# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2ecc0869-a177-4d68-a9d6-1274722e25aa/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 Ta2PbO6 / Pnma (62) / materials id 771957](https://mdr.nims.go.jp/datasets/660cc7e4-9e9b-44a3-a9fe-82c181319f50) ## Fulltext elements: [Ta, 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: [180.9, 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: [4.068375923631195e+02, -3.407359006608497e+03, 6.503496507259769e-01, 4.679694212626101e+04, 5.975871178775536e+00, 5.385838355197119e+00, 1.145998321604362e+07, 0.000000000000000e+00, 5.670047816248282e+04, 0.000000000000000e+00, 8.502286827068329e+05, 0.000000000000000e+00, 1.116031651702107e+07, 7.470352247039827e+01, -4.535931303679968e+03, 3.150561719619625e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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