# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/13075ad4-f137-4724-859a-dae88a7c4cd6/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 Ca3UO6 / R-3 (148) / materials id 14252](https://mdr.nims.go.jp/datasets/15c3bc6e-7e0d-4c95-b5af-de6be5ebaf48) ## Fulltext elements: [O, Ca, U]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, 40.08, 238.0]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: [2.759328091410195e+00, 1.997028217252848e-01, 8.101327678884401e-02, 3.637704519651102e+02, 3.598543751504121e+01, 0.000000000000000e+00, 9.482932329839432e+02, 2.121991280034767e+03, 2.254434253761423e+02, 1.241784867871961e+02, 2.376214903542286e+00, 1.285042886628434e+05, 5.224680566636291e+04, 1.305294313668340e+01, 6.771706980889676e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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