# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/01868a48-8b5d-45d5-94fd-b1c353ae880d/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 La3B2N5 / P2_1/c (14) / materials id 29990](https://mdr.nims.go.jp/datasets/ba69fe3d-0062-4da8-a333-cc5cb3074d4d)

## 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,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     9.598500430000000,     0.000000000000000,     0.003398140000000 ] # a  - [     0.000000000000000,    14.643646300000000,     0.000000000000000 ] # b  - [     0.002549070000000,     0.000000000000000,     7.572537150000000 ] # c  points:  - symbol: B  # 1    coordinates: [  0.939909780000000,  0.143008870000000,  0.034972350000000 ]    mass: 10.811000  - symbol: B  # 2    coordinates: [  0.060090220000000,  0.643008870000000,  0.465027650000000 ]    mass: 10.811000  - symbol: B  # 3    coordinates: [  0.060090220000000,  0.856991130000000,  0.965027650000000 ]    mass: 10.811000  - symbol: B  # 4    coordinates: [  0.939909780000000,  0.356991130000000,  0.534972350000000 ]    mass: 10.811000  - symbol: B  # 5    coordinates: [  0.271653080000000,  0.893049050000000,  0.123863450000000 ]    mass: 10.811000  - symbol: B  # 6    coordinates: [  0.728346920000000,  0.393049050000000,  0.376136550000000 ]    mass: 10.811000  - symbol: B  # 7    coordinates: [  0.728346920000000,  0.106950950000000,  0.876136550000000 ]    mass: 10.811000  - symbol: B  # 8    coordinates: [  0.271653080000000,  0.606950950000000,  0.623863450000000 ]    mass: 10.811000  - symbol: B  # 9    coordinates: [  0.940273960000000,  0.353151200000000,  0.220061490000000 ]    mass: 10.811000  - symbol: B  # 10    coordinates: [  0.059726040000000,  0.853151200000000,  0.279938510000000 ]    mass: 10.811000  - symbol: B  # 11    coordinates: [  0.059726040000000,  0.646848800000000,  0.779938510000000 ]    mass: 10.811000  - symbol: B  # 12    coordinates: [  0.940273960000000,  0.146848800000000,  0.720061490000000 ]    mass: 10.811000  - symbol: B  # 13    coordinates: [  0.594003670000000,  0.751399330000000,  0.623626600000000 ]    mass: 10.811000  - symbol: B  # 14    coordinates: [  0.405996330000000,  0.251399330000000,  0.876373400000000 ]    mass: 10.811000  - symbol: B  # 15    coordinates: [  0.405996330000000,  0.248600670000000,  0.376373400000000 ]    mass: 10.811000  - symbol: B  # 16    coordinates: [  0.594003670000000,  0.748600670000000,  0.123626600000000 ]    mass: 10.811000  - symbol: N  # 17    coordinates: [  0.025659850000000,  0.101073900000000,  0.164635210000000 ]    mass: 14.006700  - symbol: N  # 18    coordinates: [  0.974340150000000,  0.601073900000000,  0.335364790000000 ]    mass: 14.006700  - symbol: N  # 19    coordinates: [  0.974340150000000,  0.898926100000000,  0.835364790000000 ]    mass: 14.006700  - symbol: N  # 20    coordinates: [  0.025659850000000,  0.398926100000000,  0.664635210000000 ]    mass: 14.006700  - symbol: N  # 21    coordinates: [  0.213736000000000,  0.857762490000000,  0.292515540000000 ]    mass: 14.006700  - symbol: N  # 22    coordinates: [  0.786264000000000,  0.357762490000000,  0.207484460000000 ]    mass: 14.006700  - symbol: N  # 23    coordinates: [  0.786264000000000,  0.142237510000000,  0.707484460000000 ]    mass: 14.006700  - symbol: N  # 24    coordinates: [  0.213736000000000,  0.642237510000000,  0.792515540000000 ]    mass: 14.006700  - symbol: N  # 25    coordinates: [  0.214089070000000,  0.860478310000000,  0.952676710000000 ]    mass: 14.006700  - symbol: N  # 26    coordinates: [  0.785910930000000,  0.360478310000000,  0.547323290000000 ]    mass: 14.006700  - symbol: N  # 27    coordinates: [  0.785910930000000,  0.139521690000000,  0.047323290000000 ]    mass: 14.006700  - symbol: N  # 28    coordinates: [  0.214089070000000,  0.639521690000000,  0.452676710000000 ]    mass: 14.006700  - symbol: N  # 29    coordinates: [  0.443098210000000,  0.763024700000000,  0.621469230000000 ]    mass: 14.006700  - symbol: N  # 30    coordinates: [  0.556901790000000,  0.263024700000000,  0.878530770000000 ]    mass: 14.006700  - symbol: N  # 31    coordinates: [  0.556901790000000,  0.236975300000000,  0.378530770000000 ]    mass: 14.006700  - symbol: N  # 32    coordinates: [  0.443098210000000,  0.736975300000000,  0.121469230000000 ]    mass: 14.006700  - symbol: N  # 33    coordinates: [  0.026833720000000,  0.108758410000000,  0.586987050000000 ]    mass: 14.006700  - symbol: N  # 34    coordinates: [  0.973166280000000,  0.608758410000000,  0.913012950000000 ]    mass: 14.006700  - symbol: N  # 35    coordinates: [  0.973166280000000,  0.891241590000000,  0.413012950000000 ]    mass: 14.006700  - symbol: N  # 36    coordinates: [  0.026833720000000,  0.391241590000000,  0.086987050000000 ]    mass: 14.006700  - symbol: N  # 37    coordinates: [  0.337677720000000,  0.160996350000000,  0.878490830000000 ]    mass: 14.006700  - symbol: N  # 38    coordinates: [  0.662322280000000,  0.660996350000000,  0.621509170000000 ]    mass: 14.006700  - symbol: N  # 39    coordinates: [  0.662322280000000,  0.839003650000000,  0.121509170000000 ]    mass: 14.006700  - symbol: N  # 40    coordinates: [  0.337677720000000,  0.339003650000000,  0.378490830000000 ]    mass: 14.006700  - symbol: N  # 41    coordinates: [  0.657276320000000,  0.021386330000000,  0.368716180000000 ]    mass: 14.006700  - symbol: N  # 42    coordinates: [  0.342723680000000,  0.521386330000000,  0.131283820000000 ]    mass: 14.006700  - symbol: N  # 43    coordinates: [  0.342723680000000,  0.978613670000000,  0.631283820000000 ]    mass: 14.006700  - symbol: N  # 44    coordinates: [  0.657276320000000,  0.478613670000000,  0.868716180000000 ]    mass: 14.006700  - symbol: N  # 45    coordinates: [  0.315546630000000,  0.166794210000000,  0.372871630000000 ]    mass: 14.006700  - symbol: N  # 46    coordinates: [  0.684453370000000,  0.666794210000000,  0.127128370000000 ]    mass: 14.006700  - symbol: N  # 47    coordinates: [  0.684453370000000,  0.833205790000000,  0.627128370000000 ]    mass: 14.006700  - symbol: N  # 48    coordinates: [  0.315546630000000,  0.333205790000000,  0.872871630000000 ]    mass: 14.006700  - symbol: N  # 49    coordinates: [  0.636836790000000,  0.028629770000000,  0.875836410000000 ]    mass: 14.006700  - symbol: N  # 50    coordinates: [  0.363163210000000,  0.528629770000000,  0.624163590000000 ]    mass: 14.006700  - symbol: N  # 51    coordinates: [  0.363163210000000,  0.971370230000000,  0.124163590000000 ]    mass: 14.006700  - symbol: N  # 52    coordinates: [  0.636836790000000,  0.471370230000000,  0.375836410000000 ]    mass: 14.006700  - symbol: N  # 53    coordinates: [  0.007818280000000,  0.186721670000000,  0.878884320000000 ]    mass: 14.006700  - symbol: N  # 54    coordinates: [  0.992181720000000,  0.686721670000000,  0.621115680000000 ]    mass: 14.006700  - symbol: N  # 55    coordinates: [  0.992181720000000,  0.813278330000000,  0.121115680000000 ]    mass: 14.006700  - symbol: N  # 56    coordinates: [  0.007818280000000,  0.313278330000000,  0.378884320000000 ]    mass: 14.006700  - symbol: La # 57    coordinates: [  0.199066260000000,  0.807506750000000,  