# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6ef90b53-0b83-4dce-b541-bf57b6b3c70a/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 BiAsO4 / P2_1/c (14) / materials id 27911](https://mdr.nims.go.jp/datasets/59ad8337-6078-4486-a5b9-88e8db2074f5) ## Fulltext elements: [O, As, Bi]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: [16.0, 74.92, 209.0]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: [4.544465917169462e+00, 3.859030125624034e-02, -1.722406010109646e-01, -2.410467017078660e+02, 3.830432919959961e+01, 9.000587403117479e+02, 1.781682366298185e+03, 4.083881261087468e+02, 2.380162459959528e+03, 3.012213048608017e+00, -9.670532703580955e+00, -9.604757643272544e+04, 1.295901898071090e+03, 3.813766128747068e+02, 2.830026014245983e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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