# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0bce20fb-78ca-43a2-bcda-638f37fe9c9e/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 KNO3 / Pnma (62) / materials id 9475](https://mdr.nims.go.jp/datasets/17855516-c7ee-489d-a7a2-c1db76955704) ## Fulltext elements: [N, O, 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: [14.01, 16.0, 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: [2.027322691617559e+04, -2.348043950966953e-01, 4.116070051496995e+01, 4.370668585967289e-01, -6.129224425428200e-01, -7.980063981420195e+02, 0.000000000000000e+00, -3.722095672776969e+05, 0.000000000000000e+00, -9.398911953111446e-01, 1.335276312983671e+03, -7.791343703872271e-01, -3.811954449766110e+02, 3.187770520340850e+06, 1.869096215103033e+05, 0.000000000000000e+00, 5.810155939889635e+01, 6.256133683180107e+03, 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