# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/96a09de8-3288-4f65-bd81-8da1180acdae/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 Y2Si2O7 / P2_1/m (11) / materials id 561551](https://mdr.nims.go.jp/datasets/6689475a-b7db-4141-bf68-cdfd2ef2f5ab) ## Fulltext elements: [Y, Si, 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: [88.91, 28.09, 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: [9.018601981765660e+02, 1.376607623577876e+01, 4.961466182819113e-01, -5.191277223060388e+01, -8.881213579320985e-02, 4.570253217231611e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.113825061155742e+06, 1.150708832556911e+06, 2.502445254490203e+04, -3.559902131127838e+06, 1.877550713176630e+02, 1.738142965960368e+02, 5.513224261695240e+01, 8.441700847048580e+03, 0.000000000000000e+00, 1.112876582159354e+03, 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