# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7dfbdb38-52f1-4e90-80fa-0a19358c001a/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 Na5GaO4 / Pbca (61) / materials id 7656](https://mdr.nims.go.jp/datasets/f075de60-02f5-47f0-a1f7-b8755ebd0f91)

## 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: "Pbca"  number: 61  Hall_symbol: "-P 2ac 2ab"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     5.937434420000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    17.977737720000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.301474499999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.860607640000000,  0.879214740000000,  0.548121890000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.360607640000000,  0.620785260000000,  0.451878110000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.639392360000000,  0.120785260000000,  0.048121890000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.139392360000000,  0.379214740000000,  0.951878110000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.139392360000000,  0.120785260000000,  0.451878110000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.639392360000000,  0.379214740000000,  0.548121890000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.360607640000000,  0.879214740000000,  0.951878110000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.860607640000000,  0.620785260000000,  0.048121890000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.803787950000000,  0.954301190000000,  0.869025340000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.303787950000000,  0.545698810000000,  0.130974660000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.696212050000000,  0.045698810000000,  0.369025340000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.196212050000000,  0.454301190000000,  0.630974660000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.196212050000000,  0.045698810000000,  0.130974660000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.696212050000000,  0.454301190000000,  0.869025340000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.303787950000000,  0.954301190000000,  0.630974660000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.803787950000000,  0.545698810000000,  0.369025340000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.735523040000000,  0.288258600000000,  0.874281000000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.235523040000000,  0.211741400000000,  0.125719000000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.764476960000000,  0.711741400000000,  0.374281000000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.264476960000000,  0.788258600000000,  0.625719000000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.264476960000000,  0.711741400000000,  0.125719000000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.764476960000000,  0.788258600000000,  0.874281000000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.235523040000000,  0.288258600000000,  0.625719000000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.735523040000000,  0.211741400000000,  0.374281000000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.738533560000000,  0.125318890000000,  0.635229300000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.238533560000000,  0.374681110000000,  0.364770700000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.761466440000000,  0.874681110000000,  0.135229300000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.261466440000000,  0.625318890000000,  0.864770700000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.261466440000000,  0.874681110000000,  0.364770700000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.761466440000000,  0.625318890000000,  0.635229300000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.238533560000000,  0.125318890000000,  0.864770700000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.738533560000000,  0.374681110000000,  0.135229300000000 ]    mass: 15.999400  - symbol: Na # 33    coordinates: [  0.924633620000000,  0.359856880000000,  0.699814370000000 ]    mass: 22.989769  - symbol: Na # 34    coordinates: [  0.424633620000000,  0.140143120000000,  0.300185630000000 ]    mass: 22.989769  - symbol: Na # 35    coordinates: [  0.575366380000000,  0.640143120000000,  0.199814370000000 ]    mass: 22.989769  - symbol: Na # 36    coordinates: [  0.075366380000000,  