# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1867e6de-d1ca-45dd-8fa7-a02668907312/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 Nb2SnO6 / C2/c (15) / materials id 3324](https://mdr.nims.go.jp/datasets/1a39c4de-47f1-487c-a8a5-e64d97a631e4) ## Fulltext elements: [O, Nb, Sn]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: [16.0, 92.91, 118.7]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: [1.028959566145917e+01, 3.773419125670970e+00, 2.901997943011881e+00, 4.514635832372980e+02, 2.205717890522365e+03, -1.528060157658817e+03, -5.370004975367383e+04, 1.543646701764557e+03, 2.176559151238175e+04, 4.173156112279013e+01, 5.684913854254570e+02, 2.245453855175904e+05, 1.899215293889557e+06, -1.629418344596214e+02, -3.766940366399743e+06, 2.960498802778308e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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