# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/06b9274b-ad1d-483e-bc42-616ffd8347a2/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 Sc2O3 / R-3c (167) / materials id 755313](https://mdr.nims.go.jp/datasets/7a841fd7-b325-4552-b4ae-881f2b84cf37) ## Fulltext elements: [Sc, 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, 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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [4.952257264827168e+01, 5.008342689889290e+00, 1.206149915275063e+00, 5.287243178394875e+03, -5.904208463688361e+03, -1.375580742722108e+02, 7.621149553651056e+02, 6.729650495555551e+03, -7.161115954247817e+05, -1.675745812631991e+04, 5.979329586704899e+02, -4.128500196128433e+03, -5.813246101099186e+03, 2.810227077316188e+06, 4.673708604538113e+04, 2.354421401456535e+01, 9.295475575421920e+03, -7.920968285737844e+04, 9.449417598907113e+04, -1.428240548593068e+04, -1.068043547786063e+01, 2.178796165473124e+03, -8.119110732479354e+04, 4.340740706266541e+05, 5.230475189891478e+03, -1.006995082774261e+02, 4.612592099256335e+02, -3.803073038353370e+04, 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