0.859856880000000,  0.800185630000000 ]    mass: 22.989769  - symbol: Na # 37    coordinates: [  0.075366380000000,  0.640143120000000,  0.300185630000000 ]    mass: 22.989769  - symbol: Na # 38    coordinates: [  0.575366380000000,  0.859856880000000,  0.699814370000000 ]    mass: 22.989769  - symbol: Na # 39    coordinates: [  0.424633620000000,  0.359856880000000,  0.800185630000000 ]    mass: 22.989769  - symbol: Na # 40    coordinates: [  0.924633620000000,  0.140143120000000,  0.199814370000000 ]    mass: 22.989769  - symbol: Na # 41    coordinates: [  0.910209430000000,  0.997697530000000,  0.662392440000000 ]    mass: 22.989769  - symbol: Na # 42    coordinates: [  0.410209430000000,  0.502302470000000,  0.337607560000000 ]    mass: 22.989769  - symbol: Na # 43    coordinates: [  0.589790570000000,  0.002302470000000,  0.162392440000000 ]    mass: 22.989769  - symbol: Na # 44    coordinates: [  0.089790570000000,  0.497697530000000,  0.837607560000000 ]    mass: 22.989769  - symbol: Na # 45    coordinates: [  0.089790570000000,  0.002302470000000,  0.337607560000000 ]    mass: 22.989769  - symbol: Na # 46    coordinates: [  0.589790570000000,  0.497697530000000,  0.662392440000000 ]    mass: 22.989769  - symbol: Na # 47    coordinates: [  0.410209430000000,  0.997697530000000,  0.837607560000000 ]    mass: 22.989769  - symbol: Na # 48    coordinates: [  0.910209430000000,  0.502302470000000,  0.162392440000000 ]    mass: 22.989769  - symbol: Na # 49    coordinates: [  0.895619780000000,  0.748436090000000,  0.580193110000000 ]    mass: 22.989769  - symbol: Na # 50    coordinates: [  0.395619780000000,  0.751563910000000,  0.419806890000000 ]    mass: 22.989769  - symbol: Na # 51    coordinates: [  0.604380220000000,  0.251563910000000,  0.080193110000000 ]    mass: 22.989769  - symbol: Na # 52    coordinates: [  0.104380220000000,  0.248436090000000,  0.919806890000000 ]    mass: 22.989769  - symbol: Na # 53    coordinates: [  0.104380220000000,  0.251563910000000,  0.419806890000000 ]    mass: 22.989769  - symbol: Na # 54    coordinates: [  0.604380220000000,  0.248436090000000,  0.580193110000000 ]    mass: 22.989769  - symbol: Na # 55    coordinates: [  0.395619780000000,  0.748436090000000,  0.919806890000000 ]    mass: 22.989769  - symbol: Na # 56    coordinates: [  0.895619780000000,  0.751563910000000,  0.080193110000000 ]    mass: 22.989769  - symbol: Na # 57    coordinates: [  0.918836670000000,  0.064882590000000,  0.939978300000000 ]    mass: 22.989769  - symbol: Na # 58    coordinates: [  0.418836670000000,  0.435117410000000,  0.060021700000000 ]    mass: 22.989769  - symbol: Na # 59    coordinates: [  0.581163330000000,  0.935117410000000,  0.439978300000000 ]    mass: 22.989769  - symbol: Na # 60    coordinates: [  0.081163330000000,  0.564882590000000,  0.560021700000000 ]    mass: 22.989769  - symbol: Na # 61    coordinates: [  0.081163330000000,  0.935117410000000,  0.060021700000000 ]    mass: 22.989769  - symbol: Na # 62    coordinates: [  0.581163330000000,  0.564882590000000,  0.939978300000000 ]    mass: 22.989769  - symbol: Na # 63    coordinates: [  0.418836670000000,  0.064882590000000,  0.560021700000000 ]    mass: 22.989769  - symbol: Na # 64    coordinates: [  0.918836670000000,  0.435117410000000,  0.439978300000000 ]    mass: 22.989769  - symbol: Na # 65    coordinates: [  0.893090670000000,  0.671474250000000,  0.827475660000000 ]    mass: 22.989769  - symbol: Na # 66    coordinates: [  0.393090670000000,  0.828525750000000,  0.172524340000000 ]    mass: 22.989769  - symbol: Na # 67    coordinates: [  0.606909330000000,  0.328525750000000,  0.327475660000000 ]    mass: 22.989769  - symbol: Na # 68    coordinates: [  0.106909330000000,  0.171474250000000,  0.672524340000000 ]    mass: 22.989769  - symbol: Na # 69    coordinates: [  0.106909330000000,  0.328525750000000,  0.172524340000000 ]    mass: 22.989769  - symbol: Na # 70    coordinates: [  0.606909330000000,  0.171474250000000,  0.827475660000000 ]    mass: 22.989769  - symbol: Na # 71    coordinates: [  0.393090670000000,  0.671474250000000,  0.672524340000000 ]    mass: 22.989769  - symbol: Na # 72    coordinates: [  0.893090670000000,  0.828525750000000,  0.327475660000000 ]    mass: 22.989769  - symbol: Ga # 73    coordinates: [  0.827071330000000,  0.376136410000000,  0.960046530000000 ]    mass: 