# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e4968266-2e28-453b-8608-4866fef132ef/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 BaY2O4 / Pnma (62) / materials id 3952](https://mdr.nims.go.jp/datasets/c02c1278-4b9d-44f6-a9b6-80cda4ccde67) ## Fulltext elements: [O, Y, Ba]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, 88.91, 137.3]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: [2.120369533861820e+01, 1.024466970379968e-02, 5.840377459384463e+00, 1.549230828764057e+02, 1.354270856366669e+02, -3.941047246121051e+02, -5.244292690934116e+04, 1.777803681186270e+04, -1.417130732553391e+05, -1.990919035067882e+02, -4.934582129906995e+03, 3.728378522506930e+04, -2.150347130483285e+05, -1.949581396024839e+04, 6.302108955610233e+05, 9.562946135904510e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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