# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a5099923-8f93-4380-a80d-ae7a518157e7/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 Nd2O3 / Ia-3 (206) / materials id 1045](https://mdr.nims.go.jp/datasets/bd088356-7400-4a5a-b96c-e11a4c2dac50) ## Fulltext elements: [O, 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, 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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-2.626806864329197e+01, 9.107889024082688e+00, 4.435293976560877e+03, -7.050044494554650e+05, -1.148478197260860e+04, -3.724074372351535e+03, 7.937292977687865e+05, 0.000000000000000e+00, 3.223008244306382e+06, 1.801471134911692e+05, 2.552875666547342e+03, -1.036993347088126e+07, 0.000000000000000e+00, 2.019382667390715e+06, 3.001965059002733e+05, 1.603289019990532e+03, -2.081739986315906e+07, 0.000000000000000e+00, -1.623794338426062e+05, 1.503036032386338e+05, 8.240743928136001e+02, -3.330215603582665e+07, 0.000000000000000e+00, 1.570132148825362e+05, 3.335628480231998e+04, 3.028382770023304e+03, 2.536961686931774e+07, 0.000000000000000e+00, 4.488255783316981e+05, 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