# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2f1d04b8-66af-460e-b137-2bcdb2e81083/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 IO2 / P2_1/c (14) / materials id 23170](https://mdr.nims.go.jp/datasets/63c56974-baa6-4d05-a807-372b3277221a) ## Fulltext elements: [O, I]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, 126.9]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-1.110591235553709e+01, -3.318218160864595e+00, -3.776815918934460e+03, -1.119582040555790e+05, 1.596690785542185e+04, 1.497891197165292e+02, -2.880306861565033e+06, 0.000000000000000e+00, 3.104607853298404e+04, -2.589832531384746e+04, -6.546970756077652e+02, 8.410573574300164e+06, 0.000000000000000e+00, 2.785731521732977e+04, 1.993115655199132e+04, 7.903918541578554e+02, 6.022119785593634e+06, 0.000000000000000e+00, 3.114254575719251e+05, 7.365280462849259e+03, -3.504003603787240e+02, 1.115251753365538e+07, 0.000000000000000e+00, 3.068811827854141e+04, -1.009972210885689e+04, -8.669241300596846e+01, -5.446206635480251e+06, 0.000000000000000e+00, 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