# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c58dd002-32bc-4cd3-be0e-b455fcb78482/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 Sr2VN3 / C2/c (15) / materials id 17012](https://mdr.nims.go.jp/datasets/6f01ab72-041b-4351-8a43-67d503b135a6)

## 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:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     2.835272160000000,    -5.459796830000000,    -0.007481720000000 ] # a  - [     2.835272160000000,     5.459796830000000,    -0.007481720000000 ] # b  - [    -0.199405870000000,     0.000000000000000,    12.217790350000000 ] # c  points:  - symbol: N  # 1    coordinates: [  0.143923880000000,  0.323564420000000,  0.045075900000000 ]    mass: 14.006700  - symbol: N  # 2    coordinates: [  0.676435580000000,  0.856076120000000,  0.454924100000000 ]    mass: 14.006700  - symbol: N  # 3    coordinates: [  0.856076120000000,  0.676435580000000,  0.954924100000000 ]    mass: 14.006700  - symbol: N  # 4    coordinates: [  0.323564420000000,  0.143923880000000,  0.545075900000000 ]    mass: 14.006700  - symbol: N  # 5    coordinates: [  0.981113470000000,  0.018886530000000,  0.250000000000000 ]    mass: 14.006700  - symbol: N  # 6    coordinates: [  0.018886530000000,  0.981113470000000,  0.750000000000000 ]    mass: 14.006700  - symbol: N  # 7    coordinates: [  0.439051140000000,  0.560948860000000,  0.250000000000000 ]    mass: 14.006700  - symbol: N  # 8    coordinates: [  0.550798650000000,  0.871577230000000,  0.867266760000000 ]    mass: 14.006700  - symbol: N  # 9    coordinates: [  0.871577230000000,  0.550798650000000,  0.367266760000000 ]    mass: 14.006700  - symbol: N  # 10    coordinates: [  0.449201350000000,  0.128422770000000,  0.132733240000000 ]    mass: 14.006700  - symbol: N  # 11    coordinates: [  0.128422770000000,  0.449201350000000,  0.632733240000000 ]    mass: 14.006700  - symbol: N  # 12    coordinates: [  0.560948860000000,  0.439051140000000,  0.750000000000000 ]    mass: 14.006700  - symbol: V  # 13    coordinates: [  0.256613240000000,  0.259664000000000,  0.663981430000000 ]    mass: 50.941500  - symbol: V  # 14    coordinates: [  0.743386760000000,  0.740336000000000,  0.336018570000000 ]    mass: 50.941500  - symbol: V  # 15    coordinates: [  0.740336000000000,  0.743386760000000,  0.836018570000000 ]    mass: 50.941500  - symbol: V  # 16    coordinates: [  0.259664000000000,  0.256613240000000,  0.163981430000000 ]    mass: 50.941500  - symbol: Sr # 17    coordinates: [  0.045819420000000,  0.442717900000000,  0.853157560000000 ]    mass: 87.620000  - symbol: Sr # 18    coordinates: [  0.442717900000000,  0.045819420000000,  0.353157560000000 ]    mass: 87.620000  - symbol: Sr # 19    coordinates: [  0.954180580000000,  0.557282100000000,  0.146842440000000 ]    mass: 87.620000  - symbol: Sr # 20    coordinates: [  0.557282100000000,  0.954180580000000,  0.646842440000000 ]    mass: 87.620000  - symbol: Sr # 21    coordinates: [  0.132251220000000,  0.353810840000000,  0.422902740000000 ]    mass: 87.620000  - symbol: Sr # 22    coordinates: [  0.646189160000000,  0.867748780000000,  0.077097260000000 ]    mass: 87.620000  - symbol: Sr # 23    coordinates: [  0.867748780000000,  0.646189160000000,  0.577097260000000 ]    mass: 87.620000  - symbol: Sr # 24    coordinates: [  0.353810840000000,  0.132251220000000,  0.922902740000000 ]    mass: 87.620000  reciprocal_lattice: # without 2pi  - [     0.176357508759141,    -0.091578499268076,     0.002878320994037 ] # a*  - [     0.176357508759141,     0.091578499268076,     0.002878320994037 ] # b*  - [     0.000215989546822,     0.000000000000000,     0.081851385638115 ] # c*unit_cell:  lattice:  - [     5.670544320000000,     0.000000000000000,    -0.014963440000000 ] # a  - [     0.000000000000000,    10.919593660000000,     0.000000000000000 ] # b  - [    -0.199405870000000,     0.000000000000000,    12.217790350000000 ] # c  points:  - symbol: N  # 1    coordinates: [  0.233744150000000,  0.089820270000000,  0.045075900000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.766255850000000,  0.089820270000000,  0.454924100000000 ]    mass: 14.006700    reduced_to: 2  - symbol: N  # 3    coordinates: [  0.266255850000000,  0.410179730000000,  0.954924100000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 4    coordinates: [  0.733744150000000,  0.410179730000000,  0.545075900000000 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 5    coordinates: [  0.000000000000000,  0.018886530000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 6    coordinates: [  0.500000000000000,  0.481113470000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 6  - symbol: N  # 7    coordinates: [  0.500000000000000,  0.060948860000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 8    coordinates: [  0.711187940000000,  0.160389290000000,  0.867266760000000 ]    mass: 14.006700    reduced_to: 8  - symbol: N  # 9    coordinates: [  0.211187940000000,  0.339610710000000,  0.367266760000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 10    coordinates: [  0.788812060000000,  0.339610710000000,  0.132733240000000 ]    mass: 14.006700    reduced_to: 10  - symbol: N  # 11    coordinates: [  0.288812060000000,  0.160389290000000,  0.632733240000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 12    coordinates: [  0.000000000000000,  0.439051140000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 12  - symbol: N  # 13    coordinates: [  0.733744150000000,  0.589820270000000,  0.045075900000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 14    coordinates: [  0.266255850000000,  0.589820270000000,  0.454924100000000 ]    mass: 14.006700    reduced_to: 2  - symbol: N  # 15    coordinates: [  0.766255850000000,  0.910179730000000,  0.954924100000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 16    coordinates: [  0.233744150000000,  0.910179730000000,  0.545075900000000 ]    mass: 14.006700    reduced_to: 4  - symbol: N  # 17    coordinates: [  0.500000000000000,  0.518886530000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 18    coordinates: [  0.000000000000000,  0.981113470000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 6  - symbol: N  # 19    coordinates: [  0.000000000000000,  0.560948860000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 20    coordinates: [  0.211187940000000,  0.660389290000000,  0.867266760000000 ]    mass: 14.006700    reduced_to: 8  - symbol: N  # 21    coordinates: [  0.711187940000000,  0.839610710000000,  0.367266760000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 22    coordinates: [  0.288812060000000,  0.839610710000000,  0.132733240000000 ]    mass: 14.006700    reduced_to: 10  - symbol: N  # 23    coordinates: [  0.788812060000000,  0.660389290000000,  0.632733240000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 24    coordinates: [  0.500000000000000,  0.939051140000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 12  - symbol: V  # 25    coordinates: [  0.258138620000000,  0.001525380000000,  0.663981430000000 ]    mass: 50.941500    reduced_to: 25  - symbol: V  # 26    coordinates: [  0.241861380000000,  0.498474620000000,  0.336018570000000 ]    mass: 50.941500    reduced_to: 26  - symbol: V  # 27    coordinates: [  0.741861380000000,  0.001525380000000,  0.836018570000000 ]    mass: 50.941500    reduced_to: 27  - symbol: V  # 28    coordinates: [  0.758138620000000,  0.498474620000000,  0.163981430000000 ]    mass: 50.941500    reduced_to: 28  - symbol: V  # 29    coordinates: [  0.758138620000000,  0.501525380000000,  0.663981430000000 ]    mass: 50.941500    reduced_to: 25  - symbol: V  # 30    coordinates: [  0.741861380000000,  0.998474620000000,  0.336018570000000 ]    mass: 50.941500    reduced_to: 26  - symbol: V  # 31    coordinates: [  0.241861380000000,  0.501525380000000,  0.836018570000000 ]    mass: 50.941500    reduced_to: 27  - symbol: V  # 32    coordinates: [  0.258138620000000,  0.998474620000000,  0.163981430000000 ]    mass: 50.941500    reduced_to: 28  - symbol: Sr # 33    coordinates: [  0.244268660000000,  0.198449240000000,  0.853157560000000 ]    mass: 87.620000    reduced_to: 33  - symbol: Sr # 34    coordinates: [  0.744268660000000,  0.301550760000000,  0.353157560000000 ]    mass: 87.620000    reduced_to: 34  - symbol: Sr # 35    coordinates: [  0.255731340000000,  0.301550760000000,  0.146842440000000 ]    mass: 87.620000    reduced_to: 35  - symbol: Sr # 36    coordinates: [  0.755731340000000,  0.198449240000000,  0.646842440000000 ]    mass: 87.620000    reduced_to: 36  - symbol: Sr # 37    coordinates: [  0.243031030000000,  0.110779810000000,  0.422902740000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 38    coordinates: [  0.756968970000000,  0.110779810000000,  0.077097260000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 39    coordinates: [  0.256968970000000,  0.389220190000000,  0.577097260000000 ]    mass: 87.620000    reduced_to: 39  - symbol: Sr # 40    coordinates: [  0.743031030000000,  0.389220190000000,  0.922902740000000 ]    mass: 87.620000    reduced_to: 40  - symbol: Sr # 41    coordinates: [  0.744268660000000,  0.698449240000000,  0.853157560000000 ]    mass: 87.620000    reduced_to: 33  - symbol: Sr # 42    coordinates: [  0.244268660000000,  0.801550760000000,  0.353157560000000 ]    mass: 87.620000    reduced_to: 34  - symbol: Sr # 43    coordinates: [  0.755731340000000,  0.801550760000000,  0.146842440000000 ]    mass: 87.620000    reduced_to: 35  - symbol: Sr # 44    coordinates: [  0.255731340000000,  0.698449240000000,  0.646842440000000 ]    mass: 87.620000    reduced_to: 36  - symbol: Sr # 45    coordinates: [  0.743031030000000,  0.610779810000000,  