# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/46192620-13f6-40a6-a545-f206054d1eee/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 PdSeO3 / P2_1/m (11) / materials id 545482](https://mdr.nims.go.jp/datasets/1cf553e1-2397-4b6e-80df-091ce12aeab0) ## Fulltext elements: [Se, O, Pd]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: [78.96, 16.0, 106.4]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: [-1.579107928377741e+03, -1.293878958434296e-01, 2.285448291677640e+00, 5.065907640217710e+00, 6.510611520230407e-03, 1.439360288711883e+02, 0.000000000000000e+00, -1.232599362056101e+06, 0.000000000000000e+00, 1.074914396784218e+01, 6.677651806887105e+03, -1.371262101278860e+01, -8.626079986380347e+00, -3.768462681389745e+06, -2.337704757247926e+03, 1.015070128107901e+06, -4.681816103785580e+03, 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