# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fe13c793-33ca-492f-8d9e-75db9ce7aed2/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 Sc2Ti2O7 / C2/m (12) / materials id 753802](https://mdr.nims.go.jp/datasets/e22fc3e3-1aa0-4b6a-800a-1337091c43d4) ## Fulltext elements: [Sc, Ti, 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: [44.96, 47.88, 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: [2.581009354444781e+02, 4.668455015501464e+01, 3.520193335680255e-01, 9.173986248077095e+01, 1.176157170126068e-03, 7.403045568154911e+00, 0.000000000000000e+00, 0.000000000000000e+00, 9.611961131427423e+04, 2.827809041232415e+06, 1.229602426959388e+04, -3.881803595239321e+06, 8.149753300410709e+03, 6.174927252622147e+01, 6.035492986815112e+01, 6.448028462408022e+02, -4.102670281667227e+06, 7.979194142024537e+03, 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