# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9a7e05bd-61e2-48aa-8a1b-8747edffb4ba/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 BaMgF4 / Cmc2_1 (36) / materials id 14568](https://mdr.nims.go.jp/datasets/4a740a03-0aa9-4882-9a75-aaf35414edee) ## Fulltext elements: [F, Mg, Ba]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, 24.31, 137.3]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: [7.010760043442475e+00, -1.158912014968497e-01, 4.654373229441296e+00, 1.315388960371305e+03, 1.990623470811473e+02, 1.156769082662572e+05, -1.211899046274796e+03, 6.781806236923010e+02, 1.091931127933421e+04, 4.010150001670780e+00, -1.296900765251791e+03, -9.967399202604829e+04, 4.050996621251709e+04, -1.489544433238517e+03, -2.695950919447651e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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