# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/68b37ea4-9e68-4c2b-9a52-b7a03312ac9d/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 Ta2Pt3Se8 / Pbam (55) / materials id 4425](https://mdr.nims.go.jp/datasets/e91b3c78-8165-4fae-a8c7-ee17ecaa3054) ## Fulltext elements: [Se, Ta, Pt]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: [78.96, 180.9, 195.1]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: [-1.084776891336372e+02, 1.585230953550243e+00, 1.299396392994217e+00, -6.713814597756813e+02, -2.046433046218402e+00, -4.828849118431312e+02, -1.251257470038699e+07, -3.071533368390920e+04, -3.684113171874225e+04, 5.285387505986813e+02, -1.555306297308427e+03, 4.437891656946904e+06, 1.679778970704263e+03, 9.312581644570551e+01, 1.483525991743052e+03, -8.887951169030482e+05, 0.000000000000000e+00, 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