# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/baf1e2b7-3ec2-4ee7-a2f6-8aad2e8e8d7e/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 YWN3 / Cmcm (63) / materials id 989609](https://mdr.nims.go.jp/datasets/1854644e-10f2-43c8-80e4-195df1a5667b) ## Fulltext elements: [Y, W, 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: [88.91, 183.8, 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: [3.009420716765357e+03, 4.603475064583029e+01, 3.936454962089901e-01, -2.859072211201322e+02, -2.083648809691415e-01, 1.476307581719349e+01, 0.000000000000000e+00, 0.000000000000000e+00, 1.674753166055010e+06, -3.428469060243442e+06, 8.394834410044293e+04, 0.000000000000000e+00, 8.885573548146029e+03, 3.435161003309369e+02, -1.796322694717687e+02, 2.306139287506326e+04, 0.000000000000000e+00, -4.240321989665696e+03, 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