# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c0ca8fbd-a086-42af-8ad6-95697bfd8dd7/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 ThNF / R-3m (166) / materials id 8226](https://mdr.nims.go.jp/datasets/3e042b9c-288c-4306-9721-227ec4980a17) ## Fulltext elements: [N, F, Th]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: [14.01, 19.0, 232.0]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: [1.750640699827290e+00, 9.871134886129023e-01, 1.142925904884177e-01, 3.706116879782985e-01, 2.402517901252341e-01, 3.438944656125821e+02, -3.175415263388007e+03, 2.529472675729148e+04, 2.949844558844442e+02, 5.793289277582185e+02, -4.774044590058109e+01, 9.258399548740150e+03, 2.257061755180407e+03, 8.794545454268746e+01, 1.502502641641226e+03, 9.130019516977962e+03, 3.219074968722871e+02, -2.216747253321768e+02, 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