# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9d7a8edc-9883-4beb-a8ec-35522d358322/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 Sm10S19 / P4_2/n (86) / materials id 10534](https://mdr.nims.go.jp/datasets/bcf55d28-dcdb-4ff4-b54c-b18e6cc5f705) ## Fulltext elements: [S, Sm]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, 150.4]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [1.893120366990972e+01, 2.623505294487206e+02, -4.717098149429040e+03, -9.922636187800337e+02, 5.645317927417097e+03, 2.050111072373569e+05, 0.000000000000000e+00, 0.000000000000000e+00, -2.351807570782555e+03, -9.183810556664979e+04, 1.415910429429769e+06, 0.000000000000000e+00, 0.000000000000000e+00, -1.508248919151842e+03, -8.688801877637421e+04, -1.870607314930585e+05, 0.000000000000000e+00, 0.000000000000000e+00, -9.326265040865222e+02, 5.588396404566993e+04, 1.215649230507539e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.934453202558375e+03, -6.511773510953410e+04, 1.001429843423737e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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