# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9f5967e8-bee0-4a0d-b90e-a15f56986bec/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 Li7IN2 / R3m (160) / materials id 675941](https://mdr.nims.go.jp/datasets/5b0dc3ac-9741-496d-a9d5-5dfac6392d94) ## Fulltext elements: [Li, I, 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, 126.9, 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: [4.168682074314444e-01, 2.070213143642298e+00, 8.806705560301673e-02, -5.932976073689261e+03, 6.916686912343193e+02, 3.454858328221875e+00, 1.217229097491425e+01, 1.306147947480580e+03, -1.268738914253314e+00, -7.246314795968877e+03, 1.584489730030131e+02, 0.000000000000000e+00, 0.000000000000000e+00, 3.131550983015885e+00, 1.232843295952441e+05, 9.617139378080500e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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