69.723000  - symbol: Ga # 74    coordinates: [  0.327071330000000,  0.123863590000000,  0.039953470000000 ]    mass: 69.723000  - symbol: Ga # 75    coordinates: [  0.672928670000000,  0.623863590000000,  0.460046530000000 ]    mass: 69.723000  - symbol: Ga # 76    coordinates: [  0.172928670000000,  0.876136410000000,  0.539953470000000 ]    mass: 69.723000  - symbol: Ga # 77    coordinates: [  0.172928670000000,  0.623863590000000,  0.039953470000000 ]    mass: 69.723000  - symbol: Ga # 78    coordinates: [  0.672928670000000,  0.876136410000000,  0.960046530000000 ]    mass: 69.723000  - symbol: Ga # 79    coordinates: [  0.327071330000000,  0.376136410000000,  0.539953470000000 ]    mass: 69.723000  - symbol: Ga # 80    coordinates: [  0.827071330000000,  0.123863590000000,  0.460046530000000 ]    mass: 69.723000  reciprocal_lattice: # without 2pi  - [     0.168422912871516,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.055624351382516,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.097073482053467 ] # c*unit_cell:  lattice:  - [     5.937434420000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    17.977737720000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.301474499999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.860607640000000,  0.879214740000000,  0.548121890000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.360607640000000,  0.620785260000000,  0.451878110000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.639392360000000,  0.120785260000000,  0.048121890000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.139392360000000,  0.379214740000000,  0.951878110000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.139392360000000,  0.120785260000000,  0.451878110000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.639392360000000,  0.379214740000000,  0.548121890000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.360607640000000,  0.879214740000000,  0.951878110000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.860607640000000,  0.620785260000000,  0.048121890000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.803787950000000,  0.954301190000000,  0.869025340000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.303787950000000,  0.545698810000000,  0.130974660000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.696212050000000,  0.045698810000000,  0.369025340000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.196212050000000,  0.454301190000000,  0.630974660000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.196212050000000,  0.045698810000000,  0.130974660000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.696212050000000,  0.454301190000000,  0.869025340000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.303787950000000,  0.954301190000000,  0.630974660000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.803787950000000,  0.545698810000000,  0.369025340000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.735523040000000,  0.288258600000000,  0.874281000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.235523040000000,  0.211741400000000,  0.125719000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.764476960000000,  0.711741400000000,  0.374281000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.264476960000000,  0.788258600000000,  0.625719000000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.264476960000000,  0.711741400000000,  0.125719000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.764476960000000,  0.788258600000000,  0.874281000000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.235523040000000,  0.288258600000000,  0.625719000000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.735523040000000,  0.211741400000000,  0.374281000000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.738533560000000,  0.125318890000000,  0.635229300000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.238533560000000,  0.374681110000000,  0.364770700000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.761466440000000,  0.874681110000000,  0.135229300000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.261466440000000,  0.625318890000000,  0.864770700000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.261466440000000,  0.874681110000000,  0.364770700000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.761466440000000,  0.625318890000000,  