# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4108b9e4-4344-4fd7-adfb-3a9c6518a18a/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 Th2SN2 / P-3m1 (164) / materials id 7769](https://mdr.nims.go.jp/datasets/ac7fb734-c43a-4b1d-b783-05d62be3d919) ## Fulltext elements: [N, S, Th]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: [14.01, 32.07, 232.0]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: [3.628366854185686e+00, 2.435024484594400e+01, 2.581912580969159e-01, 4.218268009747881e+03, 4.702482084243612e+00, 5.771529876508514e+02, -6.293546039219076e+03, -5.706404238541153e+05, 1.788752782161312e+03, 0.000000000000000e+00, 6.057025412780245e+04, 0.000000000000000e+00, 5.144110208224102e+05, 1.941468270541640e+02, 1.539497396730260e+04, 5.203055225732076e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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