# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5ce4199a-5361-458a-920b-8440610698f5/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 La2GaN3 / C2/c (15) / materials id 568036](https://mdr.nims.go.jp/datasets/2f277689-e1bb-433a-bdd4-fec374464c55)

## 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:  - [     2.821759100000000,    -5.429128145000000,    -0.005080555000000 ] # a  - [     2.821759100000000,     5.429128145000000,    -0.005080555000000 ] # b  - [    -0.752970560000000,     0.000000000000000,    11.876420610000000 ] # c  points:  - symbol: La # 1    coordinates: [  0.444380530000000,  0.030559590000000,  0.348448950000000 ]    mass: 138.905470  - symbol: La # 2    coordinates: [  0.969440410000000,  0.555619470000000,  0.151551050000000 ]    mass: 138.905470  - symbol: La # 3    coordinates: [  0.134021020000000,  0.344753860000000,  0.425349170000000 ]    mass: 138.905470  - symbol: La # 4    coordinates: [  0.655246140000000,  0.865978980000000,  0.074650830000000 ]    mass: 138.905470  - symbol: La # 5    coordinates: [  0.555619470000000,  0.969440410000000,  0.651551050000000 ]    mass: 138.905470  - symbol: La # 6    coordinates: [  0.344753860000000,  0.134021020000000,  0.925349170000000 ]    mass: 138.905470  - symbol: La # 7    coordinates: [  0.030559590000000,  0.444380530000000,  0.848448950000000 ]    mass: 138.905470  - symbol: La # 8    coordinates: [  0.865978980000000,  0.655246140000000,  0.574650830000000 ]    mass: 138.905470  - symbol: Ga # 9    coordinates: [  0.271680870000000,  0.268697570000000,  0.162256260000000 ]    mass: 69.723000  - symbol: Ga # 10    coordinates: [  0.731302430000000,  0.728319130000000,  0.337743740000000 ]    mass: 69.723000  - symbol: Ga # 11    coordinates: [  0.268697570000000,  0.271680870000000,  0.662256260000000 ]    mass: 69.723000  - symbol: Ga # 12    coordinates: [  0.728319130000000,  0.731302430000000,  0.837743740000000 ]    mass: 69.723000  - symbol: N  # 13    coordinates: [  0.682148830000000,  0.883717130000000,  0.472846730000000 ]    mass: 14.006700  - symbol: N  # 14    coordinates: [  0.990690990000000,  0.009309010000000,  0.750000000000000 ]    mass: 14.006700  - symbol: N  # 15    coordinates: [  0.009309010000000,  0.990690990000000,  0.250000000000000 ]    mass: 14.006700  - symbol: N  # 16    coordinates: [  0.397941090000000,  0.602058910000000,  0.250000000000000 ]    mass: 14.006700  - symbol: N  # 17    coordinates: [  0.602058910000000,  0.397941090000000,  0.750000000000000 ]    mass: 14.006700  - symbol: N  # 18    coordinates: [  0.116282870000000,  0.317851170000000,  0.027153270000000 ]    mass: 14.006700  - symbol: N  # 19    coordinates: [  0.317851170000000,  0.116282870000000,  0.527153270000000 ]    mass: 14.006700  - symbol: N  # 20    coordinates: [  0.495949350000000,  0.852834810000000,  0.870476440000000 ]    mass: 14.006700  - symbol: N  # 21    coordinates: [  0.852834810000000,  0.495949350000000,  0.370476440000000 ]    mass: 14.006700  - symbol: N  # 22    coordinates: [  0.504050650000000,  0.147165190000000,  0.129523560000000 ]    mass: 14.006700  - symbol: N  # 23    coordinates: [  0.883717130000000,  0.682148830000000,  0.972846730000000 ]    mass: 14.006700  - symbol: N  # 24    coordinates: [  0.147165190000000,  0.504050650000000,  0.629523560000000 ]    mass: 14.006700  reciprocal_lattice: # without 2pi  - [     0.177214661071677,    -0.092095818453001,     0.011235491480909 ] # a*  - [     0.177214661071677,     0.092095818453001,     0.011235491480909 ] # b*  - [     0.000151619559789,     0.000000000000000,     0.084210066139182 ] # c*unit_cell:  lattice:  - [     5.643518200000000,     0.000000000000000,    -0.010161110000000 ] # a  - [     0.000000000000000,    10.858256290000000,     0.000000000000000 ] # b  - [    -0.752970560000000,     0.000000000000000,    11.876420610000000 ] # c  points:  - symbol: La # 1    coordinates: [  0.737470060000000,  0.293089530000000,  