# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0fff3a29-a451-42e5-98f6-042d71b6e395/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 BaTm2O4 / Cmcm (63) / materials id 752684](https://mdr.nims.go.jp/datasets/98312b78-3023-412c-bfe4-42b530ba6255) ## Fulltext elements: [Ba, Tm, 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: [137.3, 168.9, 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: [-1.310518352252808e+03, 5.826189746737457e+01, 1.608662475991065e+00, 2.200700116262218e+02, 8.646139284689741e-01, 7.205472774703625e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.295439542060569e+06, 0.000000000000000e+00, 2.355963270768404e+06, 0.000000000000000e+00, -1.015679012968761e+05, -1.623844454072183e+04, -4.469521168749057e+03, 1.605153492054448e+05, 0.000000000000000e+00, 1.256550902875013e+05, 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