0.635229300000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.238533560000000,  0.125318890000000,  0.864770700000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.738533560000000,  0.374681110000000,  0.135229300000000 ]    mass: 15.999400    reduced_to: 32  - symbol: Na # 33    coordinates: [  0.924633620000000,  0.359856880000000,  0.699814370000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 34    coordinates: [  0.424633620000000,  0.140143120000000,  0.300185630000000 ]    mass: 22.989769    reduced_to: 34  - symbol: Na # 35    coordinates: [  0.575366380000000,  0.640143120000000,  0.199814370000000 ]    mass: 22.989769    reduced_to: 35  - symbol: Na # 36    coordinates: [  0.075366380000000,  0.859856880000000,  0.800185630000000 ]    mass: 22.989769    reduced_to: 36  - symbol: Na # 37    coordinates: [  0.075366380000000,  0.640143120000000,  0.300185630000000 ]    mass: 22.989769    reduced_to: 37  - symbol: Na # 38    coordinates: [  0.575366380000000,  0.859856880000000,  0.699814370000000 ]    mass: 22.989769    reduced_to: 38  - symbol: Na # 39    coordinates: [  0.424633620000000,  0.359856880000000,  0.800185630000000 ]    mass: 22.989769    reduced_to: 39  - symbol: Na # 40    coordinates: [  0.924633620000000,  0.140143120000000,  0.199814370000000 ]    mass: 22.989769    reduced_to: 40  - symbol: Na # 41    coordinates: [  0.910209430000000,  0.997697530000000,  0.662392440000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 42    coordinates: [  0.410209430000000,  0.502302470000000,  0.337607560000000 ]    mass: 22.989769    reduced_to: 42  - symbol: Na # 43    coordinates: [  0.589790570000000,  0.002302470000000,  0.162392440000000 ]    mass: 22.989769    reduced_to: 43  - symbol: Na # 44    coordinates: [  0.089790570000000,  0.497697530000000,  0.837607560000000 ]    mass: 22.989769    reduced_to: 44  - symbol: Na # 45    coordinates: [  0.089790570000000,  0.002302470000000,  0.337607560000000 ]    mass: 22.989769    reduced_to: 45  - symbol: Na # 46    coordinates: [  0.589790570000000,  0.497697530000000,  0.662392440000000 ]    mass: 22.989769    reduced_to: 46  - symbol: Na # 47    coordinates: [  0.410209430000000,  0.997697530000000,  0.837607560000000 ]    mass: 22.989769    reduced_to: 47  - symbol: Na # 48    coordinates: [  0.910209430000000,  0.502302470000000,  0.162392440000000 ]    mass: 22.989769    reduced_to: 48  - symbol: Na # 49    coordinates: [  0.895619780000000,  0.748436090000000,  0.580193110000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 50    coordinates: [  0.395619780000000,  0.751563910000000,  0.419806890000000 ]    mass: 22.989769    reduced_to: 50  - symbol: Na # 51    coordinates: [  0.604380220000000,  0.251563910000000,  0.080193110000000 ]    mass: 22.989769    reduced_to: 51  - symbol: Na # 52    coordinates: [  0.104380220000000,  0.248436090000000,  0.919806890000000 ]    mass: 22.989769    reduced_to: 52  - symbol: Na # 53    coordinates: [  0.104380220000000,  0.251563910000000,  0.419806890000000 ]    mass: 22.989769    reduced_to: 53  - symbol: Na # 54    coordinates: [  0.604380220000000,  0.248436090000000,  0.580193110000000 ]    mass: 22.989769    reduced_to: 54  - symbol: Na # 55    coordinates: [  0.395619780000000,  0.748436090000000,  0.919806890000000 ]    mass: 22.989769    reduced_to: 55  - symbol: Na # 56    coordinates: [  0.895619780000000,  0.751563910000000,  0.080193110000000 ]    mass: 22.989769    reduced_to: 56  - symbol: Na # 57    coordinates: [  0.918836670000000,  0.064882590000000,  0.939978300000000 ]    mass: 22.989769    reduced_to: 57  - symbol: Na # 58    coordinates: [  0.418836670000000,  0.435117410000000,  0.060021700000000 ]    mass: 22.989769    reduced_to: 58  - symbol: Na # 59    coordinates: [  0.581163330000000,  0.935117410000000,  0.439978300000000 ]    mass: 22.989769    reduced_to: 59  - symbol: Na # 60    coordinates: [  0.081163330000000,  0.564882590000000,  0.560021700000000 ]    mass: 22.989769    reduced_to: 60  - symbol: Na # 61    coordinates: [  0.081163330000000,  0.935117410000000,  0.060021700000000 ]    mass: 22.989769    reduced_to: 61  - symbol: Na # 62    coordinates: [  0.581163330000000,  0.564882590000000,  0.939978300000000 ]    mass: 22.989769    reduced_to: 62  - symbol: Na # 63    coordinates: [  0.418836670000000,  0.064882590000000,  0.560021700000000 ]    mass: 22.989769    reduced_to: 63  - symbol: Na # 64    coordinates: [  0.918836670000000,  0.435117410000000,  0.439978300000000 ]    mass: 22.989769    reduced_to: 64  - symbol: Na # 65    coordinates: [  0.893090670000000,  0.671474250000000,  0.827475660000000 ]    mass: 22.989769    reduced_to: 65  - symbol: Na # 66    coordinates: [  0.393090670000000,  0.828525750000000,  0.172524340000000 ]    mass: 22.989769    reduced_to: 66  - symbol: Na # 67    coordinates: [  0.606909330000000,  0.328525750000000,  0.327475660000000 ]    mass: 22.989769    reduced_to: 67  - symbol: Na # 68    coordinates: [  0.106909330000000,  0.171474250000000,  0.672524340000000 ]    mass: 22.989769    reduced_to: 68  - symbol: Na # 69    coordinates: [  0.106909330000000,  0.328525750000000,  0.172524340000000 ]    mass: 22.989769    reduced_to: 69  - symbol: Na # 70    coordinates: [  0.606909330000000,  0.171474250000000,  0.827475660000000 ]    mass: 22.989769    reduced_to: 70  - symbol: Na # 71    coordinates: [  0.393090670000000,  0.671474250000000,  0.672524340000000 ]    mass: 22.989769    reduced_to: 71  - symbol: Na # 72    coordinates: [  0.893090670000000,  0.828525750000000,  0.327475660000000 ]    mass: 22.989769    reduced_to: 72  - symbol: Ga # 73    coordinates: [  0.827071330000000,  0.376136410000000,  0.960046530000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 74    coordinates: [  0.327071330000000,  0.123863590000000,  0.039953470000000 ]    mass: 69.723000    reduced_to: 74  - symbol: Ga # 75    coordinates: [  0.672928670000000,  0.623863590000000,  0.460046530000000 ]    mass: 69.723000    reduced_to: 75  - symbol: Ga # 76    coordinates: [  0.172928670000000,  0.876136410000000,  0.539953470000000 ]    mass: 69.723000    reduced_to: 76  - symbol: Ga # 77    coordinates: [  0.172928670000000,  0.623863590000000,  0.039953470000000 ]    mass: 69.723000    reduced_to: 77  - symbol: Ga # 78    coordinates: [  0.672928670000000,  0.876136410000000,  0.960046530000000 ]    mass: 69.723000    reduced_to: 78  - symbol: Ga # 79    coordinates: [  0.327071330000000,  0.376136410000000,  0.539953470000000 ]    mass: 69.723000    reduced_to: 79  - symbol: Ga # 80    coordinates: [  0.827071330000000,  0.123863590000000,  0.460046530000000 ]    mass: 69.723000    reduced_to: 80supercell:  lattice:  - [     5.937434420000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    17.977737720000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.301474499999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.860607640000000,  0.879214740000000,  0.548121890000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.360607640000000,  0.620785260000000,  0.451878110000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.639392360000000,  0.120785260000000,  0.048121890000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.139392360000000,  0.379214740000000,  0.951878110000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.139392360000000,  0.120785260000000,  0.451878110000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.639392360000000,  0.379214740000000,  0.548121890000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.360607640000000,  0.879214740000000,  0.951878110000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.860607640000000,  0.620785260000000,  0.048121890000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.803787950000000,  0.954301190000000,  0.869025340000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.303787950000000,  0.545698810000000,  0.130974660000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.696212050000000,  0.045698810000000,  0.369025340000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.196212050000000,  0.454301190000000,  0.630974660000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.196212050000000,  0.045698810000000,  0.130974660000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.696212050000000,  0.454301190000000,  0.869025340000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.303787950000000,  0.954301190000000,  0.630974660000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.803787950000000,  0.545698810000000,  0.369025340000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.735523040000000,  0.288258600000000,  0.874281000000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.235523040000000,  