0.422902740000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 46    coordinates: [  0.256968970000000,  0.610779810000000,  0.077097260000000 ]    mass: 87.620000    reduced_to: 38  - symbol: Sr # 47    coordinates: [  0.756968970000000,  0.889220190000000,  0.577097260000000 ]    mass: 87.620000    reduced_to: 39  - symbol: Sr # 48    coordinates: [  0.243031030000000,  0.889220190000000,  0.922902740000000 ]    mass: 87.620000    reduced_to: 40supercell:  lattice:  - [    11.341088640000001,     0.000000000000000,    -0.029926880000000 ] # a  - [     0.000000000000000,    10.919593660000000,     0.000000000000000 ] # b  - [    -0.199405870000000,     0.000000000000000,    12.217790350000000 ] # c  points:  - symbol: N  # 1    coordinates: [  0.116872075000000,  0.089820270000000,  0.045075900000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.616872075000000,  0.089820270000000,  0.045075900000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 3    coordinates: [  0.383127925000000,  0.089820270000000,  0.454924100000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 4    coordinates: [  0.883127925000000,  0.089820270000000,  0.454924100000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 5    coordinates: [  0.133127925000000,  0.410179730000000,  0.954924100000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 6    coordinates: [  0.633127925000000,  0.410179730000000,  0.954924100000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 7    coordinates: [  0.366872075000000,  0.410179730000000,  0.545075900000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 8    coordinates: [  0.866872075000000,  0.410179730000000,  0.545075900000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 9    coordinates: [  0.000000000000000,  0.018886530000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 10    coordinates: [  0.500000000000000,  0.018886530000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 11    coordinates: [  0.250000000000000,  0.481113470000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 12    coordinates: [  0.750000000000000,  0.481113470000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 13    coordinates: [  0.250000000000000,  0.060948860000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 14    coordinates: [  0.750000000000000,  0.060948860000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 15    coordinates: [  0.355593970000000,  0.160389290000000,  0.867266760000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 16    coordinates: [  0.855593970000000,  0.160389290000000,  0.867266760000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 17    coordinates: [  0.105593970000000,  0.339610710000000,  0.367266760000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 18    coordinates: [  0.605593970000000,  0.339610710000000,  0.367266760000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 19    coordinates: [  0.394406030000000,  0.339610710000000,  0.132733240000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 20    coordinates: [  0.894406030000000,  0.339610710000000,  0.132733240000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 21    coordinates: [  0.144406030000000,  0.160389290000000,  0.632733240000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 22    coordinates: [  0.644406030000000,  0.160389290000000,  0.632733240000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 23    coordinates: [  0.000000000000000,  0.439051140000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 23  - symbol: N  # 24    coordinates: [  0.500000000000000,  0.439051140000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 23  - symbol: N  # 25    coordinates: [  0.366872075000000,  0.589820270000000,  0.045075900000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 26    coordinates: [  0.866872075000000,  0.589820270000000,  0.045075900000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 27    coordinates: [  0.133127925000000,  0.589820270000000,  0.454924100000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 28    coordinates: [  0.633127925000000,  0.589820270000000,  0.454924100000000 ]    mass: 14.006700    reduced_to: 3  - symbol: N  # 29    coordinates: [  0.383127925000000,  0.910179730000000,  0.954924100000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 30    coordinates: [  0.883127925000000,  0.910179730000000,  0.954924100000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 31    coordinates: [  0.116872075000000,  0.910179730000000,  0.545075900000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 32    coordinates: [  0.616872075000000,  0.910179730000000,  0.545075900000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 33    coordinates: [  0.250000000000000,  0.518886530000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 34    coordinates: [  0.750000000000000,  