# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e7c684b4-477b-4591-b97d-b1ed13d2d346/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 K2BeO2 / P2_1/c (14) / materials id 27915](https://mdr.nims.go.jp/datasets/69281b6e-fc94-4bd6-9dd3-5fb8b47bae90) ## Fulltext elements: [Be, O, K]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: [9.012, 16.0, 39.1]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: [3.329895016940949e-01, -8.034324344214770e-02, 2.369347008842769e+01, 2.010414927232101e+00, 4.311396772121802e-01, -9.752216087425714e-01, 1.505796175600570e+01, -2.727839890694017e+00, -4.384458360855768e+03, 1.052792215875105e+00, 1.337606726105523e+01, 3.794185546723884e+01, -2.074439206332800e+02, 4.568560344362190e+04, 6.207301616118666e+04, -1.440888864916348e+06, 4.423702679923446e+02, 1.311000909817664e+04, 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