# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cd2232c3-6b78-4e7c-9072-c67915e04534/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 Na2Si3O7 / P2_1/c (14) / materials id 556198](https://mdr.nims.go.jp/datasets/8b93ec10-8a11-49ee-a113-3c57f2dd89a3) ## 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: [2.241435372257380e+02, 2.445234884560849e+01, 7.754693338875416e-01, 1.333586924964678e+01, -3.891008282972205e-01, 1.285193443407822e+01, 0.000000000000000e+00, 0.000000000000000e+00, 2.697459922589464e+05, -4.075282017277543e+06, 6.573061325819850e+04, -2.616041824795237e+06, 2.546315239009994e+03, 2.679453091561859e+02, -5.916463997919433e+01, -1.160705674686085e+04, -1.554152261498276e+06, 5.235747130202280e+02, 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