# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e794e688-d798-4004-9b39-d9dfe5675dcd/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 Li3In2(PO4)3 / P2_1/c (14) / materials id 14488](https://mdr.nims.go.jp/datasets/95f5be8a-7b6b-4c61-a055-634fa419c2ec)

## 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:  - [     8.579547290000001,     0.000000000000000,    -0.001511860000000 ] # a  - [     0.000000000000000,     8.907968960000000,     0.000000000000000 ] # b  - [    -8.588263970000000,     0.000000000000000,    12.261335910000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.643050660000000,  0.783470430000000,  0.820050670000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.356949340000000,  0.283470430000000,  0.679949330000000 ]    mass: 6.941000  - symbol: Li # 3    coordinates: [  0.356949340000000,  0.216529570000000,  0.179949330000000 ]    mass: 6.941000  - symbol: Li # 4    coordinates: [  0.643050660000000,  0.716529570000000,  0.320050670000000 ]    mass: 6.941000  - symbol: Li # 5    coordinates: [  0.413202250000000,  0.010366770000000,  0.848324360000000 ]    mass: 6.941000  - symbol: Li # 6    coordinates: [  0.586797750000000,  0.510366770000000,  0.651675640000000 ]    mass: 6.941000  - symbol: Li # 7    coordinates: [  0.586797750000000,  0.989633230000000,  0.151675640000000 ]    mass: 6.941000  - symbol: Li # 8    coordinates: [  0.413202250000000,  0.489633230000000,  0.348324360000000 ]    mass: 6.941000  - symbol: Li # 9    coordinates: [  0.231648720000000,  0.084361730000000,  0.315604610000000 ]    mass: 6.941000  - symbol: Li # 10    coordinates: [  0.768351280000000,  0.584361730000000,  0.184395390000000 ]    mass: 6.941000  - symbol: Li # 11    coordinates: [  0.768351280000000,  0.915638270000000,  0.684395390000000 ]    mass: 6.941000  - symbol: Li # 12    coordinates: [  0.231648720000000,  0.415638270000000,  0.815604610000000 ]    mass: 6.941000  - symbol: O  # 13    coordinates: [  0.066615990000000,  0.206977730000000,  0.183766470000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.933384010000000,  0.706977730000000,  0.316233530000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.933384010000000,  0.793022270000000,  0.816233530000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.066615990000000,  0.293022270000000,  0.683766470000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.254961110000000,  0.077776550000000,  0.695307480000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.745038890000000,  0.577776550000000,  0.804692520000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.745038890000000,  0.922223450000000,  0.304692520000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.254961110000000,  0.422223450000000,  0.195307480000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.650006020000000,  0.170494800000000,  0.099326890000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.349993980000000,  0.670494800000000,  0.400673110000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.349993980000000,  0.829505200000000,  0.900673110000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.650006020000000,  0.329505200000000,  0.599326890000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.510475210000000,  0.873126430000000,  0.552022290000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.489524790000000,  0.373126430000000,  0.947977710000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.489524790000000,  0.126873570000000,  0.447977710000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.510475210000000,  0.626873570000000,  0.052022290000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.634540990000000,  0.994617320000000,  0.749718270000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.365459010000000,  0.494617320000000,  0.750281730000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.365459010000000,  0.005382680000000,  0.250281730000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.634540990000000,  0.505382680000000,  0.249718270000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.370604500000000,  0.763428920000000,  0.694598150000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.629395500000000,  0.263428920000000,  0.805401850000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.629395500000000,  0.236571080000000,  0.305401850000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.370604500000000,  0.736571080000000,  0.194598150000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.687690210000000,  0.044045000000000,  0.927348620000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.312309790000000,  0.544045000000000,  0.572651380000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.312309790000000,  0.955955000000000,  0.072651380000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.687690210000000,  0.455955000000000,  0.427348620000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.008767190000000,  0.971460140000000,  0.278794220000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.991232810000000,  0.471460140000000,  0.221205780000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.991232810000000,  0.028539860000000,  0.721205780000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.008767190000000,  0.528539860000000,  0.778794220000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.363930840000000,  0.189635330000000,  0.560776350000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.636069160000000,  0.689635330000000,  