# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/73adef60-f37d-4a2c-87b4-344ac6bb27a1/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 K3SbS4 / Cmc2_1 (36) / materials id 9781](https://mdr.nims.go.jp/datasets/e4e4376a-db7f-4574-a46e-dcee07f487b8) ## Fulltext elements: [S, K, 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, 39.1, 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: [2.554309388531083e+03, 2.298123312988205e+01, 3.513464404552044e-01, 1.648035380716414e+02, 2.116148700195693e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.382671138810356e+06, 5.098896152121222e+05, 1.553988471070916e+04, 0.000000000000000e+00, 0.000000000000000e+00, 2.251988137592904e+02, -2.026912014430266e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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