# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3c909e6b-3cf3-432f-bf16-20b0e72f22b4/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 Li4SeO5 / C2/c (15) / materials id 4426](https://mdr.nims.go.jp/datasets/855bd2ae-b236-4576-903a-69d83371f960) ## Fulltext elements: [Li, O, Se]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, 78.96]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: [3.311099600681593e+00, 3.410405714210507e-02, -4.399858330186882e-01, 1.533761337160020e+00, -2.010583155781353e-02, 6.772356268531968e+03, -2.620883784964849e+03, 1.371514270020606e+02, 6.127793578834229e+04, 5.012409139035498e+00, -1.230786378861223e+01, -5.664859757486466e+01, -1.993409033512265e+01, -2.113931438946642e+03, 9.256254309828478e+01, 0.000000000000000e+00, 1.036291373731242e+03, 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