# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/aad060e6-da87-4a26-9102-f7cbde8b8604/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 Sc2Si2O7 / C2/m (12) / materials id 5594](https://mdr.nims.go.jp/datasets/b3ec699f-8768-46f0-95ee-1520bbe6b29e) ## Fulltext elements: [O, Si, Sc]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: [16.0, 28.09, 44.96]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: [2.299686293035401e+01, -1.110161128151688e-01, 3.026511226345840e-01, 6.849462198464826e+01, 3.692809152389953e-01, 1.271327898114527e+02, 1.256938576934645e+03, 2.060549667921307e+02, 3.177660793380422e+03, 3.320008441419283e+00, 2.809697135863772e+01, 4.539660463994085e+03, 4.145528713450931e+03, 6.036653295074608e+01, 4.830088276354953e+04, 1.018129252647838e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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