0.348448950000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 2    coordinates: [  0.262529940000000,  0.293089530000000,  0.151551050000000 ]    mass: 138.905470    reduced_to: 2  - symbol: La # 3    coordinates: [  0.239387440000000,  0.105366420000000,  0.425349170000000 ]    mass: 138.905470    reduced_to: 3  - symbol: La # 4    coordinates: [  0.760612560000000,  0.105366420000000,  0.074650830000000 ]    mass: 138.905470    reduced_to: 4  - symbol: La # 5    coordinates: [  0.762529940000000,  0.206910470000000,  0.651551050000000 ]    mass: 138.905470    reduced_to: 5  - symbol: La # 6    coordinates: [  0.739387440000000,  0.394633580000000,  0.925349170000000 ]    mass: 138.905470    reduced_to: 6  - symbol: La # 7    coordinates: [  0.237470060000000,  0.206910470000000,  0.848448950000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 8    coordinates: [  0.260612560000000,  0.394633580000000,  0.574650830000000 ]    mass: 138.905470    reduced_to: 8  - symbol: La # 9    coordinates: [  0.237470060000000,  0.793089530000000,  0.348448950000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 10    coordinates: [  0.762529940000000,  0.793089530000000,  0.151551050000000 ]    mass: 138.905470    reduced_to: 2  - symbol: La # 11    coordinates: [  0.739387440000000,  0.605366420000000,  0.425349170000000 ]    mass: 138.905470    reduced_to: 3  - symbol: La # 12    coordinates: [  0.260612560000000,  0.605366420000000,  0.074650830000000 ]    mass: 138.905470    reduced_to: 4  - symbol: La # 13    coordinates: [  0.262529940000000,  0.706910470000000,  0.651551050000000 ]    mass: 138.905470    reduced_to: 5  - symbol: La # 14    coordinates: [  0.239387440000000,  0.894633580000000,  0.925349170000000 ]    mass: 138.905470    reduced_to: 6  - symbol: La # 15    coordinates: [  0.737470060000000,  0.706910470000000,  0.848448950000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 16    coordinates: [  0.760612560000000,  0.894633580000000,  0.574650830000000 ]    mass: 138.905470    reduced_to: 8  - symbol: Ga # 17    coordinates: [  0.770189220000000,  0.498508350000000,  0.162256260000000 ]    mass: 69.723000    reduced_to: 17  - symbol: Ga # 18    coordinates: [  0.229810780000000,  0.498508350000000,  0.337743740000000 ]    mass: 69.723000    reduced_to: 18  - symbol: Ga # 19    coordinates: [  0.270189220000000,  0.001491650000000,  0.662256260000000 ]    mass: 69.723000    reduced_to: 19  - symbol: Ga # 20    coordinates: [  0.729810780000000,  0.001491650000000,  0.837743740000000 ]    mass: 69.723000    reduced_to: 20  - symbol: Ga # 21    coordinates: [  0.270189220000000,  0.998508350000000,  0.162256260000000 ]    mass: 69.723000    reduced_to: 17  - symbol: Ga # 22    coordinates: [  0.729810780000000,  0.998508350000000,  0.337743740000000 ]    mass: 69.723000    reduced_to: 18  - symbol: Ga # 23    coordinates: [  0.770189220000000,  0.501491650000000,  0.662256260000000 ]    mass: 69.723000    reduced_to: 19  - symbol: Ga # 24    coordinates: [  0.229810780000000,  0.501491650000000,  0.837743740000000 ]    mass: 69.723000    reduced_to: 20  - symbol: N  # 25    coordinates: [  0.782932980000000,  0.100784150000000,  0.472846730000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 26    coordinates: [  0.000000000000000,  0.009309010000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 26  - symbol: N  # 27    coordinates: [  0.500000000000000,  0.490690990000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 27  - symbol: N  # 28    coordinates: [  0.500000000000000,  0.102058910000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 28  - symbol: N  # 29    coordinates: [  0.000000000000000,  0.397941090000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 29  - symbol: N  # 30    coordinates: [  0.217067020000000,  0.100784150000000,  0.027153270000000 ]    mass: 14.006700    reduced_to: 30  - symbol: N  # 31    coordinates: [  0.717067020000000,  0.399215850000000,  