# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ed468de0-32fb-44a5-9c09-67e1461b2b49/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 AcClO / P4/nmm (129) / materials id 30273](https://mdr.nims.go.jp/datasets/5ea3ff11-b3a4-4069-b934-295473acd0ac) ## Fulltext elements: [O, Cl, Ac]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: [16.0, 35.45, 227]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: [9.984129180184457e+00, 1.132958757542361e+01, 7.920932399673405e-02, 7.322789951387571e+01, 1.404983914765568e+01, 1.518266186225659e+03, -9.377883538187068e+04, -1.523758924498779e+05, -1.298614969002640e+03, 1.288753980338192e+06, 3.895520818414453e+03, 0.000000000000000e+00, 1.314847894841085e+06, 6.845929375844514e+01, -4.586173925772695e+04, 5.590066637817296e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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