# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f6154b3a-3ebf-473a-994c-d353d07e0c79/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 Ta2SnO6 / C2/c (15) / materials id 556489](https://mdr.nims.go.jp/datasets/17009a0f-46dd-47fe-a006-792e2003b907) ## Fulltext elements: [Ta, Sn, 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: [180.9, 118.7, 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: [-2.079178926502217e+00, 6.035670998872130e+03, 1.655849946680149e+00, -9.651996715018055e+01, -7.053729016001173e-01, 1.171998308947565e+01, 0.000000000000000e+00, 0.000000000000000e+00, 4.791301986041792e+02, 0.000000000000000e+00, -2.990218322527857e+06, 0.000000000000000e+00, 2.259269179277976e+06, 1.107351680955009e+02, 8.806112921151356e+01, 6.314957310429116e+03, 0.000000000000000e+00, 4.361110443415586e+06, 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