# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ac09a16b-dff7-494b-9cec-5614ad64260c/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 / Imma (74) / materials id 34022](https://mdr.nims.go.jp/datasets/da6e28e7-4c5b-4ab1-94ee-e8f5badf3d6a) ## Fulltext elements: [Mg, O, Sn]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, 16.0, 118.7]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: [-9.843538635155122e+00, 2.120815456179472e-01, -6.735443054988541e+01, 4.475705038677494e+00, 9.813387762659766e-02, -3.303380779275428e+01, 1.868294479890442e+06, 1.503282911598914e+03, 4.741130340464349e+05, 2.355515452128217e+01, -4.036427813573312e+02, 5.217080738011686e+02, -5.824302160214436e+01, -2.669234405360700e+05, 5.967010750763568e+03, -1.729064121600338e+06, 7.071339061987061e+03, 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