# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/95a49ce4-5a96-4dfa-9887-aaae8505d469/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 NaNdO2 / I4_1/amd (141) / materials id 8128](https://mdr.nims.go.jp/datasets/42c2d84b-2cf5-4c98-88a7-7a3d527e57f4) ## Fulltext elements: [O, Na, Nd]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, 22.99, 144.2]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: [7.532438741910341e+00, 9.486589291185402e-02, 2.384079786798800e-01, 4.826509873470531e+01, 1.107268068536897e+02, 4.189535448667157e+02, 4.302777854757017e+04, 4.379043019682839e+02, 3.636258888526498e+03, 3.270300678578407e+01, -5.899557814384818e+02, -1.015411844458136e+05, -2.454783712189485e+04, 1.249554001765117e+02, 3.659472498912853e+03, 2.537308616543548e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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