# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9d76881b-6fcd-4a77-9483-78a90fcef6e5/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 Rb2In4O7 / P-31m (162) / materials id 27563](https://mdr.nims.go.jp/datasets/22be5eaa-42d4-4e60-a045-f250ccdaec4e) ## Fulltext elements: [Rb, In, 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: [85.47, 114.8, 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: [4.964181200599599e+02, 7.056982202068887e+02, 3.734454130496597e+00, 1.267421894445509e+02, 1.116025207489187e+00, 2.657019687813595e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.132358313819520e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.375498475000981e+05, -1.713715492082726e+04, -6.569965057544234e+03, 1.522823996723815e+05, 0.000000000000000e+00, -2.537070960492205e+04, 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