# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e96d17d4-03d2-4837-b682-7fded811803b/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 Pr4Te3N2 / Pnma (62) / materials id 570623](https://mdr.nims.go.jp/datasets/72039a8f-82f7-4379-b10a-2ea5cdb7a25a) ## Fulltext elements: [Pr, Te, N]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: [140.9, 127.6, 14.01]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: [5.564511970777299e+02, 1.487829793341480e+02, -5.846349940502072e-01, -1.402888884631389e+03, 6.574042492993907e+02, 9.812752767701324e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.049090110080832e+05, -2.010762201703269e+06, 7.119234960379165e+04, 0.000000000000000e+00, 0.000000000000000e+00, 6.577054312480450e+01, -7.670888313592503e+06, 7.697363362884673e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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