# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e468b982-4266-464f-a302-6354a3a9316e/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 CoAsS / P2_13 (198) / materials id 16363](https://mdr.nims.go.jp/datasets/51df5aaf-142c-4ea4-830b-d28f2a8b924a) ## Fulltext elements: [S, Co, As]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, 58.93, 74.92]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: [2.629659690462659e+02, 1.040501632934455e-01, 4.604251087201607e-01, -1.307404394197155e+03, 2.658766234257659e-02, 1.039808921828517e+02, 0.000000000000000e+00, 7.030929628806801e+04, -7.066676476370626e+04, 2.136441348479545e+01, 6.033980804058723e+02, 6.247636402396479e+05, 3.190884785588868e+02, 2.980077623849138e+02, -5.542067116987595e+01, -6.460828561786633e+04, 0.000000000000000e+00, -1.753029143829328e+06, 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