# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d821119b-feab-4285-b32c-6797da1c1cd3/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 Ba(SbO3)2 / P-31m (162) / materials id 9127](https://mdr.nims.go.jp/datasets/00e0484f-1b50-42ac-b0dc-094838fcc0c4) ## Fulltext elements: [O, Sb, Ba]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, 121.8, 137.3]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: [7.101370181894123e-01, 6.732696704260931e-02, 1.241042956034898e+00, 1.528017765814164e+01, 3.529329432890358e+04, 0.000000000000000e+00, 3.246505356467087e+03, 1.031695820859957e+02, 4.663161569950212e+04, 6.329835896016283e+00, -3.847688146889661e+01, 4.810397945224664e+03, 0.000000000000000e+00, -1.054209425934978e+03, 0.000000000000000e+00, 0.000000000000000e+00, 8.414999543293566e+05, 0.000000000000000e+00, 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