# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/56e960c7-6683-491c-a542-ee35861b40ba/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 Y3BrO4 / Cmcm (63) / materials id 560029](https://mdr.nims.go.jp/datasets/7a64a7a6-ea5a-4674-8abb-fe3f62569658) ## Fulltext elements: [Y, Br, 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: [88.91, 79.9, 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: [5.675624281269398e+02, 4.321207047467070e+01, 1.781015404282156e+00, 4.764004957875672e+04, -1.150820576355609e+02, 1.197313240100712e+01, 0.000000000000000e+00, 0.000000000000000e+00, 6.994317736320992e+04, -3.270345183979004e+06, 4.120940338881259e+04, 0.000000000000000e+00, 0.000000000000000e+00, -1.368807542638964e+02, -1.627786745044255e+05, 7.496951264755422e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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