# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/33fda967-28fb-436f-8b18-1a9be1f4acc2/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 Rb2MgO2 / P2_1/c (14) / materials id 778256](https://mdr.nims.go.jp/datasets/d8fdb6a1-7f58-4725-895f-d9a593a66f38) ## Fulltext elements: [Rb, Mg, 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, 24.31, 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: [2.704122136064511e+02, 4.782673172860973e+01, 1.812215490508853e+00, 2.962032672863187e+00, 5.858770082593065e-02, 7.975798646381265e+00, 0.000000000000000e+00, 0.000000000000000e+00, -6.732208391140581e+05, 0.000000000000000e+00, 1.063412097652899e+06, -5.291600581946754e+04, 2.540900470255205e+03, -1.959460401013377e+04, 5.994489954666155e+02, -5.219150165888757e+04, 2.255421053030083e+03, 2.373206339828734e+01, 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