# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/81390156-c5d4-4ec0-b794-e0f34ffce768/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 La2Se2O / Pnma (62) / materials id 752418](https://mdr.nims.go.jp/datasets/186f3ad2-72a9-47fe-bcd0-388e7d800a31) ## Fulltext elements: [La, Se, 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: [138.9, 78.96, 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: [2.979588158732944e+03, 3.182407598831252e+01, -1.253817730254246e+00, -8.682323505213360e+01, 7.744957182217598e+01, 5.072755991445351e+00, 0.000000000000000e+00, 0.000000000000000e+00, 8.933973546694929e+05, 9.727449280792096e+04, 6.738637183831741e+03, 8.706219202313249e+07, 1.911116601137484e+06, -2.164257375497335e+02, 2.159812022477915e+05, 1.014798119219966e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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