# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b4176b90-01b7-4c7a-9a8f-72e4e47469ad/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 Na6PbO5 / Cmcm (63) / materials id 557401](https://mdr.nims.go.jp/datasets/4f5e52c6-4b4a-4d1e-9ce4-54e02ac3e0fa) ## Fulltext elements: [Na, Pb, 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, 207.2, 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: [2.054291574262292e+00, 3.240316873780525e+01, 4.888760691418045e-01, 0.000000000000000e+00, 3.129623345394652e-01, -3.364292798799502e-01, 4.066778513843075e+01, 8.317491023963294e+04, 4.642641634639824e+02, 9.314109526940075e+05, -6.824185450829625e+04, 0.000000000000000e+00, 6.560313151022850e+03, 7.998875041337352e+01, -1.311718032302940e+02, 7.257081694976614e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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