# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/38ae6f44-67ac-472f-bcf0-82df897d03a2/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 Tl2B2Se7 / C2/c (15) / materials id 16183](https://mdr.nims.go.jp/datasets/8a53408a-e18a-4e15-b754-a111adcd0b56) ## Fulltext elements: [B, Se, Tl]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: [10.81, 78.96, 204.4]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: [1.356773126990029e+01, 2.280395468096111e-01, 8.575299881919283e+01, -3.429591522286756e-01, 3.651652488026817e+01, 6.660363765897782e+04, -1.668044254512319e+06, 9.964009748775947e+03, 0.000000000000000e+00, 9.280248654896440e+00, -1.093976032020304e+05, -5.936674600363884e+02, -1.360633185189537e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.901908718917707e+03, -2.902424403054641e+05, 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