# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e3ad2278-972e-4e70-bd60-53724d0c15a9/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 SrSc2O4 / Pnma (62) / materials id 770771](https://mdr.nims.go.jp/datasets/ead29f7f-c641-433a-a1d6-3ea7c363018a) ## Fulltext elements: [Sr, 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: [87.62, 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: 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: [1.357755917823560e+02, 9.191331376821495e+01, 8.210818524584902e-02, 5.405959076635029e+01, 1.156803705313375e-01, 8.874073949995511e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.852117368843596e+05, -5.036772884250867e+06, -7.336326406980857e+03, 1.844907456409297e+06, 1.017170201648358e+04, 6.320777802236171e+01, -7.464118365485349e+02, 1.129786089092227e+03, 7.815750366945145e+03, -4.507073664301164e+02, 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