# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b432fa4f-e347-456e-be0c-261df928aca6/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 NaCdF3 / R3c (161) / materials id 4360](https://mdr.nims.go.jp/datasets/d82c8fb9-cbd5-462e-bf7c-4348b1924d56) ## Fulltext elements: [F, Na, Cd]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: [19.0, 22.99, 112.4]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: [4.525886490639435e+00, 1.119739053644430e-01, 3.334852070390858e-01, 1.044731127664694e+04, 7.927918043578155e+00, -4.187484656386840e+03, -9.219869342018135e+03, 1.486831498667921e+03, 1.144773621364127e+03, 3.877660747103970e+01, 5.347119467669277e+02, 0.000000000000000e+00, -2.595136644227874e+03, 6.955318129990113e+01, -1.514718042896767e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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