# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/021dcbf0-2742-4544-a6e8-d95149a41917/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 CsNdO2 / P6_3/mmc (194) / materials id 553308](https://mdr.nims.go.jp/datasets/eef8f782-b621-4bda-a21c-4a8b465304df) ## Fulltext elements: [O, Nd, Cs]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, 144.2, 132.9]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: [6.306100127811467e+00, 1.133719300412337e-01, 7.563001821241196e+00, 1.549452022324740e+03, -1.728050919690203e+04, 9.886734853893745e+02, -1.926911580784858e+03, 8.446649710555673e+02, 6.207161673872389e+05, 2.667678860286570e+01, 1.998035717103476e+04, 1.061670715764979e+06, 0.000000000000000e+00, 8.144037900036361e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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