0.621942560000000 ]    mass: 138.905470  - symbol: La # 58    coordinates: [  0.800933740000000,  0.307506750000000,  0.878057440000000 ]    mass: 138.905470  - symbol: La # 59    coordinates: [  0.800933740000000,  0.192493250000000,  0.378057440000000 ]    mass: 138.905470  - symbol: La # 60    coordinates: [  0.199066260000000,  0.692493250000000,  0.121942560000000 ]    mass: 138.905470  - symbol: La # 61    coordinates: [  0.488652870000000,  0.887493910000000,  0.870145150000000 ]    mass: 138.905470  - symbol: La # 62    coordinates: [  0.511347130000000,  0.387493910000000,  0.629854850000000 ]    mass: 138.905470  - symbol: La # 63    coordinates: [  0.511347130000000,  0.112506090000000,  0.129854850000000 ]    mass: 138.905470  - symbol: La # 64    coordinates: [  0.488652870000000,  0.612506090000000,  0.370145150000000 ]    mass: 138.905470  - symbol: La # 65    coordinates: [  0.181078680000000,  0.033735660000000,  0.862895280000000 ]    mass: 138.905470  - symbol: La # 66    coordinates: [  0.818921320000000,  0.533735660000000,  0.637104720000000 ]    mass: 138.905470  - symbol: La # 67    coordinates: [  0.818921320000000,  0.966264340000000,  0.137104720000000 ]    mass: 138.905470  - symbol: La # 68    coordinates: [  0.181078680000000,  0.466264340000000,  0.362895280000000 ]    mass: 138.905470  - symbol: La # 69    coordinates: [  0.495108060000000,  0.889402410000000,  0.376619440000000 ]    mass: 138.905470  - symbol: La # 70    coordinates: [  0.504891940000000,  0.389402410000000,  0.123380560000000 ]    mass: 138.905470  - symbol: La # 71    coordinates: [  0.504891940000000,  0.110597590000000,  0.623380560000000 ]    mass: 138.905470  - symbol: La # 72    coordinates: [  0.495108060000000,  0.610597590000000,  0.876619440000000 ]    mass: 138.905470  - symbol: La # 73    coordinates: [  0.173932730000000,  0.247196180000000,  0.124143200000000 ]    mass: 138.905470  - symbol: La # 74    coordinates: [  0.826067270000000,  0.747196180000000,  0.375856800000000 ]    mass: 138.905470  - symbol: La # 75    coordinates: [  0.826067270000000,  0.752803820000000,  0.875856800000000 ]    mass: 138.905470  - symbol: La # 76    coordinates: [  0.173932730000000,  0.252803820000000,  0.624143200000000 ]    mass: 138.905470  - symbol: La # 77    coordinates: [  0.175360430000000,  0.029141860000000,  0.382614100000000 ]    mass: 138.905470  - symbol: La # 78    coordinates: [  0.824639570000000,  0.529141860000000,  0.117385900000000 ]    mass: 138.905470  - symbol: La # 79    coordinates: [  0.824639570000000,  0.970858140000000,  0.617385900000000 ]    mass: 138.905470  - symbol: La # 80    coordinates: [  0.175360430000000,  0.470858140000000,  0.882614100000000 ]    mass: 138.905470  reciprocal_lattice: # without 2pi  - [     0.104182953000411,     0.000000000000000,    -0.000035070100647 ] # a*  - [     0.000000000000000,     0.068289002582642,     0.000000000000000 ] # b*  - [    -0.000046751604237,     0.000000000000000,     0.132056152299380 ] # c*unit_cell:  lattice:  - [     9.598500430000000,     0.000000000000000,     0.003398140000000 ] # a  - [     0.000000000000000,    14.643646300000000,     0.000000000000000 ] # b  - [     0.002549070000000,     0.000000000000000,     7.572537150000000 ] # c  points:  - symbol: B  # 1    coordinates: [  0.939909780000000,  0.143008870000000,  0.034972350000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 2    coordinates: [  0.060090220000000,  0.643008870000000,  0.465027650000000 ]    mass: 10.811000    reduced_to: 2  - symbol: B  # 3    coordinates: [  0.060090220000000,  