# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d0882ad4-e512-4279-9d93-dd988d8b453e/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 NdInO3 / Pnma (62) / materials id 755138](https://mdr.nims.go.jp/datasets/dd3db74b-7f5c-4e01-bc49-1cd75b729325) ## Fulltext elements: [Nd, In, 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, 114.8, 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: [2.975934192257554e+03, 4.859950594127331e+01, 2.819936816270854e-01, 8.575009161074986e+03, 9.732369961348147e-02, 1.801438961446236e+01, 0.000000000000000e+00, 0.000000000000000e+00, -3.968690000232149e+06, 1.274780778722907e+06, 7.889144075487449e+04, 0.000000000000000e+00, -9.026303182976213e+03, 2.014606574415422e+02, -6.622447730780024e+02, 4.534524952963922e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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