# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/36449f60-d57d-4613-b18a-a9eac7e24290/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 Nd2Ti4O11 / C2/c (15) / materials id 654139](https://mdr.nims.go.jp/datasets/f67a1383-f786-4198-823c-52d0c9e69955) ## Fulltext elements: [Nd, Ti, 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: [144.2, 47.88, 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: [2.635955826390446e+04, 1.065673873556367e+03, 2.052896505396913e+00, 4.929251671938109e+01, -1.440621275638818e-01, 6.785694060047873e+00, 0.000000000000000e+00, 0.000000000000000e+00, -5.266153618818911e+06, 0.000000000000000e+00, 3.729978960903014e+05, 8.604691304149257e+06, 1.384025262866066e+05, 3.477912081260677e+02, -1.180654043029963e+03, 4.267276640745072e+02, -7.102772487216279e+05, -2.789127567788531e+02, 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