0.856991130000000,  0.965027650000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 4    coordinates: [  0.939909780000000,  0.356991130000000,  0.534972350000000 ]    mass: 10.811000    reduced_to: 4  - symbol: B  # 5    coordinates: [  0.271653080000000,  0.893049050000000,  0.123863450000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 6    coordinates: [  0.728346920000000,  0.393049050000000,  0.376136550000000 ]    mass: 10.811000    reduced_to: 6  - symbol: B  # 7    coordinates: [  0.728346920000000,  0.106950950000000,  0.876136550000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 8    coordinates: [  0.271653080000000,  0.606950950000000,  0.623863450000000 ]    mass: 10.811000    reduced_to: 8  - symbol: B  # 9    coordinates: [  0.940273960000000,  0.353151200000000,  0.220061490000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 10    coordinates: [  0.059726040000000,  0.853151200000000,  0.279938510000000 ]    mass: 10.811000    reduced_to: 10  - symbol: B  # 11    coordinates: [  0.059726040000000,  0.646848800000000,  0.779938510000000 ]    mass: 10.811000    reduced_to: 11  - symbol: B  # 12    coordinates: [  0.940273960000000,  0.146848800000000,  0.720061490000000 ]    mass: 10.811000    reduced_to: 12  - symbol: B  # 13    coordinates: [  0.594003670000000,  0.751399330000000,  0.623626600000000 ]    mass: 10.811000    reduced_to: 13  - symbol: B  # 14    coordinates: [  0.405996330000000,  0.251399330000000,  0.876373400000000 ]    mass: 10.811000    reduced_to: 14  - symbol: B  # 15    coordinates: [  0.405996330000000,  0.248600670000000,  0.376373400000000 ]    mass: 10.811000    reduced_to: 15  - symbol: B  # 16    coordinates: [  0.594003670000000,  0.748600670000000,  0.123626600000000 ]    mass: 10.811000    reduced_to: 16  - symbol: N  # 17    coordinates: [  0.025659850000000,  0.101073900000000,  0.164635210000000 ]    mass: 14.006700    reduced_to: 17  - symbol: N  # 18    coordinates: [  0.974340150000000,  0.601073900000000,  0.335364790000000 ]    mass: 14.006700    reduced_to: 18  - symbol: N  # 19    coordinates: [  0.974340150000000,  0.898926100000000,  0.835364790000000 ]    mass: 14.006700    reduced_to: 19  - symbol: N  # 20    coordinates: [  0.025659850000000,  0.398926100000000,  0.664635210000000 ]    mass: 14.006700    reduced_to: 20  - symbol: N  # 21    coordinates: [  0.213736000000000,  0.857762490000000,  0.292515540000000 ]    mass: 14.006700    reduced_to: 21  - symbol: N  # 22    coordinates: [  0.786264000000000,  0.357762490000000,  0.207484460000000 ]    mass: 14.006700    reduced_to: 22  - symbol: N  # 23    coordinates: [  0.786264000000000,  0.142237510000000,  0.707484460000000 ]    mass: 14.006700    reduced_to: 23  - symbol: N  # 24    coordinates: [  0.213736000000000,  0.642237510000000,  0.792515540000000 ]    mass: 14.006700    reduced_to: 24  - symbol: N  # 25    coordinates: [  0.214089070000000,  0.860478310000000,  0.952676710000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 26    coordinates: [  0.785910930000000,  0.360478310000000,  0.547323290000000 ]    mass: 14.006700    reduced_to: 26  - symbol: N  # 27    coordinates: [  0.785910930000000,  0.139521690000000,  0.047323290000000 ]    mass: 14.006700    reduced_to: 27  - symbol: N  # 28    coordinates: [  0.214089070000000,  0.639521690000000,  0.452676710000000 ]    mass: 14.006700    reduced_to: 28  - symbol: N  # 29    coordinates: [  0.443098210000000,  0.763024700000000,  0.621469230000000 ]    mass: 14.006700    reduced_to: 29  - symbol: N  # 30    coordinates: [  0.556901790000000,  