0.211741400000000,  0.125719000000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.764476960000000,  0.711741400000000,  0.374281000000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.264476960000000,  0.788258600000000,  0.625719000000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.264476960000000,  0.711741400000000,  0.125719000000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.764476960000000,  0.788258600000000,  0.874281000000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.235523040000000,  0.288258600000000,  0.625719000000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.735523040000000,  0.211741400000000,  0.374281000000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.738533560000000,  0.125318890000000,  0.635229300000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.238533560000000,  0.374681110000000,  0.364770700000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.761466440000000,  0.874681110000000,  0.135229300000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.261466440000000,  0.625318890000000,  0.864770700000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.261466440000000,  0.874681110000000,  0.364770700000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.761466440000000,  0.625318890000000,  0.635229300000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.238533560000000,  0.125318890000000,  0.864770700000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.738533560000000,  0.374681110000000,  0.135229300000000 ]    mass: 15.999400    reduced_to: 32  - symbol: Na # 33    coordinates: [  0.924633620000000,  0.359856880000000,  0.699814370000000 ]    mass: 22.989769    reduced_to: 33  - symbol: Na # 34    coordinates: [  0.424633620000000,  0.140143120000000,  0.300185630000000 ]    mass: 22.989769    reduced_to: 34  - symbol: Na # 35    coordinates: [  0.575366380000000,  0.640143120000000,  0.199814370000000 ]    mass: 22.989769    reduced_to: 35  - symbol: Na # 36    coordinates: [  0.075366380000000,  0.859856880000000,  0.800185630000000 ]    mass: 22.989769    reduced_to: 36  - symbol: Na # 37    coordinates: [  0.075366380000000,  0.640143120000000,  0.300185630000000 ]    mass: 22.989769    reduced_to: 37  - symbol: Na # 38    coordinates: [  0.575366380000000,  0.859856880000000,  0.699814370000000 ]    mass: 22.989769    reduced_to: 38  - symbol: Na # 39    coordinates: [  0.424633620000000,  0.359856880000000,  0.800185630000000 ]    mass: 22.989769    reduced_to: 39  - symbol: Na # 40    coordinates: [  0.924633620000000,  0.140143120000000,  0.199814370000000 ]    mass: 22.989769    reduced_to: 40  - symbol: Na # 41    coordinates: [  0.910209430000000,  0.997697530000000,  0.662392440000000 ]    mass: 22.989769    reduced_to: 41  - symbol: Na # 42    coordinates: [  0.410209430000000,  0.502302470000000,  0.337607560000000 ]    mass: 22.989769    reduced_to: 42  - symbol: Na # 43    coordinates: [  0.589790570000000,  0.002302470000000,  0.162392440000000 ]    mass: 22.989769    reduced_to: 43  - symbol: Na # 44    coordinates: [  0.089790570000000,  0.497697530000000,  0.837607560000000 ]    mass: 22.989769    reduced_to: 44  - symbol: Na # 45    coordinates: [  0.089790570000000,  0.002302470000000,  0.337607560000000 ]    mass: 22.989769    reduced_to: 45  - symbol: Na # 46    coordinates: [  0.589790570000000,  0.497697530000000,  0.662392440000000 ]    mass: 22.989769    reduced_to: 46  - symbol: Na # 47    coordinates: [  0.410209430000000,  0.997697530000000,  0.837607560000000 ]    mass: 22.989769    reduced_to: 47  - symbol: Na # 48    coordinates: [  0.910209430000000,  0.502302470000000,  0.162392440000000 ]    mass: 22.989769    reduced_to: 48  - symbol: Na # 49    coordinates: [  0.895619780000000,  0.748436090000000,  0.580193110000000 ]    mass: 22.989769    reduced_to: 49  - symbol: Na # 50    coordinates: [  0.395619780000000,  0.751563910000000,  0.419806890000000 ]    mass: 22.989769    reduced_to: 50  - symbol: Na # 51    coordinates: [  0.604380220000000,  0.251563910000000,  0.080193110000000 ]    mass: 22.989769    reduced_to: 51  - symbol: Na # 52    coordinates: [  0.104380220000000,  0.248436090000000,  0.919806890000000 ]    mass: 22.989769    reduced_to: 52  - symbol: Na # 53    coordinates: [  0.104380220000000,  0.251563910000000,  0.419806890000000 ]    mass: 22.989769    reduced_to: 