# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/86b4455a-53fb-4afb-a3e8-454cff8e725e/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 K6Si2O7 / P2_1/c (14) / materials id 30990](https://mdr.nims.go.jp/datasets/23fdcf61-320c-48e3-994a-3b875cb3bc8b) ## Fulltext elements: [O, Si, K]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, 39.1]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: [3.317493597835795e+00, -5.243063772286042e-02, -3.451721766236855e+00, 1.215638855488750e+02, 7.264871882669114e+01, -1.974351462539497e+02, -5.277434606322730e+02, 1.060799906159943e+01, 2.032536183789507e+04, 2.468744200526521e+00, 8.960357839777071e+02, -1.250058705613693e+03, -2.224686479699078e+03, -3.079319036448508e+03, 8.275329894736386e+04, -4.186021323292443e+05, 0.000000000000000e+00, 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