# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d62e20fb-d970-4bb5-bae2-2b7d8514479e/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 La2SeO2 / P-3m1 (164) / materials id 7233](https://mdr.nims.go.jp/datasets/3b947c3f-485a-4876-8c33-46e9b3221e26) ## Fulltext elements: [O, Se, 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: [16.0, 78.96, 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: [2.170996890982194e+00, 3.450126929460675e+01, 2.261042297710223e-01, 9.155771605193235e+03, 6.576822803310285e+00, 7.871896080294151e+02, -3.816632662551574e+03, 0.000000000000000e+00, 1.292913848926758e+03, 0.000000000000000e+00, 2.458933443598708e+05, 0.000000000000000e+00, 4.068107153156553e+06, 1.789964111271537e+02, 2.753007660544018e+04, 2.613864414670904e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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