0.263024700000000,  0.878530770000000 ]    mass: 14.006700    reduced_to: 30  - symbol: N  # 31    coordinates: [  0.556901790000000,  0.236975300000000,  0.378530770000000 ]    mass: 14.006700    reduced_to: 31  - symbol: N  # 32    coordinates: [  0.443098210000000,  0.736975300000000,  0.121469230000000 ]    mass: 14.006700    reduced_to: 32  - symbol: N  # 33    coordinates: [  0.026833720000000,  0.108758410000000,  0.586987050000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 34    coordinates: [  0.973166280000000,  0.608758410000000,  0.913012950000000 ]    mass: 14.006700    reduced_to: 34  - symbol: N  # 35    coordinates: [  0.973166280000000,  0.891241590000000,  0.413012950000000 ]    mass: 14.006700    reduced_to: 35  - symbol: N  # 36    coordinates: [  0.026833720000000,  0.391241590000000,  0.086987050000000 ]    mass: 14.006700    reduced_to: 36  - symbol: N  # 37    coordinates: [  0.337677720000000,  0.160996350000000,  0.878490830000000 ]    mass: 14.006700    reduced_to: 37  - symbol: N  # 38    coordinates: [  0.662322280000000,  0.660996350000000,  0.621509170000000 ]    mass: 14.006700    reduced_to: 38  - symbol: N  # 39    coordinates: [  0.662322280000000,  0.839003650000000,  0.121509170000000 ]    mass: 14.006700    reduced_to: 39  - symbol: N  # 40    coordinates: [  0.337677720000000,  0.339003650000000,  0.378490830000000 ]    mass: 14.006700    reduced_to: 40  - symbol: N  # 41    coordinates: [  0.657276320000000,  0.021386330000000,  0.368716180000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 42    coordinates: [  0.342723680000000,  0.521386330000000,  0.131283820000000 ]    mass: 14.006700    reduced_to: 42  - symbol: N  # 43    coordinates: [  0.342723680000000,  0.978613670000000,  0.631283820000000 ]    mass: 14.006700    reduced_to: 43  - symbol: N  # 44    coordinates: [  0.657276320000000,  0.478613670000000,  0.868716180000000 ]    mass: 14.006700    reduced_to: 44  - symbol: N  # 45    coordinates: [  0.315546630000000,  0.166794210000000,  0.372871630000000 ]    mass: 14.006700    reduced_to: 45  - symbol: N  # 46    coordinates: [  0.684453370000000,  0.666794210000000,  0.127128370000000 ]    mass: 14.006700    reduced_to: 46  - symbol: N  # 47    coordinates: [  0.684453370000000,  0.833205790000000,  0.627128370000000 ]    mass: 14.006700    reduced_to: 47  - symbol: N  # 48    coordinates: [  0.315546630000000,  0.333205790000000,  0.872871630000000 ]    mass: 14.006700    reduced_to: 48  - symbol: N  # 49    coordinates: [  0.636836790000000,  0.028629770000000,  0.875836410000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 50    coordinates: [  0.363163210000000,  0.528629770000000,  0.624163590000000 ]    mass: 14.006700    reduced_to: 50  - symbol: N  # 51    coordinates: [  0.363163210000000,  0.971370230000000,  0.124163590000000 ]    mass: 14.006700    reduced_to: 51  - symbol: N  # 52    coordinates: [  0.636836790000000,  0.471370230000000,  0.375836410000000 ]    mass: 14.006700    reduced_to: 52  - symbol: N  # 53    coordinates: [  0.007818280000000,  0.186721670000000,  0.878884320000000 ]    mass: 14.006700    reduced_to: 53  - symbol: N  # 54    coordinates: [  0.992181720000000,  0.686721670000000,  0.621115680000000 ]    mass: 14.006700    reduced_to: 54  - symbol: N  # 55    coordinates: [  0.992181720000000,  0.813278330000000,  0.121115680000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 56    coordinates: [  0.007818280000000,  0.313278330000000,  0.378884320000000 ]    mass: 14.006700    reduced_to: 56  - 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