  0.164520110000000 ]    mass: 14.006700    reduced_to: 23  - symbol: N  # 24    coordinates: [  0.153908920000000,  0.480273630000000,  0.493558200000000 ]    mass: 14.006700    reduced_to: 24  - symbol: N  # 25    coordinates: [  0.846091080000000,  0.519726370000000,  0.506441800000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 26    coordinates: [  0.377943720000000,  0.609857680000000,  0.835479890000000 ]    mass: 14.006700    reduced_to: 26  - symbol: N  # 27    coordinates: [  0.864062260000000,  0.734864740000000,  0.836487890000000 ]    mass: 14.006700    reduced_to: 27  - symbol: N  # 28    coordinates: [  0.846091080000000,  0.480273630000000,  0.006441800000000 ]    mass: 14.006700    reduced_to: 28  - symbol: N  # 29    coordinates: [  0.122056280000000,  0.109857680000000,  0.664520110000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 30    coordinates: [  0.635937740000000,  0.234864740000000,  0.663512110000000 ]    mass: 14.006700    reduced_to: 18  - symbol: N  # 31    coordinates: [  0.653908920000000,  0.019726370000000,  0.993558200000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 32    coordinates: [  0.635937740000000,  0.765135260000000,  0.163512110000000 ]    mass: 14.006700    reduced_to: 20  - symbol: N  # 33    coordinates: [  0.364062260000000,  0.765135260000000,  0.336487890000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 34    coordinates: [  0.877943720000000,  0.890142320000000,  0.335479890000000 ]    mass: 14.006700    reduced_to: 22  - symbol: N  # 35    coordinates: [  0.122056280000000,  0.890142320000000,  0.164520110000000 ]    mass: 14.006700    reduced_to: 23  - symbol: N  # 36    coordinates: [  0.653908920000000,  0.980273630000000,  0.493558200000000 ]    mass: 14.006700    reduced_to: 24  - symbol: N  # 37    coordinates: [  0.346091080000000,  0.019726370000000,  0.506441800000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 38    coordinates: [  0.877943720000000,  0.109857680000000,  0.835479890000000 ]    mass: 14.006700    reduced_to: 26  - symbol: N  # 39    coordinates: [  0.364062260000000,  0.234864740000000,  0.836487890000000 ]    mass: 14.006700    reduced_to: 27  - symbol: N  # 40    coordinates: [  0.346091080000000,  0.980273630000000,  0.006441800000000 ]    mass: 14.006700    reduced_to: 28supercell:  lattice:  - [    10.918573889999999,     0.000000000000000,     0.053112720000000 ] # a  - [     0.000000000000000,    10.341306579999999,     0.000000000000000 ] # b  - [    -3.657058580000000,     0.000000000000000,    11.830116739999999 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.000000000000000,  0.683450130000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 2    coordinates: [  0.000000000000000,  0.683450130000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 3    coordinates: [  0.000000000000000,  0.090409470000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 4    coordinates: [  0.000000000000000,  0.090409470000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 5    coordinates: [  0.000000000000000,  0.909590530000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 5  - symbol: Sr # 6    coordinates: [  0.000000000000000,  0.909590530000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 5  - symbol: Sr # 7    coordinates: [  0.000000000000000,  0.316549870000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 7  - symbol: Sr # 8    coordinates: [  0.000000000000000,  0.316549870000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 7  - symbol: Sr # 9    coordinates: [  0.500000000000000,  0.183450130000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 10    coordinates: [  0.500000000000000,  0.183450130000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 11    coordinates: [  0.500000000000000,  0.590409470000000,  0.125000000000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 12    coordinates: [  0.500000000000000,  0.590409470000000,  0.625000000000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 13    coordinates: [  0.500000000000000,  0.409590530000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 