# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c57503c6-74ae-4ec2-9904-b5ae03e9c29c/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 / C2/m (12) / materials id 5652](https://mdr.nims.go.jp/datasets/7b1722df-88b2-4f1f-bf4f-da78a1c2373c) ## Fulltext elements: [O, Si, Y]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, 88.91]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: [7.786206011690772e+00, -8.346842099816085e-02, 5.157885722985819e-01, 2.378089632252400e+01, 8.641914351054257e+01, 4.423247476046697e+02, 2.563786111743749e+03, 6.380907144198049e+01, 1.302671614645789e+04, 2.231032635744336e+00, 9.630599568667767e+00, 3.442511401173489e+03, 2.165872331478487e+04, 1.594330399252761e+02, 3.346673756309359e+05, 3.140792931343397e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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