# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f7b4cbac-d61e-47f8-b4aa-356bfd2fb4e3/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 LaB5O9 / P2_1/c (14) / materials id 30926](https://mdr.nims.go.jp/datasets/df0b40b8-a641-4f76-92f4-4c1773284991) ## Fulltext elements: [B, O, La]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: [10.81, 16.0, 138.9]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: [5.042241606326135e+00, -1.556021980933024e+00, -1.103220893563842e+02, 6.970467008186085e+00, 4.980990438949245e+00, 7.637413269255557e+06, -5.124724357524006e+03, 3.712234288548279e+02, -8.834875330365336e+05, -2.565302491584822e+00, -5.679158942602659e+03, 3.749782797546245e+02, 1.962386453210020e+03, 1.214150045710558e+07, 1.633181747845168e+05, 0.000000000000000e+00, -6.176937757208914e+02, 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