53  - symbol: Na # 54    coordinates: [  0.604380220000000,  0.248436090000000,  0.580193110000000 ]    mass: 22.989769    reduced_to: 54  - symbol: Na # 55    coordinates: [  0.395619780000000,  0.748436090000000,  0.919806890000000 ]    mass: 22.989769    reduced_to: 55  - symbol: Na # 56    coordinates: [  0.895619780000000,  0.751563910000000,  0.080193110000000 ]    mass: 22.989769    reduced_to: 56  - symbol: Na # 57    coordinates: [  0.918836670000000,  0.064882590000000,  0.939978300000000 ]    mass: 22.989769    reduced_to: 57  - symbol: Na # 58    coordinates: [  0.418836670000000,  0.435117410000000,  0.060021700000000 ]    mass: 22.989769    reduced_to: 58  - symbol: Na # 59    coordinates: [  0.581163330000000,  0.935117410000000,  0.439978300000000 ]    mass: 22.989769    reduced_to: 59  - symbol: Na # 60    coordinates: [  0.081163330000000,  0.564882590000000,  0.560021700000000 ]    mass: 22.989769    reduced_to: 60  - symbol: Na # 61    coordinates: [  0.081163330000000,  0.935117410000000,  0.060021700000000 ]    mass: 22.989769    reduced_to: 61  - symbol: Na # 62    coordinates: [  0.581163330000000,  0.564882590000000,  0.939978300000000 ]    mass: 22.989769    reduced_to: 62  - symbol: Na # 63    coordinates: [  0.418836670000000,  0.064882590000000,  0.560021700000000 ]    mass: 22.989769    reduced_to: 63  - symbol: Na # 64    coordinates: [  0.918836670000000,  0.435117410000000,  0.439978300000000 ]    mass: 22.989769    reduced_to: 64  - symbol: Na # 65    coordinates: [  0.893090670000000,  0.671474250000000,  0.827475660000000 ]    mass: 22.989769    reduced_to: 65  - symbol: Na # 66    coordinates: [  0.393090670000000,  0.828525750000000,  0.172524340000000 ]    mass: 22.989769    reduced_to: 66  - symbol: Na # 67    coordinates: [  0.606909330000000,  0.328525750000000,  0.327475660000000 ]    mass: 22.989769    reduced_to: 67  - symbol: Na # 68    coordinates: [  0.106909330000000,  0.171474250000000,  0.672524340000000 ]    mass: 22.989769    reduced_to: 68  - symbol: Na # 69    coordinates: [  0.106909330000000,  0.328525750000000,  0.172524340000000 ]    mass: 22.989769    reduced_to: 69  - symbol: Na # 70    coordinates: [  0.606909330000000,  0.171474250000000,  0.827475660000000 ]    mass: 22.989769    reduced_to: 70  - symbol: Na # 71    coordinates: [  0.393090670000000,  0.671474250000000,  0.672524340000000 ]    mass: 22.989769    reduced_to: 71  - symbol: Na # 72    coordinates: [  0.893090670000000,  0.828525750000000,  0.327475660000000 ]    mass: 22.989769    reduced_to: 72  - symbol: Ga # 73    coordinates: [  0.827071330000000,  0.376136410000000,  0.960046530000000 ]    mass: 69.723000    reduced_to: 73  - symbol: Ga # 74    coordinates: [  0.327071330000000,  0.123863590000000,  0.039953470000000 ]    mass: 69.723000    reduced_to: 74  - symbol: Ga # 75    coordinates: [  0.672928670000000,  0.623863590000000,  0.460046530000000 ]    mass: 69.723000    reduced_to: 75  - symbol: Ga # 76    coordinates: [  0.172928670000000,  0.876136410000000,  0.539953470000000 ]    mass: 69.723000    reduced_to: 76  - symbol: Ga # 77    coordinates: [  0.172928670000000,  0.623863590000000,  0.039953470000000 ]    mass: 69.723000    reduced_to: 77  - symbol: Ga # 78    coordinates: [  0.672928670000000,  0.876136410000000,  0.960046530000000 ]    mass: 69.723000    reduced_to: 78  - symbol: Ga # 79    coordinates: [  0.327071330000000,  0.376136410000000,  0.539953470000000 ]    mass: 69.723000    reduced_to: 79  - symbol: Ga # 80    coordinates: [  0.827071330000000,  0.123863590000000,  0.460046530000000 ]    mass: 69.723000    reduced_to: 80displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1873035100000000,  0.0139781700000000,  0.0045904100000000 ]  - [   0.0002101500000000, -0.0002327400000000, -0.0006071600000000 ]  - [   0.0004068400000000,  0.0001061700000000,  0.0002813800000000 ]  - [   0.0002543700000000, -0.0002157800000000, -0.0001215200000000 ]  - [  -0.0001569000000000,  0.0004527000000000, -0.0004016500000000 ]  - [   0.0002900600000000, -0.0002204000000000,  0.0000862600000000 ]  - [   0.0004128900000000, -0.0001400100000000, -0.0000799900000000 ]  - [  -0.0004657600000000,  0.0002726900000000,  0.0002824800000000 ]  - [  -0.0004130000000000, -0.0001367400000000, -0.0018487400000000 ]  - 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