# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e140964f-0cc2-43bd-95b3-8b6afe59b4fa/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 Li4UO5 / I4/m (87) / materials id 561623](https://mdr.nims.go.jp/datasets/be8f735f-ea2a-4474-8475-8c935e663be3) ## Fulltext elements: [Li, U, 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: [6.941, 238.0, 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: [3.289990956610016e-01, 3.873324961288350e+00, 1.600380304582459e-02, 0.000000000000000e+00, 7.321024503402085e-02, 1.840733275571147e+00, 5.664056714262026e+02, 1.155819586435196e+03, 1.372105086128413e+01, 1.274908448662721e+04, 3.929545462261949e+02, 0.000000000000000e+00, 9.810567345186230e+01, 9.232852357139275e-01, -5.534074228213811e+00, -1.513794070882535e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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