# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/139f517e-f50d-498a-8f3b-786c8351827c/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 K3LiSi4 / Pnma (62) / materials id 28316](https://mdr.nims.go.jp/datasets/36975eaf-d7eb-4f34-9df4-65ec09d5abfa) ## Fulltext elements: [Li, Si, K]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: [6.941, 28.09, 39.1]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: [0.000000000000000e+00, 5.186959421461554e-01, -1.047661271251113e+02, 1.152826738702559e+00, 2.476836772060839e+02, 5.751931693946913e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.481043030074532e+03, -1.489803589407308e+06, -6.002640861780135e+02, -9.173260129524907e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.630249575262248e+01, -1.109433743098301e+05, 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