# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a056a3bd-aa02-4648-b013-90da3983a8a3/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 ThSiO4 / P2_1/c (14) / materials id 7651](https://mdr.nims.go.jp/datasets/5434db6e-e4fa-4b11-84cf-b7a749612f21) ## Fulltext elements: [O, Si, Th]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, 232.0]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: [5.236134210855108e+00, -8.209651660325540e-02, 2.356484459803660e+00, 3.644766275542748e+03, 3.077545164874379e+01, 2.581445567832332e+04, -6.807717760297814e+02, 2.791844694076603e+02, 2.243790624208375e+04, 3.340138809383280e+00, 1.057335979922294e+02, -6.237950058728901e+05, 1.439186265473693e+04, -9.527699367765099e+02, 1.510760910080639e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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