# Fileset

[polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4b59583f-5097-44f7-a98d-ab6266f5312e/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

[First-principles lattice thermal conductivity calculation for Na3AlAs2 / Ibam (72) / materials id 8543](https://mdr.nims.go.jp/datasets/3df1f60f-5f32-4981-a171-1b8051066514)

## Fulltext

elements:      [Na, Al, As]cutoff:        8.0pair_type:     gaussianfeature_type:  gtinvmodel_type:    3max_p:         2max_l:         8gtinv_order:   3gtinv_maxl:    [8, 8]gtinv_sym:     [0, 0]gtinv_version: 1electrostatic: 0mass:          [22.99, 26.98, 74.92]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair:      [0, 0]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair:      [0, 1]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair:      [0, 2]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair:      [1, 1]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair:      [1, 2]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair:      [2, 2]  pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full:    1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [1.052507838243959e+01, 1.051327701899589e+01, 8.504300550594825e+00, -4.458985750179052e+00, 1.101760569439099e-01, 3.097886173581005e+03, 3.163422192904886e+06, 0.000000000000000e+00, -6.484631996470301e+05, -2.326757316762353e+06, -5.752710157754566e+04, 2.829196402988227e+06, 2.430551439640859e+04, 3.198107698151499e+04, -1.052099920004327e+04, 0.000000000000000e+00, 1.079554101019654e+06, -5.364865841862474e+04, 1.173370667021101e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.007648531786962e+06, 0.000000000000000e+00, 4.964098825110294e+06, 6.223232915781796e+06, 2.336544284859378e+06, 0.000000000000000e+00, -1.959311184732091e+05, -1.386696005852815e+05, 7.083959798171772e+03, 0.000000000000000e+00, -1.043308894886721e+06, 3.557190307139937e+04, 4.644867835925152e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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