# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/76109aa6-309b-4dc7-97a4-6b228e78dd6a/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 Pr2Se3 / I-42d (122) / materials id 32689](https://mdr.nims.go.jp/datasets/d7f8ef58-b81a-416e-afb6-7ca6f182fb31) ## Fulltext elements: [Pr, Se]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: [140.9, 78.96]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-2.551686619772301e+05, 1.973225348135463e+02, -7.663889271902046e+01, 0.000000000000000e+00, 0.000000000000000e+00, -1.596102794487377e+05, 9.433880031267421e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.434446907893854e+06, 1.363921295017550e+08, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.662853189011096e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.976657890706768e+05, 1.689626912641944e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.194596778415296e+06, 4.848399408122032e+07, 0.000000000000000e+00, 0.000000000000000e+00, 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