# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8da3d7fa-b354-4329-9682-a12f3e5338c7/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 K3Ga3As4 / Pnna (52) / materials id 567524](https://mdr.nims.go.jp/datasets/3a0dc41b-37ab-47b0-9b17-7749a2668f50) ## Fulltext elements: [K, Ga, As]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: [39.1, 69.72, 74.92]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: [2.774532693118184e+02, 1.565079428902958e+01, 2.187558390293677e+01, 5.086387724394747e+00, 1.038196898949174e+00, -2.686216252103851e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.747267726410229e+04, 0.000000000000000e+00, 1.535926998143591e+05, 1.563292016157206e+04, 6.164994355436049e+05, -2.912106931998329e+03, 0.000000000000000e+00, -1.806756502746736e+04, 6.080923432124407e+00, 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