# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8573612a-df6a-41f7-aca9-045dda4557dc/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 Dy2P4O13 / C2/c (15) / materials id 771306](https://mdr.nims.go.jp/datasets/7a8d339f-b5e5-492d-af91-fed0580f8e95) ## Fulltext elements: [Dy, P, 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: [162.5, 30.97, 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: [3.689994943449195e+03, 1.911701047824322e+01, 8.246259469885521e-02, 2.801713197883492e+00, -4.676274495200057e-02, 2.939064059382817e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.887405963729145e+05, -2.201483641844307e+05, 4.679279714285842e+03, -6.571347024293455e+05, 1.379364214816952e+02, 1.182079067520199e+02, -3.539851284863075e+01, 1.611055508221337e+03, 4.270053704684356e+05, -9.340473559742817e+01, 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