# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/95d942e2-73cb-48f7-a5ed-667a56871910/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 SmInO3 / Pnma (62) / materials id 752437](https://mdr.nims.go.jp/datasets/f9f63a42-90da-42a7-9298-42bdd44861fa) ## Fulltext elements: [Sm, In, O]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: [150.4, 114.8, 16.0]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: [2.426837040816557e+03, 3.236175544201787e+01, 1.034900642429466e-01, -1.375674690516162e+04, 9.495617890135033e-02, 1.340384535457421e+01, 0.000000000000000e+00, 0.000000000000000e+00, -5.681252211363529e+05, -1.458428596413414e+06, 1.271437103379006e+05, 0.000000000000000e+00, -1.624170958164630e+04, 1.594661221026826e+02, -6.739074815975707e+02, 3.257296693070051e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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