# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ae3f4669-00ab-43c8-aff7-5427b0fe77d8/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 Na2Si2O5 / Pna2_1 (33) / materials id 554383](https://mdr.nims.go.jp/datasets/4f5d295e-6dfc-421f-98b2-1b8ebb518f2c) ## Fulltext elements: [Na, 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: [22.99, 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: [-6.880958417922002e+01, 3.332574909177881e+01, 8.501940307195631e-01, 5.925667945541512e+01, -1.004746966049232e+00, 9.767049855250539e+00, 4.246650532272015e+06, 1.454484409259600e+07, -6.894056140361553e+04, -1.371497962519242e+05, -5.385207955323676e+04, 1.074595452660477e+06, -3.411706802632938e+03, -1.415160370835763e+02, -2.514184028461787e+02, 4.126307295639427e+03, -2.630555793984769e+05, 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