# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b92af201-acc9-4230-8a56-2efcf9f2b31c/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 Li2CN2 / I4/mmm (139) / materials id 9610](https://mdr.nims.go.jp/datasets/266c4343-b564-4079-9010-97ff75ba252c) ## Fulltext elements: [Li, C, N]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, 12.01, 14.01]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: [6.119563172731213e-01, -7.836562163944579e+00, 2.900460846157359e-02, 3.466882890481274e+02, 4.023867163139523e-03, -7.636084958819049e-02, 3.800975193018264e+02, 1.126890850798571e+03, 1.355853907385238e+01, 1.836100546215041e+04, 1.698530092856307e+02, 0.000000000000000e+00, -2.138903581452891e+00, 1.402248943272379e+00, -5.682778101242752e+00, -2.848528533268861e+01, 0.000000000000000e+00, -1.326068160606261e+04, 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