0.939223650000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.636069160000000,  0.810364670000000,  0.439223650000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.363930840000000,  0.310364670000000,  0.060776350000000 ]    mass: 15.999400  - symbol: O  # 49    coordinates: [  0.056503280000000,  0.882459110000000,  0.100529000000000 ]    mass: 15.999400  - 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symbol: O  # 59    coordinates: [  0.910834390000000,  0.101828410000000,  0.535099470000000 ]    mass: 15.999400  - symbol: O  # 60    coordinates: [  0.089165610000000,  0.601828410000000,  0.964900530000000 ]    mass: 15.999400  - symbol: P  # 61    coordinates: [  0.536527410000000,  0.752566710000000,  0.991146190000000 ]    mass: 30.973762  - symbol: P  # 62    coordinates: [  0.463472590000000,  0.252566710000000,  0.508853810000000 ]    mass: 30.973762  - symbol: P  # 63    coordinates: [  0.463472590000000,  0.247433290000000,  0.008853810000000 ]    mass: 30.973762  - symbol: P  # 64    coordinates: [  0.536527410000000,  0.747433290000000,  0.491146190000000 ]    mass: 30.973762  - symbol: P  # 65    coordinates: [  0.952149200000000,  0.878152070000000,  0.342287810000000 ]    mass: 30.973762  - symbol: P  # 66    coordinates: [  0.047850800000000,  0.378152070000000,  0.157712190000000 ]    mass: 30.973762  - symbol: P  # 67    coordinates: [  0.047850800000000,  0.121847930000000,  0.657712190000000 ]    mass: 30.973762  - symbol: P  # 68    coordinates: [  0.952149200000000,  0.621847930000000,  0.842287810000000 ]    mass: 30.973762  - symbol: P  # 69    coordinates: [  0.729810970000000,  0.109210150000000,  0.846244350000000 ]    mass: 30.973762  - symbol: P  # 70    coordinates: [  0.270189030000000,  0.609210150000000,  0.653755650000000 ]    mass: 30.973762  - symbol: P  # 71    coordinates: [  0.270189030000000,  0.890789850000000,  0.153755650000000 ]    mass: 30.973762  - symbol: P  # 72    coordinates: [  0.729810970000000,  0.390789850000000,  0.346244350000000 ]    mass: 30.973762  - symbol: In # 73    coordinates: [  0.343887380000000,  0.963248430000000,  0.603239430000000 ]    mass: 114.818000  - symbol: In # 74    coordinates: [  0.656112620000000,  0.463248430000000,  0.896760570000000 ]    mass: 114.818000  - symbol: In # 75    coordinates: [  0.656112620000000,  0.036751570000000,  0.396760570000000 ]    mass: 114.818000  - symbol: In # 76    coordinates: [  0.343887380000000,  0.536751570000000,  0.103239430000000 ]    mass: 114.818000  - symbol: In # 77    coordinates: [  0.864965020000000,  0.030631300000000,  0.101994190000000 ]    mass: 114.818000  - symbol: In # 78    coordinates: [  0.135034980000000,  0.530631300000000,  0.398005810000000 ]    mass: 114.818000  - symbol: In # 79    coordinates: [  0.135034980000000,  0.969368700000000,  0.898005810000000 ]    mass: 114.818000  - symbol: In # 80    coordinates: [  0.864965020000000,  0.469368700000000,  0.601994190000000 ]    mass: 114.818000  reciprocal_lattice: # without 2pi  - [     0.116570654574823,     0.000000000000000,     0.081650120345187 ] # a*  - [    -0.000000000000000,     0.112259035083122,     0.000000000000000 ] # b*  - [     0.000014373516158,     0.000000000000000,     0.081567249351294 ] # c*unit_cell:  lattice:  - [     8.579547290000001,     0.000000000000000,    -0.001511860000000 ] # a  - [     0.000000000000000,     8.907968960000000,     0.000000000000000 ] # b  - [    -8.588263970000000,     0.000000000000000,    12.261335910000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.643050660000000,  0.783470430000000,  0.820050670000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.356949340000000,  0.283470430000000,  0.679949330000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.356949340000000,  0.216529570000000,  0.179949330000000 ]    mass: 6.941000    reduced_to: 3  - symbol: Li # 4    coordinates: [  0.643050660000000,  0.716529570000000,  0.320050670000000 ]    mass: 6.941000    reduced_to: 4  - symbol: Li # 5    coordinates: [  0.413202250000000,  0.010366770000000,  0.848324360000000 ]    mass: 6.941000    reduced_to: 5  - symbol: Li # 6    coordinates: [  0.586797750000000,  0.510366770000000,  0.651675640000000 ]    mass: 6.941000    reduced_to: 6  - symbol: Li # 7    coordinates: [  0.586797750000000,  0.989633230000000,  0.151675640000000 ]    mass: 6.941000    reduced_to: 7  - symbol: Li # 8    coordinates: [  0.413202250000000,  0.489633230000000,  0.348324360000000 ]    mass: 6.941000    reduced_to: 8  - symbol: Li # 9    coordinates: [  0.231648720000000,  0.084361730000000,  0.315604610000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 10    coordinates: [  0.768351280000000,  0.584361730000000,  0.184395390000000 ]    mass: 6.941000    reduced_to: 10  - symbol: Li # 11    coordinates: [  0.768351280000000,  0.915638270000000,  0.684395390000000 ]    mass: 6.941000    reduced_to: 11  - symbol: Li # 12    coordinates: [  0.231648720000000,  0.415638270000000,  0.815604610000000 ]    mass: 6.941000    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.066615990000000,  0.206977730000000,  0.183766470000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.933384010000000,  0.706977730000000,  0.316233530000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.933384010000000,  0.793022270000000,  0.816233530000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.066615990000000,  0.293022270000000,  0.683766470000000 ]    mass: 15.999400    reduced_to: 16  - 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