# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b1afed63-fb29-413d-be8a-567d252eed3c/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 Nb2CdO6 / Pbcn (60) / materials id 781861](https://mdr.nims.go.jp/datasets/b921968a-2830-4eda-85d3-075625be45e9) ## Fulltext elements: [Nb, Cd, 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: [92.91, 112.4, 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: [1.408459375679165e+03, 3.984844009363529e+03, 3.014536825821036e+00, 2.194055234450724e+02, 3.168396385829261e+00, -3.283059927796796e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.696717022983173e+05, 0.000000000000000e+00, -7.830802881923149e+05, 0.000000000000000e+00, 6.382242991360511e+05, 1.128256694575289e+01, -3.269196570202660e+02, 2.002847754158246e+03, 0.000000000000000e+00, 2.124262108098078e+05, 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