# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9be67e7f-f999-439f-a89a-2408a3a7d893/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 KMgF3 / Pm-3m (221) / materials id 3448](https://mdr.nims.go.jp/datasets/2e81efb4-36af-4f4e-8c75-f621167cbb62) ## Fulltext elements: [F, Mg, K]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, 39.1]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: [1.276993173077875e+00, 1.073828887426153e-01, 1.880095862859867e-01, -2.917793373043597e+02, 8.149268515134834e+00, 3.822557590172397e+01, 1.013662191464528e+03, 4.088477754633151e+00, 1.299953794252399e+03, 4.054192273912855e+00, -2.069159837336112e+01, -9.877643328944007e+04, -1.303277623186231e+03, 4.328890650690599e+02, 3.334802266055381e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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