# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/69e0a5a7-841f-451b-9bdd-f12fff3606be/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 SmTaO4 / P2_1/c (14) / materials id 770284](https://mdr.nims.go.jp/datasets/7a6a306e-1041-4060-b151-5a1519bcedb0) ## Fulltext elements: [Sm, Ta, 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: [150.4, 180.9, 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: [-6.329909800872914e+03, 3.771583770250620e+02, 1.019560906379870e+00, 2.715970595096611e+03, -2.628387040961453e-01, 1.078016014097317e+01, 0.000000000000000e+00, 0.000000000000000e+00, 2.257004604655138e+06, 0.000000000000000e+00, -2.932037390907235e+05, 0.000000000000000e+00, 6.123935449349793e+04, 5.384035358353524e+02, -3.449097680512288e+02, 5.922817696310971e+03, 0.000000000000000e+00, 3.649088014751552e+05, 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