# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3c8d8d08-091a-4ede-87f7-6ba864c9c14a/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 AlInI4 / P2_1/m (11) / materials id 571260](https://mdr.nims.go.jp/datasets/bbdf5e4e-534f-4459-b399-0ddc903a2e8a)

## 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/m"  number: 11  Hall_symbol: "-P 2yb"supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     7.025219460000000,     0.000000000000000,    -0.047394440000000 ] # a  - [     0.000000000000000,    11.492692130000000,     0.000000000000000 ] # b  - [    -1.255424020000000,     0.000000000000000,    11.954160229999999 ] # c  points:  - symbol: Al # 1    coordinates: [  0.278727860000000,  0.250000000000000,  0.556940850000000 ]    mass: 26.981539  - symbol: Al # 2    coordinates: [  0.721272140000000,  0.750000000000000,  0.443059150000000 ]    mass: 26.981539  - symbol: Al # 3    coordinates: [  0.074700820000000,  0.250000000000000,  0.032560100000000 ]    mass: 26.981539  - symbol: Al # 4    coordinates: [  0.925299180000000,  0.750000000000000,  0.967439900000000 ]    mass: 26.981539  - symbol: In # 5    coordinates: [  0.910493130000000,  0.518740460000000,  0.696488690000000 ]    mass: 114.818000  - symbol: In # 6    coordinates: [  0.089506870000000,  0.481259540000000,  0.303511310000000 ]    mass: 114.818000  - symbol: In # 7    coordinates: [  0.089506870000000,  0.018740460000000,  0.303511310000000 ]    mass: 114.818000  - symbol: In # 8    coordinates: [  0.910493130000000,  0.981259540000000,  0.696488690000000 ]    mass: 114.818000  - symbol: I  # 9    coordinates: [  0.397925760000000,  0.250000000000000,  0.362426270000000 ]    mass: 126.904470  - symbol: I  # 10    coordinates: [  0.277889750000000,  0.067448940000000,  0.063502640000000 ]    mass: 126.904470  - symbol: I  # 11    coordinates: [  0.914111420000000,  0.250000000000000,  0.512161370000000 ]    mass: 126.904470  - symbol: I  # 12    coordinates: [  0.609473270000000,  0.565799170000000,  0.338974530000000 ]    mass: 126.904470  - symbol: I  # 13    coordinates: [  0.909658680000000,  0.250000000000000,  0.832367720000000 ]    mass: 126.904470  - symbol: I  # 14    coordinates: [  0.827373890000000,  0.250000000000000,  0.174013960000000 ]    mass: 126.904470  - symbol: I  # 15    coordinates: [  0.277889750000000,  0.432551060000000,  0.063502640000000 ]    mass: 126.904470  - symbol: I  # 16    coordinates: [  0.722110250000000,  0.932551060000000,  0.936497360000000 ]    mass: 126.904470  - symbol: I  # 17    coordinates: [  0.602074240000000,  0.750000000000000,  0.637573730000000 ]    mass: 126.904470  - symbol: I  # 18    coordinates: [  0.390526730000000,  0.434200830000000,  0.661025470000000 ]    mass: 126.904470  - symbol: I  # 19    coordinates: [  0.609473270000000,  0.934200830000000,  0.338974530000000 ]    mass: 126.904470  - symbol: I  # 20    coordinates: [  0.085888580000000,  0.750000000000000,  0.487838630000000 ]    mass: 126.904470  - symbol: I  # 21    coordinates: [  0.090341320000000,  0.750000000000000,  0.167632280000000 ]    mass: 126.904470  - symbol: I  # 22    coordinates: [  0.390526730000000,  0.065799170000000,  0.661025470000000 ]    mass: 126.904470  - symbol: I  # 23    coordinates: [  0.722110250000000,  0.567448940000000,  0.936497360000000 ]    mass: 126.904470  - symbol: I  # 24    coordinates: [  0.172626110000000,  0.750000000000000,  0.825986040000000 ]    mass: 126.904470  reciprocal_lattice: # without 2pi  - [     0.142445229847066,     0.000000000000000,     0.014959575548907 ] # a*  - [     0.000000000000000,     0.087011814872309,     0.000000000000000 ] # b*  - [     0.000564749992419,     0.000000000000000,     0.083712195708605 ] # c*unit_cell:  lattice:  - [     7.025219460000000,     0.000000000000000,    -0.047394440000000 ] # a  - [     0.000000000000000,    11.492692130000000,     0.000000000000000 ] # b  - [    -1.255424020000000,     0.000000000000000,    11.954160229999999 ] # c  points:  - symbol: Al # 1    coordinates: [  0.278727860000000,  0.250000000000000,  0.556940850000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 2    coordinates: [  0.721272140000000,  0.750000000000000,  0.443059150000000 ]    mass: 26.981539    reduced_to: 2  - symbol: Al # 3    coordinates: [  0.074700820000000,  0.250000000000000,  0.032560100000000 ]    mass: 26.981539    reduced_to: 3  - symbol: Al # 4    coordinates: [  0.925299180000000,  0.750000000000000,  0.967439900000000 ]    mass: 26.981539    reduced_to: 4  - symbol: In # 5    coordinates: [  0.910493130000000,  0.518740460000000,  0.696488690000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 6    coordinates: [  0.089506870000000,  0.481259540000000,  0.303511310000000 ]    mass: 114.818000    reduced_to: 6  - symbol: In # 7    coordinates: [  0.089506870000000,  0.018740460000000,  0.303511310000000 ]    mass: 114.818000    reduced_to: 7  - symbol: In # 8    coordinates: [  0.910493130000000,  0.981259540000000,  0.696488690000000 ]    mass: 114.818000    reduced_to: 8  - symbol: I  # 9    coordinates: [  0.397925760000000,  0.250000000000000,  0.362426270000000 ]    mass: 126.904470    reduced_to: 9  - symbol: I  # 10    coordinates: [  0.277889750000000,  0.067448940000000,  0.063502640000000 ]    mass: 126.904470    reduced_to: 10  - symbol: I  # 11    coordinates: [  0.914111420000000,  0.250000000000000,  0.512161370000000 ]    mass: 126.904470    reduced_to: 11  - symbol: I  # 12    coordinates: [  0.609473270000000,  0.565799170000000,  0.338974530000000 ]    mass: 126.904470    reduced_to: 12  - symbol: I  # 13    coordinates: [  0.909658680000000,  0.250000000000000,  0.832367720000000 ]    mass: 126.904470    reduced_to: 13  - symbol: I  # 14    coordinates: [  0.827373890000000,  0.250000000000000,  0.174013960000000 ]    mass: 126.904470    reduced_to: 14  - symbol: I  # 15    coordinates: [  0.277889750000000,  0.432551060000000,  0.063502640000000 ]    mass: 126.904470    reduced_to: 15  - symbol: I  # 16    coordinates: [  0.722110250000000,  0.932551060000000,  0.936497360000000 ]    mass: 126.904470    reduced_to: 16  - symbol: I  # 17    coordinates: [  0.602074240000000,  0.750000000000000,  0.637573730000000 ]    mass: 126.904470    reduced_to: 17  - symbol: I  # 18    coordinates: [  0.390526730000000,  0.434200830000000,  0.661025470000000 ]    mass: 126.904470    reduced_to: 18  - symbol: I  # 19    coordinates: [  0.609473270000000,  0.934200830000000,  0.338974530000000 ]    mass: 126.904470    reduced_to: 19  - symbol: I  # 20    coordinates: [  0.085888580000000,  0.750000000000000,  0.487838630000000 ]    mass: 126.904470    reduced_to: 20  - symbol: I  # 21    coordinates: [  0.090341320000000,  0.750000000000000,  0.167632280000000 ]    mass: 126.904470    reduced_to: 21  - symbol: I  # 22    coordinates: [  0.390526730000000,  0.065799170000000,  0.661025470000000 ]    mass: 126.904470    reduced_to: 22  - symbol: I  # 23    coordinates: [  0.722110250000000,  0.567448940000000,  0.936497360000000 ]    mass: 126.904470    reduced_to: 23  - symbol: I  # 24    coordinates: [  0.172626110000000,  0.750000000000000,  0.825986040000000 ]    mass: 126.904470    reduced_to: 24supercell:  lattice:  - [    14.050438919999999,     0.000000000000000,    -0.094788880000000 ] # a  - [     0.000000000000000,    22.985384260000000,     0.000000000000000 ] # b  - [    -1.255424020000000,     0.000000000000000,    11.954160229999999 ] # c  points:  - symbol: Al # 1    coordinates: [  0.139363930000000,  0.125000000000000,  0.556940850000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 2    coordinates: [  0.639363930000000,  0.125000000000000,  0.556940850000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 3    coordinates: [  0.139363930000000,  0.625000000000000,  0.556940850000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 4    coordinates: [  0.639363930000000,  0.625000000000000,  0.556940850000000 ]    mass: 26.981539    reduced_to: 1  - symbol: Al # 5    coordinates: [  0.360636070000000,  0.375000000000000,  0.443059150000000 ]    mass: 26.981539    reduced_to: 5  - symbol: Al # 6    coordinates: [  0.860636070000000,  0.375000000000000,  0.443059150000000 ]    mass: 26.981539    reduced_to: 5  - symbol: Al # 7    coordinates: [  0.360636070000000,  0.875000000000000,  0.443059150000000 ]    mass: 26.981539    reduced_to: 5  - symbol: Al # 8    coordinates: [  0.860636070000000,  0.875000000000000,  0.443059150000000 ]    mass: 26.981539    reduced_to: 5  - symbol: Al # 9    coordinates: [  0.037350410000000,  0.125000000000000,  0.032560100000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 10    coordinates: [  0.537350410000000,  0.125000000000000,  0.032560100000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 11    coordinates: [  0.037350410000000,  0.625000000000000,  0.032560100000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 12    coordinates: [  0.537350410000000,  0.625000000000000,  0.032560100000000 ]    mass: 26.981539    reduced_to: 9  - symbol: Al # 13    coordinates: [  0.462649590000000,  0.375000000000000,  0.967439900000000 ]    mass: 26.981539    reduced_to: 13  - symbol: Al # 14    coordinates: [  0.962649590000000,  0.375000000000000,  0.967439900000000 ]    mass: 26.981539    reduced_to: 13  - symbol: Al # 15    coordinates: [  0.462649590000000,  0.875000000000000,  0.967439900000000 ]    mass: 26.981539    reduced_to: 13  - symbol: Al # 16    coordinates: [  0.962649590000000,  0.875000000000000,  0.967439900000000 ]    mass: 26.981539    reduced_to: 13  - symbol: In # 17    coordinates: [  0.455246565000000,  0.259370230000000,  0.696488690000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 18    coordinates: [  0.955246565000000,  0.259370230000000,  0.696488690000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 19    coordinates: [  0.455246565000000,  0.759370230000000,  0.696488690000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 20    coordinates: [  0.955246565000000,  0.759370230000000,  0.696488690000000 ]    mass: 114.818000    reduced_to: 17  - symbol: In # 21    coordinates: [  0.044753435000000,  0.240629770000000,  0.303511310000000 ]    mass: 114.818000    reduced_to: 21  - symbol: In # 22    coordinates: [  0.544753435000000,  0.240629770000000,  0.303511310000000 ]    mass: 114.818000    reduced_to: 21  - symbol: In # 23    coordinates: [  0.044753435000000,  0.740629770000000,  0.303511310000000 ]    mass: 114.818000    reduced_to: 21  - symbol: In # 24    coordinates: [  0.544753435000000,  0.740629770000000,  0.303511310000000 ]    mass: 114.818000    reduced_to: 21  - symbol: In # 25    coordinates: [  0.044753435000000,  0.009370230000000,  0.303511310000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 26    coordinates: [  0.544753435000000,  0.009370230000000,  0.303511310000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 