# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2bacdecc-a15c-4565-a25f-724bf48ef968/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 Al(HO)3 / P2_1/c (14) / materials id 27540](https://mdr.nims.go.jp/datasets/4063abcc-daa3-4b84-b906-1c223873b9e8) ## Fulltext elements: [H, O, Al]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: [1.008, 16.0, 26.98]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: [1.645910509136582e-01, -1.470560306155185e+00, -2.593911389895792e-01, 2.134864608670487e+00, 9.916952039407421e-02, 4.787696645975787e+01, -2.813755120243866e+01, -3.234481053589325e+01, -2.044767476807306e+01, -8.227217666719881e+00, -1.518526181566223e+01, 4.658159114855388e+01, -3.422631567255441e+01, 1.052914803176513e+03, -1.131905494934531e+02, -2.825785413873193e+04, 2.393825338032717e+03, 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