# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d43d31cc-3d90-40eb-b6a6-b0b86050392a/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 La2CuS4 / P2_1/c (14) / materials id 31273](https://mdr.nims.go.jp/datasets/e521d8ec-d88f-4c09-a28a-f1b14db0e819) ## Fulltext elements: [S, Cu, La]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: [32.07, 63.55, 138.9]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: [1.065372269926519e+00, 3.345581213563512e-01, 2.974965714481023e+01, 1.160404348201217e+02, -3.310033099223292e+01, 6.427826278137622e+03, 3.595158433391810e+01, 3.688491126778961e+02, -6.369514280891901e+03, 1.385818333345456e+02, 1.661395353756878e+03, -2.001768717628275e+04, 3.044408132000287e+03, 2.860433934959194e+04, -8.559903517417223e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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