# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cf89a7fa-b055-4f97-a558-b854a3c9a74c/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 Sr(BO2)2 / Pbcn (60) / materials id 9749](https://mdr.nims.go.jp/datasets/beda85a2-afe7-4424-8bbf-e2f776421c32) ## Fulltext elements: [B, O, Sr]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, 16.0, 87.62]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: [3.270814227705824e+00, -2.265693445235495e-01, 3.778179269881928e+01, 2.700339321811974e+00, 1.465841258156858e+00, -2.244203398361301e+03, 4.193041805022891e+02, 1.130645650051382e+02, 2.890831712706975e+05, 3.766968276666918e-01, -4.941329819759879e+02, 2.325042701478744e+01, 1.077637824337318e+02, 5.563184623190446e+05, 3.906507862045341e+04, 0.000000000000000e+00, 2.163218006095535e+02, 2.713138618694539e+03, 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