0.518886530000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 9  - symbol: N  # 35    coordinates: [  0.000000000000000,  0.981113470000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 36    coordinates: [  0.500000000000000,  0.981113470000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 11  - symbol: N  # 37    coordinates: [  0.000000000000000,  0.560948860000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 38    coordinates: [  0.500000000000000,  0.560948860000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 13  - symbol: N  # 39    coordinates: [  0.105593970000000,  0.660389290000000,  0.867266760000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 40    coordinates: [  0.605593970000000,  0.660389290000000,  0.867266760000000 ]    mass: 14.006700    reduced_to: 15  - symbol: N  # 41    coordinates: [  0.355593970000000,  0.839610710000000,  0.367266760000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 42    coordinates: [  0.855593970000000,  0.839610710000000,  0.367266760000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 43    coordinates: [  0.144406030000000,  0.839610710000000,  0.132733240000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 44    coordinates: [  0.644406030000000,  0.839610710000000,  0.132733240000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 45    coordinates: [  0.394406030000000,  0.660389290000000,  0.632733240000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 46    coordinates: [  0.894406030000000,  0.660389290000000,  0.632733240000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 47    coordinates: [  0.250000000000000,  0.939051140000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 23  - symbol: N  # 48    coordinates: [  0.750000000000000,  0.939051140000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 23  - symbol: V  # 49    coordinates: [  0.129069310000000,  0.001525380000000,  0.663981430000000 ]    mass: 50.941500    reduced_to: 49  - symbol: V  # 50    coordinates: [  0.629069310000000,  0.001525380000000,  0.663981430000000 ]    mass: 50.941500    reduced_to: 49  - symbol: V  # 51    coordinates: [  0.120930690000000,  0.498474620000000,  0.336018570000000 ]    mass: 50.941500    reduced_to: 51  - symbol: V  # 52    coordinates: [  0.620930690000000,  0.498474620000000,  0.336018570000000 ]    mass: 50.941500    reduced_to: 51  - symbol: V  # 53    coordinates: [  0.370930690000000,  0.001525380000000,  0.836018570000000 ]    mass: 50.941500    reduced_to: 53  - symbol: V  # 54    coordinates: [  0.870930690000000,  0.001525380000000,  0.836018570000000 ]    mass: 50.941500    reduced_to: 53  - symbol: V  # 55    coordinates: [  0.379069310000000,  0.498474620000000,  0.163981430000000 ]    mass: 50.941500    reduced_to: 55  - symbol: V  # 56    coordinates: [  0.879069310000000,  0.498474620000000,  0.163981430000000 ]    mass: 50.941500    reduced_to: 55  - symbol: V  # 57    coordinates: [  0.379069310000000,  0.501525380000000,  0.663981430000000 ]    mass: 50.941500    reduced_to: 49  - symbol: V  # 58    coordinates: [  0.879069310000000,  0.501525380000000,  0.663981430000000 ]    mass: 50.941500    reduced_to: 49  - symbol: V  # 59    coordinates: [  0.370930690000000,  0.998474620000000,  0.336018570000000 ]    mass: 50.941500    reduced_to: 51  - symbol: V  # 60    coordinates: [  0.870930690000000,  0.998474620000000,  0.336018570000000 ]    mass: 50.941500    reduced_to: 51  - symbol: V  # 61    coordinates: [  0.120930690000000,  0.501525380000000,  0.836018570000000 ]    mass: 50.941500    reduced_to: 53  - symbol: V  # 62    coordinates: [  0.620930690000000,  0.501525380000000,  0.836018570000000 ]    mass: 50.941500    reduced_to: 53  - symbol: V  # 63    coordinates: [  0.129069310000000,  0.998474620000000,  0.163981430000000 ]    mass: 50.941500    reduced_to: 55  - symbol: V  # 64    coordinates: [  0.629069310000000,  0.998474620000000,  0.163981430000000 ]    mass: 50.941500    reduced_to: 55  - symbol: Sr # 65    coordinates: [  0.122134330000000,  0.198449240000000,  0.853157560000000 ]    mass: 87.620000    reduced_to: 65  - symbol: Sr # 66    coordinates: [  0.622134330000000,  0.198449240000000,  0.853157560000000 ]    mass: 87.620000    reduced_to: 65  - symbol: Sr # 67    coordinates: [  0.372134330000000,  0.301550760000000,  0.353157560000000 ]    mass: 87.620000    reduced_to: 67  - symbol: Sr # 68    coordinates: [  0.872134330000000,  0.301550760000000,  0.353157560000000 ]    mass: 87.620000    reduced_to: 67  - symbol: Sr # 69    coordinates: [  0.127865670000000,  0.301550760000000,  0.146842440000000 ]    mass: 87.620000    reduced_to: 69  - symbol: Sr # 70    coordinates: [  0.627865670000000,  0.301550760000000,  0.146842440000000 ]    mass: 87.620000    reduced_to: 69  - 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