# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d083c239-c76e-475c-8883-83e321805b9c/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 RbBF4 / Pnma (62) / materials id 3032](https://mdr.nims.go.jp/datasets/78a0996d-a271-4641-b1cb-b6fd11b51b98) ## Fulltext elements: [B, F, Rb]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: [10.81, 19.0, 85.47]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: [1.447752472879817e+04, -7.105315064155557e-02, 3.518674571790338e+01, 5.716695758887678e-01, 3.669666726404981e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.509472624196694e+05, 0.000000000000000e+00, 3.113665639594263e-01, -7.132371202279262e+03, 8.598137405021884e+00, -4.804005705634813e+02, 0.000000000000000e+00, -3.712572173347664e+06, 0.000000000000000e+00, 6.493963284670789e+01, 3.617610643555220e+03, 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