# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d3415023-bd6a-4bce-981e-8678050d26d8/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 Sr2CdAs2 / Cmc2_1 (36) / materials id 867203](https://mdr.nims.go.jp/datasets/476cb1fa-d4b6-46dc-9cdc-e5e4cf6957c0) ## Fulltext elements: [Sr, Cd, 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: [87.62, 112.4, 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: [1.953007805440204e+03, 4.899107551124528e+01, 2.103127638513413e+01, 5.703377074659541e+05, 2.023825566247434e+00, -1.350187722302316e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.047576877675484e+06, 8.244261036724228e+05, 0.000000000000000e+00, -1.599963587798746e+05, 3.804881229553732e+04, -3.859956451094887e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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