# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8444a9d4-66a4-4d06-a936-958c058c928d/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 Li2UO4 / Pnma (62) / materials id 9607](https://mdr.nims.go.jp/datasets/ac5029bb-bb95-49ef-8e4b-a04bcf8d151d) ## Fulltext elements: [Li, O, U]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: [6.941, 16.0, 238.0]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: [1.242088262619722e+01, -1.088807449811343e-01, 2.810133762317937e+00, 5.382864659433864e+00, 4.509332693377278e-01, -1.027444821469006e+04, -2.663345014822758e+04, 1.392891983396537e+02, 3.463459650605381e+05, 5.407472822864668e+00, -1.588524770707278e+03, -9.967526424276264e+02, -1.587093093456455e+01, 5.677232462651982e+05, 1.176720692893810e+04, 0.000000000000000e+00, -1.394389216667181e+04, 1.388067556156013e+03, 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