# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ad4e3f80-a049-4271-991c-6dafe46bcc55/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 Cd(GaO2)2 / Fd-3m (227) / materials id 3443](https://mdr.nims.go.jp/datasets/e531fe21-6fe1-4f26-83bc-ff434682e48d) ## Fulltext elements: [O, Ga, Cd]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: [16.0, 69.72, 112.4]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: [1.791890077863576e-01, 9.103999303415546e-03, 6.894579271997434e-02, 9.604792884680654e+00, 3.285507749889081e+01, 5.175809712005637e+02, 1.073140298919229e+02, 6.375077488558310e+00, 4.873972622963543e+01, 6.019586888734703e-01, -3.748639458581235e+00, 1.220749230796844e+01, 4.048064220557821e+03, 1.239986316515715e+01, 4.694763582699021e+03, 6.883831961645748e+03, 1.068570360613867e+04, 0.000000000000000e+00, 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