# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ac6ecf0f-84a9-42f9-8741-6259f7fa7d8a/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 Li3ScF6 / P-3c1 (165) / materials id 560890](https://mdr.nims.go.jp/datasets/8e58ab69-15dc-477e-8e6d-454e3a83492d) ## Fulltext elements: [Li, Sc, F]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: [6.941, 44.96, 19.0]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: [8.378201172469139e-01, 3.559327616672106e+00, 2.686213989772370e-03, 0.000000000000000e+00, 5.440856423234321e-02, 9.955173396019055e-01, 7.987577115257309e+02, 1.004753330503258e+04, -3.173988761643448e+01, 7.619870994101139e+04, -4.299105837497336e+02, 0.000000000000000e+00, 3.158801963174954e+02, 1.461807348724813e+00, -1.354038923897654e+01, -3.617009669870986e+01, 0.000000000000000e+00, 0.000000000000000e+00, 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