# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6d0eef63-68e2-4e89-bb15-db2cf2bf4e1a/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 Sr4PdO6 / R-3c (167) / materials id 29775](https://mdr.nims.go.jp/datasets/add82c4e-e13b-46aa-bdbb-af5a5cb0269c) ## Fulltext elements: [Sr, Pd, O]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: [87.62, 106.4, 16.0]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: [5.586973105721821e+02, 1.150213680383579e+01, 1.663120748362794e+00, 0.000000000000000e+00, 4.299624279345206e-02, 1.753677328081370e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.126436208458769e+05, 1.110568021003754e+05, 5.667688912219783e+03, 0.000000000000000e+00, -4.673852416740423e+02, 3.252268169755991e+02, -1.068714856546424e+02, 1.696739807207418e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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