# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/41b50b2a-ef4d-479d-95d1-694b1b78369a/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 Rb2Pd3Se4 / Fddd (70) / materials id 14340](https://mdr.nims.go.jp/datasets/71033da6-75d0-4c2c-b80d-244922fb2f26) ## Fulltext elements: [Se, Rb, Pd]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: [78.96, 85.47, 106.4]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: [1.777635375032909e+00, 1.250132306145939e+02, 2.913989335804098e-01, -3.239819033663470e+03, -1.335163682284039e+01, -6.465547994826562e+01, 0.000000000000000e+00, 0.000000000000000e+00, -3.173435463368160e+03, 0.000000000000000e+00, 1.671768794078123e+05, 0.000000000000000e+00, 0.000000000000000e+00, 2.040980097405796e+02, -1.063881293151404e+05, -2.509567881386281e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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