# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f59bfbd0-1ea7-4bb8-9c01-509be1c25d40/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 NaPrO2 / I4_1/amd (141) / materials id 8470](https://mdr.nims.go.jp/datasets/97f5daf9-925b-4129-ad99-92986df13853) ## Fulltext elements: [O, Na, Pr]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, 140.9]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: [7.911725348087650e+00, -7.037607837800323e-03, 2.357961967704133e-01, 2.080366286133501e+02, 1.469509723145527e+02, 2.868491449374695e+02, -4.744668648884736e+04, -4.193737670600790e+03, 5.786751948504548e+03, 1.960787556478718e+01, -1.089918341953847e+02, 1.007016014911354e+05, 1.579678624091416e+03, 1.253728420524913e+02, -9.332287407173582e+03, 3.493240783070120e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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