# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/127390da-ba86-41fe-9299-0067efc29c98/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 Li7VN4 / P4_2/nmc (137) / materials id 582259](https://mdr.nims.go.jp/datasets/c6f7c35d-69e7-4232-80fa-928cf1e49a9d) ## Fulltext elements: [Li, V, 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, 50.94, 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: [2.213457019774374e-01, 1.583417162937208e-01, 8.526041943258610e-02, 0.000000000000000e+00, 1.838889892683972e-02, 1.966250338903101e+00, 1.594348415105940e+01, -1.189515520467208e+02, -3.980448615662210e+00, 4.795755814636000e+01, -2.864487030824423e+01, 0.000000000000000e+00, -1.454945810552259e+00, 3.461497271930694e+00, -5.390584112722919e+00, -4.524345163322843e+01, 0.000000000000000e+00, 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