0.527153270000000 ]    mass: 14.006700    reduced_to: 31  - symbol: N  # 32    coordinates: [  0.674392080000000,  0.178442730000000,  0.870476440000000 ]    mass: 14.006700    reduced_to: 32  - symbol: N  # 33    coordinates: [  0.174392080000000,  0.321557270000000,  0.370476440000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 34    coordinates: [  0.825607920000000,  0.321557270000000,  0.129523560000000 ]    mass: 14.006700    reduced_to: 34  - symbol: N  # 35    coordinates: [  0.282932980000000,  0.399215850000000,  0.972846730000000 ]    mass: 14.006700    reduced_to: 35  - symbol: N  # 36    coordinates: [  0.325607920000000,  0.178442730000000,  0.629523560000000 ]    mass: 14.006700    reduced_to: 36  - symbol: N  # 37    coordinates: [  0.282932980000000,  0.600784150000000,  0.472846730000000 ]    mass: 14.006700    reduced_to: 25  - symbol: N  # 38    coordinates: [  0.500000000000000,  0.509309010000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 26  - symbol: N  # 39    coordinates: [  0.000000000000000,  0.990690990000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 27  - symbol: N  # 40    coordinates: [  0.000000000000000,  0.602058910000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 28  - symbol: N  # 41    coordinates: [  0.500000000000000,  0.897941090000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 29  - symbol: N  # 42    coordinates: [  0.717067020000000,  0.600784150000000,  0.027153270000000 ]    mass: 14.006700    reduced_to: 30  - symbol: N  # 43    coordinates: [  0.217067020000000,  0.899215850000000,  0.527153270000000 ]    mass: 14.006700    reduced_to: 31  - symbol: N  # 44    coordinates: [  0.174392080000000,  0.678442730000000,  0.870476440000000 ]    mass: 14.006700    reduced_to: 32  - symbol: N  # 45    coordinates: [  0.674392080000000,  0.821557270000000,  0.370476440000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 46    coordinates: [  0.325607920000000,  0.821557270000000,  0.129523560000000 ]    mass: 14.006700    reduced_to: 34  - symbol: N  # 47    coordinates: [  0.782932980000000,  0.899215850000000,  0.972846730000000 ]    mass: 14.006700    reduced_to: 35  - symbol: N  # 48    coordinates: [  0.825607920000000,  0.678442730000000,  0.629523560000000 ]    mass: 14.006700    reduced_to: 36supercell:  lattice:  - [    11.287036400000000,     0.000000000000000,    -0.020322220000000 ] # a  - [     0.000000000000000,    10.858256290000000,     0.000000000000000 ] # b  - [    -0.752970560000000,     0.000000000000000,    11.876420610000000 ] # c  points:  - symbol: La # 1    coordinates: [  0.368735030000000,  0.293089530000000,  0.348448950000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 2    coordinates: [  0.868735030000000,  0.293089530000000,  0.348448950000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 3    coordinates: [  0.131264970000000,  0.293089530000000,  0.151551050000000 ]    mass: 138.905470    reduced_to: 3  - symbol: La # 4    coordinates: [  0.631264970000000,  0.293089530000000,  0.151551050000000 ]    mass: 138.905470    reduced_to: 3  - symbol: La # 5    coordinates: [  0.119693720000000,  0.105366420000000,  0.425349170000000 ]    mass: 138.905470    reduced_to: 5  - symbol: La # 6    coordinates: [  0.619693720000000,  0.105366420000000,  0.425349170000000 ]    mass: 138.905470    reduced_to: 5  - symbol: La # 7    coordinates: [  0.380306280000000,  0.105366420000000,  0.074650830000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 8    coordinates: [  0.880306280000000,  0.105366420000000,  0.074650830000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 9    coordinates: [  0.381264970000000,  0.206910470000000,  0.651551050000000 ]    mass: 138.905470    reduced_to: 9  - symbol: La # 10    coordinates: [  0.881264970000000,  0.206910470000000,  0.651551050000000 ]    mass: 138.905470    reduced_to: 9  - symbol: La # 11    coordinates: [  0.369693720000000,  0.394633580000000,  