# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/17d65976-f457-48a6-a2a6-5ad8cb64f620/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 LiErO2 / I4_1/amd (141) / materials id 10971](https://mdr.nims.go.jp/datasets/5bd6588a-86dc-478e-8072-c77bc60ed9c2) ## Fulltext elements: [Li, O, Er]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, 167.3]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: [3.168533148805297e+00, -1.606558266382707e-01, 2.943428196122650e+01, 3.720533962978112e+00, 3.766602138882960e-01, 1.383479655829130e+02, 0.000000000000000e+00, -1.725797395225899e+03, 0.000000000000000e+00, 1.507435638194808e+01, -1.506034594760052e+03, 1.425347407720926e+02, -1.123962847161075e+02, -1.452496846046280e+05, 3.171457913371741e+03, 0.000000000000000e+00, 6.501786652091016e+03, 7.671176995097649e+02, 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