# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8ef8dad0-905e-49b0-9f72-e83f3b4d0892/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 BiOF / Pbca (61) / materials id 759870](https://mdr.nims.go.jp/datasets/fec3c8e9-1e8e-4bb5-9f4b-e4270f340cc3) ## Fulltext elements: [Bi, O, F]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: [209.0, 16.0, 19.0]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: [1.759452303122297e+02, 2.385680588356072e-01, 3.396182596463008e-01, 1.489537427284525e+00, 6.866329571642226e+00, -1.787188654439678e-01, 0.000000000000000e+00, -4.911131130397595e+04, -5.322491829268122e+05, 1.643388610581119e+02, 8.801759038463234e+02, -1.541111167927924e+03, 1.766573221261833e+02, 5.529677504692174e+00, 1.538664161103057e+03, 1.677013111880633e+04, 1.635965825353495e+04, 9.554750079532998e+04, 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