# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1ab84859-714a-465d-98c3-98ac1d983653/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 ScNbO4 / P2/c (13) / materials id 553961](https://mdr.nims.go.jp/datasets/9b7568c8-3c00-4875-a323-fcb717922a4b) ## Fulltext elements: [Sc, Nb, 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: [44.96, 92.91, 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: [8.875415610878910e+01, 2.961041036441390e+03, -8.579260652291303e-03, 3.199458517317074e+02, 3.100510456681222e-01, 4.331968584130823e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.896385664315342e+03, 0.000000000000000e+00, 7.436361360801581e+05, 0.000000000000000e+00, 3.814384556413015e+05, 7.870777016695398e+01, -2.224389321579545e+02, -3.018293323695630e+03, 0.000000000000000e+00, -1.551928230893534e+04, 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