0.925349170000000 ]    mass: 138.905470    reduced_to: 11  - symbol: La # 12    coordinates: [  0.869693720000000,  0.394633580000000,  0.925349170000000 ]    mass: 138.905470    reduced_to: 11  - symbol: La # 13    coordinates: [  0.118735030000000,  0.206910470000000,  0.848448950000000 ]    mass: 138.905470    reduced_to: 13  - symbol: La # 14    coordinates: [  0.618735030000000,  0.206910470000000,  0.848448950000000 ]    mass: 138.905470    reduced_to: 13  - symbol: La # 15    coordinates: [  0.130306280000000,  0.394633580000000,  0.574650830000000 ]    mass: 138.905470    reduced_to: 15  - symbol: La # 16    coordinates: [  0.630306280000000,  0.394633580000000,  0.574650830000000 ]    mass: 138.905470    reduced_to: 15  - symbol: La # 17    coordinates: [  0.118735030000000,  0.793089530000000,  0.348448950000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 18    coordinates: [  0.618735030000000,  0.793089530000000,  0.348448950000000 ]    mass: 138.905470    reduced_to: 1  - symbol: La # 19    coordinates: [  0.381264970000000,  0.793089530000000,  0.151551050000000 ]    mass: 138.905470    reduced_to: 3  - symbol: La # 20    coordinates: [  0.881264970000000,  0.793089530000000,  0.151551050000000 ]    mass: 138.905470    reduced_to: 3  - symbol: La # 21    coordinates: [  0.369693720000000,  0.605366420000000,  0.425349170000000 ]    mass: 138.905470    reduced_to: 5  - symbol: La # 22    coordinates: [  0.869693720000000,  0.605366420000000,  0.425349170000000 ]    mass: 138.905470    reduced_to: 5  - symbol: La # 23    coordinates: [  0.130306280000000,  0.605366420000000,  0.074650830000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 24    coordinates: [  0.630306280000000,  0.605366420000000,  0.074650830000000 ]    mass: 138.905470    reduced_to: 7  - symbol: La # 25    coordinates: [  0.131264970000000,  0.706910470000000,  0.651551050000000 ]    mass: 138.905470    reduced_to: 9  - symbol: La # 26    coordinates: [  0.631264970000000,  0.706910470000000,  0.651551050000000 ]    mass: 138.905470    reduced_to: 9  - symbol: La # 27    coordinates: [  0.119693720000000,  0.894633580000000,  0.925349170000000 ]    mass: 138.905470    reduced_to: 11  - symbol: La # 28    coordinates: [  0.619693720000000,  0.894633580000000,  0.925349170000000 ]    mass: 138.905470    reduced_to: 11  - symbol: La # 29    coordinates: [  0.368735030000000,  0.706910470000000,  0.848448950000000 ]    mass: 138.905470    reduced_to: 13  - symbol: La # 30    coordinates: [  0.868735030000000,  0.706910470000000,  0.848448950000000 ]    mass: 138.905470    reduced_to: 13  - symbol: La # 31    coordinates: [  0.380306280000000,  0.894633580000000,  0.574650830000000 ]    mass: 138.905470    reduced_to: 15  - symbol: La # 32    coordinates: [  0.880306280000000,  0.894633580000000,  0.574650830000000 ]    mass: 138.905470    reduced_to: 15  - symbol: Ga # 33    coordinates: [  0.385094610000000,  0.498508350000000,  0.162256260000000 ]    mass: 69.723000    reduced_to: 33  - symbol: Ga # 34    coordinates: [  0.885094610000000,  0.498508350000000,  0.162256260000000 ]    mass: 69.723000    reduced_to: 33  - symbol: Ga # 35    coordinates: [  0.114905390000000,  0.498508350000000,  0.337743740000000 ]    mass: 69.723000    reduced_to: 35  - symbol: Ga # 36    coordinates: [  0.614905390000000,  0.498508350000000,  0.337743740000000 ]    mass: 69.723000    reduced_to: 35  - symbol: Ga # 37    coordinates: [  0.135094610000000,  0.001491650000000,  0.662256260000000 ]    mass: 69.723000    reduced_to: 37  - symbol: Ga # 38    coordinates: [  0.635094610000000,  0.001491650000000,  0.662256260000000 ]    mass: 69.723000    reduced_to: 37  - symbol: Ga # 39    coordinates: [  0.364905390000000,  0.001491650000000,  0.837743740000000 ]    mass: 69.723000    reduced_to: 39  - symbol: Ga # 40    coordinates: [  0.864905390000000,  0.001491650000000,  0.837743740000000 ]    mass: 69.723000    reduced_to: 39  - symbol: Ga # 41    