# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/53af38d4-3757-49b9-bf09-02cdedf87773/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 BaPr2O4 / Pnma (62) / materials id 17412](https://mdr.nims.go.jp/datasets/3b13f32a-5212-44d4-ac37-d4a066b5578b) ## Fulltext elements: [O, Ba, Pr]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, 137.3, 140.9]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: [3.644123598452187e+01, -4.746799819422760e-01, 3.317191838520539e-01, -1.084605282766317e+03, 9.286971386725345e+01, 7.573859704100112e+02, -3.297525159608286e+05, 2.078963018577165e+05, 2.215692381175741e+04, -3.043397552564708e+03, -9.770933667946529e+03, 0.000000000000000e+00, 1.105276090249246e+06, 2.297835346425144e+02, -3.596178764586367e+05, -1.192995438573877e+06, 0.000000000000000e+00, 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