# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/aebf4168-d6fe-4ee4-b280-5fd99e937397/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 Rb3InS3 / C2/m (12) / materials id 22303](https://mdr.nims.go.jp/datasets/79530447-77f8-46fb-a7aa-e672c9afd4ae) ## Fulltext elements: [S, Rb, In]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, 85.47, 114.8]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: [-8.843411643578787e+01, 3.680675221464951e+01, 6.301117424456498e-01, 2.075998597994301e+01, 4.794057122547275e+02, -9.130383313359008e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.885035602715472e+04, -2.219174344181703e+06, -1.141405137113193e+05, 0.000000000000000e+00, 0.000000000000000e+00, 5.789200208279849e+02, -4.336095556591176e+05, -1.655961307025861e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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