# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/26a6c834-1393-46a7-8940-9679322c8aa3/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 NbAlO4 / C2/m (12) / materials id 27927](https://mdr.nims.go.jp/datasets/3524626b-211d-4b95-8a90-c7e809e0bfd7) ## Fulltext elements: [O, Al, Nb]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, 26.98, 92.91]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: [9.237985590804257e-01, -9.041833854094857e-01, 1.605088195229873e+00, -1.647171621446015e+00, 1.612513288676839e+02, 1.881929574508713e+02, -5.689917715892011e+02, 4.817859190209487e+02, 4.660709039979655e+03, 2.755102005211062e+01, -3.963729028429569e+01, 4.077970183162131e+03, -9.362405194283932e+03, 3.532808004048468e+01, -5.523664000344370e+04, 7.903193674806925e+04, 4.398843861407111e+05, 2.391658848655292e+06, 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