# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/58101ccf-3ebd-4bdf-87cb-99ad208f59ca/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 Na2UO4 / Pbam (55) / materials id 554191](https://mdr.nims.go.jp/datasets/6b4f1e8e-747b-412c-852b-4a1ca3ef0217) ## Fulltext elements: [Na, U, 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: [22.99, 238.0, 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: [-1.428989328077987e+00, 2.722173416866188e+02, 1.062805154979585e-01, 8.233019127837670e+02, 2.593502179023077e-01, 2.322789374072461e+00, -4.893012181602453e+04, 0.000000000000000e+00, 1.976846759010228e+03, 0.000000000000000e+00, 1.307978381699485e+05, 0.000000000000000e+00, 5.913682755229383e+04, 3.322765526753716e+02, -2.948941749244662e+01, 2.388420562797198e+03, 0.000000000000000e+00, 1.819708800143614e+05, 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