# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2943fa57-8a3e-4686-b441-2b66264e6451/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 Ba3(SnAs2)2 / P2_1/c (14) / materials id 17470](https://mdr.nims.go.jp/datasets/a976e640-3cb1-46f9-8652-1d7ebf6f981f) ## Fulltext elements: [As, Sn, Ba]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: [74.92, 118.7, 137.3]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: [1.197253619824219e+05, 7.777293223254983e+00, 8.949845872529778e+01, 6.277407506208141e+00, 3.833600399787835e+03, 4.005986337771217e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -8.880646831524289e+03, 6.000410241064907e+05, -2.224984020301115e+04, -5.628083957725190e+07, 5.326081063837792e+06, 0.000000000000000e+00, 0.000000000000000e+00, 6.779951473539139e+03, 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