# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0df83bb7-83a6-4378-91a5-fd166852ab00/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 NaMgF3 / Pnma (62) / materials id 2955](https://mdr.nims.go.jp/datasets/93fe6da8-ea25-4239-8cd9-c299b53c9854) ## Fulltext elements: [F, Na, Mg]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, 24.31]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: [3.712587497855099e+00, 1.286296230715566e-01, -1.249621220897229e-02, 1.255808129620034e+02, 2.798235408720529e+00, 9.371730749800652e+02, 1.511662093741939e+02, 4.817806776963087e+02, 1.474824737640191e+02, 4.044071740392162e+01, -7.023557245723905e+00, -9.159631206005854e+04, 1.193833909254988e+03, 3.111633331965055e+00, 1.771534007185208e+02, -4.102871865866702e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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