5  - symbol: Sr # 14    coordinates: [  0.500000000000000,  0.409590530000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 5  - symbol: Sr # 15    coordinates: [  0.500000000000000,  0.816549870000000,  0.375000000000000 ]    mass: 87.620000    reduced_to: 7  - symbol: Sr # 16    coordinates: [  0.500000000000000,  0.816549870000000,  0.875000000000000 ]    mass: 87.620000    reduced_to: 7  - symbol: Re # 17    coordinates: [  0.790053730000000,  0.413427710000000,  0.124291835000000 ]    mass: 186.207000    reduced_to: 17  - symbol: Re # 18    coordinates: [  0.790053730000000,  0.413427710000000,  0.624291835000000 ]    mass: 186.207000    reduced_to: 17  - symbol: Re # 19    coordinates: [  0.209946270000000,  0.413427710000000,  0.125708165000000 ]    mass: 186.207000    reduced_to: 19  - symbol: Re # 20    coordinates: [  0.209946270000000,  0.413427710000000,  0.625708165000000 ]    mass: 186.207000    reduced_to: 19  - symbol: Re # 21    coordinates: [  0.790053730000000,  0.586572290000000,  0.374291835000000 ]    mass: 186.207000    reduced_to: 21  - symbol: Re # 22    coordinates: [  0.790053730000000,  0.586572290000000,  0.874291835000000 ]    mass: 186.207000    reduced_to: 21  - symbol: Re # 23    coordinates: [  0.209946270000000,  0.586572290000000,  0.375708165000000 ]    mass: 186.207000    reduced_to: 23  - symbol: Re # 24    coordinates: [  0.209946270000000,  0.586572290000000,  0.875708165000000 ]    mass: 186.207000    reduced_to: 23  - symbol: Re # 25    coordinates: [  0.290053730000000,  0.913427710000000,  0.124291835000000 ]    mass: 186.207000    reduced_to: 17  - symbol: Re # 26    coordinates: [  0.290053730000000,  0.913427710000000,  0.624291835000000 ]    mass: 186.207000    reduced_to: 17  - symbol: Re # 27    coordinates: [  0.709946270000000,  0.913427710000000,  0.125708165000000 ]    mass: 186.207000    reduced_to: 19  - symbol: Re # 28    coordinates: [  0.709946270000000,  0.913427710000000,  0.625708165000000 ]    mass: 186.207000    reduced_to: 19  - symbol: Re # 29    coordinates: [  0.290053730000000,  0.086572290000000,  0.374291835000000 ]    mass: 186.207000    reduced_to: 21  - symbol: Re # 30    coordinates: [  0.290053730000000,  0.086572290000000,  0.874291835000000 ]    mass: 186.207000    reduced_to: 21  - symbol: Re # 31    coordinates: [  0.709946270000000,  0.086572290000000,  0.375708165000000 ]    mass: 186.207000    reduced_to: 23  - symbol: Re # 32    coordinates: [  0.709946270000000,  0.086572290000000,  0.875708165000000 ]    mass: 186.207000    reduced_to: 23  - symbol: N  # 33    coordinates: [  0.622056280000000,  0.609857680000000,  0.332260055000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 34    coordinates: [  0.622056280000000,  0.609857680000000,  0.832260055000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 35    coordinates: [  0.135937740000000,  0.734864740000000,  0.331756055000000 ]    mass: 14.006700    reduced_to: 35  - symbol: N  # 36    coordinates: [  0.135937740000000,  0.734864740000000,  0.831756055000000 ]    mass: 14.006700    reduced_to: 35  - symbol: N  # 37    coordinates: [  0.153908920000000,  0.519726370000000,  0.496779100000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 38    coordinates: [  0.153908920000000,  0.519726370000000,  0.996779100000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 39    coordinates: [  0.135937740000000,  0.265135260000000,  0.081756055000000 ]    mass: 14.006700    reduced_to: 39  - symbol: N  # 40    coordinates: [  0.135937740000000,  0.265135260000000,  0.581756055000000 ]    mass: 14.006700    reduced_to: 39  - symbol: N  # 41    coordinates: [  0.864062260000000,  0.265135260000000,  0.168243945000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 42    coordinates: [  0.864062260000000,  0.265135260000000,  0.668243945000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 43    coordinates: [  0.377943720000000,  0.390142320000000,  0.167739945000000 ]    mass: 14.006700    reduced_to: 43  - symbol: N  # 44    coordinates: [  0.377943720000000,  