# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dc57aac1-cf80-4717-bb42-c4f7f0e5ebd3/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 Sr2SiO4 / P2_1/c (14) / materials id 18510](https://mdr.nims.go.jp/datasets/1df917e6-1a0c-4709-a4e1-3733da8eaad9) ## 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: [1.854829327210040e+00, -2.136280361193984e-01, -2.963052910597010e-01, 4.814132757197468e+05, 5.694779068153278e+01, 1.662401177467307e+03, -4.136333230217612e+02, 3.317880384667812e+02, 3.369167921494141e+03, 3.657083486260150e+00, -8.860962286691938e+02, 0.000000000000000e+00, 3.285778818123935e+03, -8.400172940623648e+02, 2.032734305520426e+05, 9.693444502542152e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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