# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/872b98a4-0d47-44ed-bbff-af7974140320/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 SrNd2O4 / Pnma (62) / materials id 755405](https://mdr.nims.go.jp/datasets/fde7ec55-293a-40a8-aaee-ba3cd87f3ca6) ## Fulltext elements: [Sr, Nd, 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: [87.62, 144.2, 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: [-4.227940582912822e+02, 1.089643780676157e+02, -6.915722330349668e-01, 1.046289516168903e+03, 1.782468979891989e+00, 2.647278463697315e+01, 0.000000000000000e+00, 0.000000000000000e+00, 2.157497027849252e+06, 0.000000000000000e+00, 4.935048478705441e+05, 0.000000000000000e+00, -1.441562228312569e+04, 1.553592695501537e+03, 8.860784093856863e+02, 6.431924640104234e+04, 0.000000000000000e+00, -4.220250213382959e+05, 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