# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8a84bd75-f1c7-4df6-a95c-258fbb5060ec/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 Na5InO4 / Pbca (61) / materials id 14493](https://mdr.nims.go.jp/datasets/dffd1f72-c156-408c-a3d0-82de213ab7c8) ## Fulltext elements: [O, Na, In]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, 22.99, 114.8]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: [2.837187393170819e+01, 1.570699606458160e-01, 1.828967605571804e-01, 8.085889905171676e+00, 6.454742477431687e+00, 0.000000000000000e+00, -7.162337805651419e+05, -3.396604307685554e+03, 4.567877313158295e+03, 7.943082230337562e+01, -8.904540926340947e+01, 2.116501903041457e+02, -2.717510027284899e+02, 2.586864925927389e+01, 5.413037863557438e+02, 0.000000000000000e+00, 2.121830466585406e+04, 1.077774147148062e+05, 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