# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e4a65341-3d4c-4871-a94b-5a6d66b329c0/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 SrNb2O6 / P2_1/c (14) / materials id 4591](https://mdr.nims.go.jp/datasets/430feb86-b73e-4191-9628-afa73e4a2246) ## Fulltext elements: [O, Sr, 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, 87.62, 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: [1.188421476530740e+01, 6.238875142022743e-01, 8.003209089022065e-01, -8.118981424070431e+04, 1.753187702068017e+03, 3.865699421030688e+01, 1.907486253525183e+04, 2.411893896449321e+03, -5.376133687174606e+03, 1.688754009345547e+03, -1.338188764897142e+03, 0.000000000000000e+00, 2.971782713760562e+06, 5.945423179686485e+01, 1.691139069334895e+05, -1.647788118166689e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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