0.390142320000000,  0.667739945000000 ]    mass: 14.006700    reduced_to: 43  - symbol: N  # 45    coordinates: [  0.622056280000000,  0.390142320000000,  0.082260055000000 ]    mass: 14.006700    reduced_to: 45  - symbol: N  # 46    coordinates: [  0.622056280000000,  0.390142320000000,  0.582260055000000 ]    mass: 14.006700    reduced_to: 45  - symbol: N  # 47    coordinates: [  0.153908920000000,  0.480273630000000,  0.246779100000000 ]    mass: 14.006700    reduced_to: 47  - symbol: N  # 48    coordinates: [  0.153908920000000,  0.480273630000000,  0.746779100000000 ]    mass: 14.006700    reduced_to: 47  - symbol: N  # 49    coordinates: [  0.846091080000000,  0.519726370000000,  0.253220900000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 50    coordinates: [  0.846091080000000,  0.519726370000000,  0.753220900000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 51    coordinates: [  0.377943720000000,  0.609857680000000,  0.417739945000000 ]    mass: 14.006700    reduced_to: 51  - symbol: N  # 52    coordinates: [  0.377943720000000,  0.609857680000000,  0.917739945000000 ]    mass: 14.006700    reduced_to: 51  - symbol: N  # 53    coordinates: [  0.864062260000000,  0.734864740000000,  0.418243945000000 ]    mass: 14.006700    reduced_to: 53  - symbol: N  # 54    coordinates: [  0.864062260000000,  0.734864740000000,  0.918243945000000 ]    mass: 14.006700    reduced_to: 53  - symbol: N  # 55    coordinates: [  0.846091080000000,  0.480273630000000,  0.003220900000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 56    coordinates: [  0.846091080000000,  0.480273630000000,  0.503220900000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 57    coordinates: [  0.122056280000000,  0.109857680000000,  0.332260055000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 58    coordinates: [  0.122056280000000,  0.109857680000000,  0.832260055000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 59    coordinates: [  0.635937740000000,  0.234864740000000,  0.331756055000000 ]    mass: 14.006700    reduced_to: 35  - symbol: N  # 60    coordinates: [  0.635937740000000,  0.234864740000000,  0.831756055000000 ]    mass: 14.006700    reduced_to: 35  - symbol: N  # 61    coordinates: [  0.653908920000000,  0.019726370000000,  0.496779100000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 62    coordinates: [  0.653908920000000,  0.019726370000000,  0.996779100000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 63    coordinates: [  0.635937740000000,  0.765135260000000,  0.081756055000000 ]    mass: 14.006700    reduced_to: 39  - symbol: N  # 64    coordinates: [  0.635937740000000,  0.765135260000000,  0.581756055000000 ]    mass: 14.006700    reduced_to: 39  - symbol: N  # 65    coordinates: [  0.364062260000000,  0.765135260000000,  0.168243945000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 66    coordinates: [  0.364062260000000,  0.765135260000000,  0.668243945000000 ]    mass: 14.006700    reduced_to: 41  - 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symbol: N  # 75    coordinates: [  0.877943720000000,  0.109857680000000,  0.417739945000000 ]    mass: 14.006700    reduced_to: 51  - symbol: N  # 76    coordinates: [  0.877943720000000,  0.109857680000000,  0.917739945000000 ]    mass: 14.006700    reduced_to: 51  - symbol: N  # 77    coordinates: [  0.364062260000000,  0.234864740000000,  0.418243945000000 ]    mass: 14.006700    reduced_to: 53  - symbol: N  # 78    coordinates: [  0.364062260000000,  0.234864740000000,  0.918243945000000 ]    mass: 14.006700    reduced_to: 53  - symbol: N  # 79    coordinates: [  0.346091080000000,  0.980273630000000,  0.003220900000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 80    coordinates: [  0.346091080000000,  0.980273630000000,  0.503220900000000 ]    mass: 14.006700    reduced_to: 55displacements:- atom:    1  displacement:    [   0.0099998816883400,  0.0000000000000000,  0.0000486437992266 ]  forces:  - [  -0.0268140700000000, -0.0000129800000000, -0.0160624500000000 ]  - 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