# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3c0558b5-257a-40ee-8060-84b730e50025/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 SmBiO4 / C2/c (15) / materials id 768383](https://mdr.nims.go.jp/datasets/45041e6b-b9cf-4bc2-a054-ce63fc8c9923) ## Fulltext elements: [Sm, Bi, 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: [150.4, 209.0, 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: [3.579600262054098e+03, 1.425912720185514e+03, 8.916223343169130e-01, -1.656099992626436e+02, 2.505998099394972e-01, -3.764131629060463e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.095057928318170e+06, 0.000000000000000e+00, -1.224262436002955e+06, 0.000000000000000e+00, -1.714225529569919e+06, 2.674415870413778e+02, -5.656937426301357e+02, 1.011746596177795e+04, 0.000000000000000e+00, 9.395897477088968e+04, 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