# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b2272fd8-bf17-4087-8bb6-60bab40c7fd0/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 Mg2SnO4 / Fd-3m (227) / materials id 973261](https://mdr.nims.go.jp/datasets/4587ac61-4cfb-4904-9cae-eca502de3a40) ## Fulltext elements: [Mg, 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: [24.31, 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: [1.027028716460353e+01, -8.375625478614708e+00, 9.843804927376847e-03, 5.577984923659632e+02, 5.845887201439031e-02, 3.917707551878794e-01, 2.715623852481134e+04, 0.000000000000000e+00, -4.901716942194462e+01, 0.000000000000000e+00, 5.786785647729995e+02, 0.000000000000000e+00, 1.686916972593730e+03, 6.372914830010131e-01, -9.387082669185467e+00, 2.877190065132698e+01, 0.000000000000000e+00, -5.766108711857990e+04, 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