# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d40a0897-b4d3-431b-b0f4-dc5f9a9da99c/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 Tb(BO2)3 / Pbcn (60) / materials id 559434](https://mdr.nims.go.jp/datasets/6053086b-108a-4782-b6b6-fb3ce884b409) ## Fulltext elements: [Tb, B, O]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: [158.9, 10.81, 16.0]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: [-3.130882671437458e+03, 2.264240765493109e+01, 2.097351584670643e-01, 1.130732153088429e+00, -5.074807131845054e-02, 1.755315141695182e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.309603471421376e+06, 6.104462200630416e+04, 9.225011729533068e+04, -2.532754072178526e+01, 8.894942611260876e+01, -1.590357976907165e+01, -4.754078329345010e+02, -9.180875504679491e+02, 5.347666013810131e+01, 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