# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3f305dbb-f94d-4d42-b951-a155e4ade5b1/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 K2SiAs2 / Ibam (72) / materials id 6984](https://mdr.nims.go.jp/datasets/ac8104e6-949a-4ca0-bbcc-e3b60579f28e) ## Fulltext elements: [Si, K, 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: [28.09, 39.1, 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: [5.656479128864382e+01, 1.599890114790795e+01, 2.552023982690347e-01, 4.415544591116468e+02, 1.012473251172345e+02, -3.826031370861747e+01, 0.000000000000000e+00, 0.000000000000000e+00, 3.088690862300780e+04, 0.000000000000000e+00, -1.743908106267441e+04, 0.000000000000000e+00, 0.000000000000000e+00, 4.706698898428959e+01, 1.441939919956118e+05, 4.368352511428041e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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