# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/327a5735-9c41-4d4f-9d4e-cc36220ecaf8/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 La2(SeO3)3 / Pnma (62) / materials id 4350](https://mdr.nims.go.jp/datasets/fb49772d-c5a0-4c7a-8564-94a540e03dee) ## 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: [3.024066150709762e+00, -1.030973077297986e+00, 5.252643438145967e+00, -1.102515407398562e+02, 6.089749199609976e+02, -3.659591348191680e+04, -2.956352521846977e+03, 1.367538797042902e+03, -3.731613101639655e+03, 2.151066107485686e+01, -4.594786808858559e+02, -4.356392116037793e+01, 5.707564817332433e+04, -6.914076401242147e+03, -1.443002783187550e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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