# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/86637fd1-b3c0-4663-b46d-f3382b6a2351/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 Li2Si2O5 / Pbcn (60) / materials id 3552](https://mdr.nims.go.jp/datasets/56662a3f-f43b-4f93-b221-7f795c464213) ## Fulltext elements: [Li, O, Si]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: [6.941, 16.0, 28.09]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: [3.626100298058397e+00, 1.598075122023740e-01, 4.982125702826808e+01, 1.595968638107930e+01, -9.124366395719413e-01, 2.543642389226099e+01, -8.704249775248963e+03, 9.757702109520342e+02, 1.835349350725157e+04, 1.980380067183662e+00, 4.239832814189024e+03, 2.385900012499423e+03, -3.662185051444251e+01, -2.967601040315620e+05, 1.059679723836328e+03, 6.655052310690933e+05, 1.917693176052928e+03, 1.331465138629490e+03, 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