# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cf15c05d-d097-4940-83f4-eb5fef0bf8ac/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 Rb3InO3 / P2_1/c (14) / materials id 849527](https://mdr.nims.go.jp/datasets/67cc2a64-2c1f-470b-b5f3-ee1d2df8c6a3) ## 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: [-6.733431608248551e+00, 1.239017019729760e+02, 2.639742407635648e+00, 1.342999514641019e+01, 3.254692497816602e-01, 8.103668567973243e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.810554050893013e+06, 0.000000000000000e+00, -1.332376998266700e+07, 0.000000000000000e+00, 1.267808763508188e+03, -2.123960912124943e+04, 5.814695380906257e+02, -1.669068379617681e+05, -6.908971288827097e+05, 1.165363174271516e+03, 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