# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1477bbf5-b84a-4910-bedd-a5d68916957f/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 Nd3SbO7 / Cmcm (63) / materials id 769366](https://mdr.nims.go.jp/datasets/0361864d-621f-4ff9-be26-77687f98e4ea) ## Fulltext elements: [Nd, Sb, 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, 121.8, 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: [1.385604409103766e+02, -2.461318255861169e+02, 2.056312887590483e+00, -8.006908261881187e+03, 2.274039749853128e-02, 2.623239756222020e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.954075731437196e+05, 0.000000000000000e+00, 7.326257522691231e+05, 0.000000000000000e+00, 4.036860075261282e+04, 1.762655403320552e+02, -7.326105838054295e+02, 1.451119838801720e+04, 0.000000000000000e+00, 6.961152212017842e+05, 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