27    coordinates: [  0.044753435000000,  0.509370230000000,  0.303511310000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 28    coordinates: [  0.544753435000000,  0.509370230000000,  0.303511310000000 ]    mass: 114.818000    reduced_to: 25  - symbol: In # 29    coordinates: [  0.455246565000000,  0.490629770000000,  0.696488690000000 ]    mass: 114.818000    reduced_to: 29  - symbol: In # 30    coordinates: [  0.955246565000000,  0.490629770000000,  0.696488690000000 ]    mass: 114.818000    reduced_to: 29  - symbol: In # 31    coordinates: [  0.455246565000000,  0.990629770000000,  0.696488690000000 ]    mass: 114.818000    reduced_to: 29  - symbol: In # 32    coordinates: [  0.955246565000000,  0.990629770000000,  0.696488690000000 ]    mass: 114.818000    reduced_to: 29  - symbol: I  # 33    coordinates: [  0.198962880000000,  0.125000000000000,  0.362426270000000 ]    mass: 126.904470    reduced_to: 33  - symbol: I  # 34    coordinates: [  0.698962880000000,  0.125000000000000,  0.362426270000000 ]    mass: 126.904470    reduced_to: 33  - symbol: I  # 35    coordinates: [  0.198962880000000,  0.625000000000000,  0.362426270000000 ]    mass: 126.904470    reduced_to: 33  - symbol: I  # 36    coordinates: [  0.698962880000000,  0.625000000000000,  0.362426270000000 ]    mass: 126.904470    reduced_to: 33  - symbol: I  # 37    coordinates: [  0.138944875000000,  0.033724470000000,  0.063502640000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 38    coordinates: [  0.638944875000000,  0.033724470000000,  0.063502640000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 39    coordinates: [  0.138944875000000,  0.533724470000000,  0.063502640000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 40    coordinates: [  0.638944875000000,  0.533724470000000,  0.063502640000000 ]    mass: 126.904470    reduced_to: 37  - symbol: I  # 41    coordinates: [  0.457055710000000,  0.125000000000000,  0.512161370000000 ]    mass: 126.904470    reduced_to: 41  - symbol: I  # 42    coordinates: [  0.957055710000000,  0.125000000000000,  0.512161370000000 ]    mass: 126.904470    reduced_to: 41  - symbol: I  # 43    coordinates: [  0.457055710000000,  0.625000000000000,  0.512161370000000 ]    mass: 126.904470    reduced_to: 41  - symbol: I  # 44    coordinates: [  0.957055710000000,  0.625000000000000,  0.512161370000000 ]    mass: 126.904470    reduced_to: 41  - symbol: I  # 45    coordinates: [  0.304736635000000,  0.282899585000000,  0.338974530000000 ]    mass: 126.904470    reduced_to: 45  - symbol: I  # 46    coordinates: [  0.804736635000000,  0.282899585000000,  0.338974530000000 ]    mass: 126.904470    reduced_to: 45  - symbol: I  # 47    coordinates: [  0.304736635000000,  0.782899585000000,  0.338974530000000 ]    mass: 126.904470    reduced_to: 45  - symbol: I  # 48    coordinates: [  0.804736635000000,  0.782899585000000,  0.338974530000000 ]    mass: 126.904470    reduced_to: 45  - symbol: I  # 49    coordinates: [  0.454829340000000,  0.125000000000000,  0.832367720000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 50    coordinates: [  0.954829340000000,  0.125000000000000,  0.832367720000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 51    coordinates: [  0.454829340000000,  0.625000000000000,  0.832367720000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 52    coordinates: [  0.954829340000000,  0.625000000000000,  0.832367720000000 ]    mass: 126.904470    reduced_to: 49  - symbol: I  # 53    coordinates: [  0.413686945000000,  0.125000000000000,  0.174013960000000 ]    mass: 126.904470    reduced_to: 53  - symbol: I  # 54    coordinates: [  0.913686945000000,  0.125000000000000,  0.174013960000000 ]    mass: 126.904470    reduced_to: 53  - symbol: I  # 55    coordinates: [  0.413686945000000,  0.625000000000000,  0.174013960000000 ]    mass: 126.904470    reduced_to: 53  - symbol: I  # 56    coordinates: [  0.913686945000000,  0.625000000000000,  0.174013960000000 ]    mass: 126.904470    reduced_to: 53  - symbol: I  # 57    coordinates: [  0.138944875000000,  0.216275530000000,  0.063502640000000 ]    mass: 126.904470    reduced_to: 57  - symbol: I  # 58    coordinates: [  0.638944875000000,  0.216275530000000,  0.063502640000000 ]    mass: 126.904470    reduced_to: 57  - symbol: I  # 59    coordinates: [  0.138944875000000,  0.716275530000000,  0.063502640000000 ]    mass: 126.904470    reduced_to: 57  - symbol: I  # 60    coordinates: [  0.638944875000000,  0.716275530000000,  0.063502640000000 ]    mass: 126.904470    reduced_to: 57  - symbol: I  # 61    coordinates: [  0.361055125000000,  0.466275530000000,  0.936497360000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 62    coordinates: [  0.861055125000000,  0.466275530000000,  0.936497360000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 63    coordinates: [  0.361055125000000,  0.966275530000000,  0.936497360000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 64    coordinates: [  0.861055125000000,  0.966275530000000,  0.936497360000000 ]    mass: 126.904470    reduced_to: 61  - symbol: I  # 65    coordinates: [  0.301037120000000,  0.375000000000000,  0.637573730000000 ]    mass: 126.904470    reduced_to: 65  - symbol: I  # 66    coordinates: [  0.801037120000000,  0.375000000000000,  0.637573730000000 ]    mass: 126.904470    reduced_to: 65  - symbol: I  # 67    coordinates: [  0.301037120000000,  0.875000000000000,  0.637573730000000 ]    mass: 126.904470    reduced_to: 65  - symbol: I  # 68    coordinates: [  0.801037120000000,  0.875000000000000,  0.637573730000000 ]    mass: 126.904470    reduced_to: 65  - symbol: I  # 69    coordinates: [  0.195263365000000,  0.217100415000000,  0.661025470000000 ]    mass: 126.904470    reduced_to: 69  - symbol: I  # 70    coordinates: [  0.695263365000000,  0.217100415000000,  0.661025470000000 ]    mass: 126.904470    reduced_to: 69  - symbol: I  # 71    coordinates: [  0.195263365000000,  0.717100415000000,  0.661025470000000 ]    mass: 126.904470    reduced_to: 69  - symbol: I  # 72    coordinates: [  0.695263365000000,  0.717100415000000,  0.661025470000000 ]    mass: 126.904470    reduced_to: 69  - symbol: I  # 73    coordinates: [  0.304736635000000,  0.467100415000000,  0.338974530000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 74    coordinates: [  0.804736635000000,  0.467100415000000,  0.338974530000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 75    coordinates: [  0.304736635000000,  0.967100415000000,  0.338974530000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 76    coordinates: [  0.804736635000000,  0.967100415000000,  0.338974530000000 ]    mass: 126.904470    reduced_to: 73  - symbol: I  # 77    coordinates: [  0.042944290000000,  0.375000000000000,  0.487838630000000 ]    mass: 126.904470    reduced_to: 77  - symbol: I  # 78    coordinates: [  0.542944290000000,  0.375000000000000,  0.487838630000000 ]    mass: 126.904470    reduced_to: 77  - symbol: I  # 79    coordinates: [  0.042944290000000,  0.875000000000000,  0.487838630000000 ]    mass: 126.904470    reduced_to: 77  - symbol: I  # 80    coordinates: [  0.542944290000000,  0.875000000000000,  0.487838630000000 ]    mass: 126.904470    reduced_to: 77  - 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