# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d2e540e0-7d80-4839-aeea-160eb92b62ce/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 Na6Ge2S7 / C2/c (15) / materials id 27752](https://mdr.nims.go.jp/datasets/6b28b73e-804a-4437-aae0-8c20c8e6abfc) ## Fulltext elements: [Ge, S, Na]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: [72.61, 32.07, 22.99]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: [1.095102044892860e+03, -1.823004176189699e-01, 5.463498643493973e+01, -2.798660336415237e+01, 1.176897100943883e+01, 4.746237208474084e+02, 0.000000000000000e+00, 2.344053063347289e+05, 0.000000000000000e+00, 1.263907679825976e+02, 1.496147266374668e+04, 4.208158508730498e+05, -5.060604601939598e+03, 0.000000000000000e+00, 4.089522643459518e+05, 0.000000000000000e+00, 0.000000000000000e+00, -2.399998811875201e+06, 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