# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c4e917f3-f409-4221-a5cc-674351030d95/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 TlPt2Se3 / P-3m1 (164) / materials id 541487](https://mdr.nims.go.jp/datasets/1f4a403f-7ef2-4ea5-9026-1b6a2596b204) ## Fulltext elements: [Tl, Pt, Se]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: [204.4, 195.1, 78.96]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: [-2.398019211934897e+05, 1.174498939846041e-01, 1.988057322394439e+00, -4.152136719840011e+02, 4.040274258270365e-01, 3.708484774163736e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.242648475779514e+03, 4.330058142863381e+04, 0.000000000000000e+00, 1.643141781129917e+03, 6.148151281438608e+04, 7.616602158943942e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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