# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/da1aca8a-1bbc-4c8a-b550-43cae1efcf77/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 K4SnO3 / Pbca (61) / materials id 14988](https://mdr.nims.go.jp/datasets/37433000-aff9-44e0-b7c1-1da8fdab73de) ## Fulltext elements: [O, K, Sn]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: [16.0, 39.1, 118.7]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: [1.845015215193664e+01, -3.739090700222356e+00, 8.521605508041282e-03, 3.688861980677810e+01, 4.036486852120457e+02, 0.000000000000000e+00, 2.148739639129787e+06, 1.681404016242525e+05, 2.878840657449426e+03, -2.256527806396496e+03, -1.774995160442570e+03, 5.240724435351754e+04, -5.827048544357376e+05, 2.168029026259885e+01, 7.030203872408280e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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