# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7552d32c-8980-48ca-a808-4abe9abacaba/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 In2PbS4 / Pnma (62) / materials id 619279](https://mdr.nims.go.jp/datasets/ce141832-5a2b-4fcb-9c68-a8b2173c5d7b) ## Fulltext elements: [In, Pb, S]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: [114.8, 207.2, 32.07]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: [5.046679546852725e+02, 4.486619964482785e+02, 8.834971195690723e-01, -3.292183443816952e+03, 1.038568145026442e+01, -1.289620063498872e+02, 0.000000000000000e+00, 0.000000000000000e+00, -4.574668015202039e+06, 0.000000000000000e+00, -6.925348916485364e+06, 0.000000000000000e+00, 0.000000000000000e+00, -1.365345392033904e+03, -6.091986146327221e+04, 9.932355623709761e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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