# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/19452177-3390-482a-a170-0d5cb7851dce/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 LaCoN3 / C2/m (12) / materials id 989643](https://mdr.nims.go.jp/datasets/6fdc56f0-dbb4-4d6e-b1b4-c2ba4d4f3d23) ## Fulltext elements: [La, Co, 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: [138.9, 58.93, 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: [1.908231722423885e+03, 1.166455394808929e+02, 1.511420530474375e+00, 1.007525566648892e+00, -1.961936911392833e-01, -2.337049300635422e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.356577934729733e+06, -4.527077769022058e+06, -4.809172003814518e+04, -6.439007394087171e+04, -4.255497290834272e+03, -2.006820787128497e+02, -4.861418664451010e+02, 2.734530449237323e+01, 1.424350506826813e+02, 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