# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b0c3d203-7098-40db-a9e4-837be63778de/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 SmIO / P4/nmm (129) / materials id 754217](https://mdr.nims.go.jp/datasets/8f91ab55-489f-459d-a40c-23cf03fcd1a4) ## Fulltext elements: [Sm, I, 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, 126.9, 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: [2.498537251969038e+02, 1.569624185611988e+01, 1.040372164921371e-01, 1.621355641315436e+04, 1.696608518338001e+01, 3.254265940111278e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.610523135209848e+03, 5.105726373538339e+05, 1.133062369925604e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.937630774307985e+01, 2.606285360131204e+04, -1.093252649136630e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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