# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a0a7ea47-6d07-4cc6-8074-cba4b70ac56e/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 LiSbO3 / C2/m (12) / materials id 770932](https://mdr.nims.go.jp/datasets/10f5db92-f258-453d-85ae-d5f3865fb431) ## Fulltext elements: [Li, Sb, 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, 121.8, 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: [-4.646049596014411e-02, -1.514215102176851e+02, 7.963463091897104e-02, 1.632375571605186e+01, 6.746111039449059e-03, 3.429830165428414e-01, 3.055120659201823e+03, 7.242529774896695e+05, 5.518122138338924e+01, 0.000000000000000e+00, 4.436641310035254e+04, 0.000000000000000e+00, -2.851884664647274e+03, 6.050660549131123e+00, -4.057031319565385e+01, 1.067113222002671e+03, -1.486884212471220e+06, 8.167021918237252e+03, 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