# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9d603d2f-74f7-4e97-85a7-bb520e97961a/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 Sr3SiO5 / P4/ncc (130) / materials id 5487](https://mdr.nims.go.jp/datasets/07c5af69-e579-4f7b-a64b-ca825d40cec2) ## Fulltext elements: [O, Si, Sr]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, 87.62]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: [3.082281057958858e+00, 4.934120851186849e-03, 1.530697042454318e+00, 0.000000000000000e+00, 1.357513357277186e+02, 7.751051743151726e+02, 2.197068576013692e+03, 8.889008960168007e+01, 9.120579411635123e+03, 1.510716044633904e+00, 5.047505292601588e+02, 0.000000000000000e+00, 6.899514489618159e+02, -2.039939068453735e+02, 5.665998844238882e+04, 1.036651301211294e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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