# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/836778bc-7189-4e95-a3c3-4e3dae231cb1/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 KCu3S2 / C2/m (12) / materials id 9868](https://mdr.nims.go.jp/datasets/8e9e3c56-0c83-4d2f-bb81-b69aea56acd2) ## Fulltext elements: [S, K, Cu]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, 39.1, 63.55]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: [1.872364458319840e+03, 3.227433651517416e+01, -3.005258121003671e-01, 8.208389003240870e+02, 8.242700744395987e+01, 2.098331321202692e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.529661339963231e+05, -2.056121809037060e+05, 3.123600430927701e+04, 0.000000000000000e+00, 0.000000000000000e+00, -1.521874121122500e+01, 9.425340486608902e+03, 2.117049312633571e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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