coordinates: [  0.135094610000000,  0.998508350000000,  0.162256260000000 ]    mass: 69.723000    reduced_to: 33  - symbol: Ga # 42    coordinates: [  0.635094610000000,  0.998508350000000,  0.162256260000000 ]    mass: 69.723000    reduced_to: 33  - symbol: Ga # 43    coordinates: [  0.364905390000000,  0.998508350000000,  0.337743740000000 ]    mass: 69.723000    reduced_to: 35  - symbol: Ga # 44    coordinates: [  0.864905390000000,  0.998508350000000,  0.337743740000000 ]    mass: 69.723000    reduced_to: 35  - symbol: Ga # 45    coordinates: [  0.385094610000000,  0.501491650000000,  0.662256260000000 ]    mass: 69.723000    reduced_to: 37  - symbol: Ga # 46    coordinates: [  0.885094610000000,  0.501491650000000,  0.662256260000000 ]    mass: 69.723000    reduced_to: 37  - symbol: Ga # 47    coordinates: [  0.114905390000000,  0.501491650000000,  0.837743740000000 ]    mass: 69.723000    reduced_to: 39  - symbol: Ga # 48    coordinates: [  0.614905390000000,  0.501491650000000,  0.837743740000000 ]    mass: 69.723000    reduced_to: 39  - symbol: N  # 49    coordinates: [  0.391466490000000,  0.100784150000000,  0.472846730000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 50    coordinates: [  0.891466490000000,  0.100784150000000,  0.472846730000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 51    coordinates: [  0.000000000000000,  0.009309010000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 51  - symbol: N  # 52    coordinates: [  0.500000000000000,  0.009309010000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 51  - symbol: N  # 53    coordinates: [  0.250000000000000,  0.490690990000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 53  - symbol: N  # 54    coordinates: [  0.750000000000000,  0.490690990000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 53  - symbol: N  # 55    coordinates: [  0.250000000000000,  0.102058910000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 56    coordinates: [  0.750000000000000,  0.102058910000000,  0.250000000000000 ]    mass: 14.006700    reduced_to: 55  - symbol: N  # 57    coordinates: [  0.000000000000000,  0.397941090000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 58    coordinates: [  0.500000000000000,  0.397941090000000,  0.750000000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 59    coordinates: [  0.108533510000000,  0.100784150000000,  0.027153270000000 ]    mass: 14.006700    reduced_to: 59  - symbol: N  # 60    coordinates: [  0.608533510000000,  0.100784150000000,  0.027153270000000 ]    mass: 14.006700    reduced_to: 59  - symbol: N  # 61    coordinates: [  0.358533510000000,  0.399215850000000,  0.527153270000000 ]    mass: 14.006700    reduced_to: 61  - symbol: N  # 62    coordinates: [  0.858533510000000,  0.399215850000000,  0.527153270000000 ]    mass: 14.006700    reduced_to: 61  - symbol: N  # 63    coordinates: [  0.337196040000000,  0.178442730000000,  0.870476440000000 ]    mass: 14.006700    reduced_to: 63  - symbol: N  # 64    coordinates: [  0.837196040000000,  0.178442730000000,  0.870476440000000 ]    mass: 14.006700    reduced_to: 63  - symbol: N  # 65    coordinates: [  0.087196040000000,  0.321557270000000,  0.370476440000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 66    coordinates: [  0.587196040000000,  0.321557270000000,  0.370476440000000 ]    mass: 14.006700    reduced_to: 65  - symbol: N  # 67    coordinates: [  0.412803960000000,  0.321557270000000,  0.129523560000000 ]    mass: 14.006700    reduced_to: 67  - symbol: N  # 68    coordinates: [  0.912803960000000,  0.321557270000000,  0.129523560000000 ]    mass: 14.006700    reduced_to: 67  - symbol: N  # 69    coordinates: [  0.141466490000000,  0.399215850000000,  0.972846730000000 ]    mass: 14.006700    reduced_to: 69  - symbol: N  # 70    coordinates: [  0.641466490000000,  0.399215850000000,  0.972846730000000 ]    mass: 14.006700    reduced_to: 69  - 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