# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bf541537-1d52-46c9-b223-76759da6626a/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 SmNbO4 / C2/c (15) / materials id 14152](https://mdr.nims.go.jp/datasets/d66667ac-c490-4dd7-bdfc-c9c3ee24f895) ## Fulltext elements: [O, Nb, Sm]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: [16.0, 92.91, 150.4]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: [1.095824495461399e+01, 3.031393037844107e-01, 8.126842765393344e-01, 5.469233899495251e+02, 4.013855752741423e+03, 1.087881026341139e+04, -1.163112184151675e+04, 2.895992577305988e+03, 2.159915257548880e+03, 3.251869114568115e+01, 7.218683537790483e+02, -8.124883288220368e+03, 1.852464423076198e+05, 4.422183125917165e+02, 2.150004831247909e+06, 2.147724801132293e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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