# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5e12e180-f87a-4173-a836-48d595e09ebc/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 NaTlO2 / I4_1/amd (141) / materials id 36234](https://mdr.nims.go.jp/datasets/b7581cd6-e1e1-4bc7-8371-8a862bcb708c) ## Fulltext elements: [Na, O, Tl]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: [22.99, 16.0, 204.4]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: [1.687005768283235e+01, 1.255887181464138e-01, 6.555938564793318e+01, 6.725384089888558e+00, 1.236657806910667e-01, 2.257207853295533e+01, 0.000000000000000e+00, -9.223792116565781e+03, 0.000000000000000e+00, 4.034735133059283e+01, 1.157911608329882e+04, 2.612280736742589e+03, -9.116357813934199e+01, 0.000000000000000e+00, 1.119660159318696e+03, 0.000000000000000e+00, -5.004577873921159e+04, -5.504273393208614e+02, 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