# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ff362b85-6753-4891-9c89-4a8690fd77f2/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 Cu3SbS3 / P2_12_12_1 (19) / materials id 17691](https://mdr.nims.go.jp/datasets/2c1b5ce8-6976-418e-b607-f7a350435f6d) ## Fulltext elements: [S, Cu, Sb]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, 121.8]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: [1.508051754261000e+02, 1.802750767921900e-01, -1.445087693957742e-01, 8.220056554065047e-02, 2.599408753671304e+01, -3.431484323099161e+03, 0.000000000000000e+00, 2.043335821004578e+05, -7.202593393761255e+05, 1.580850940800543e+02, 2.396953048014398e+02, 1.517875080607858e+03, 6.600546333530682e+03, 6.782295087224373e+02, 5.185137346334333e+04, 0.000000000000000e+00, -1.753426817763190e+03, 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