# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bc819a45-bcf8-4e33-bbc5-25e85362c942/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 YCuO2 / P6_3/mmc (194) / materials id 2918](https://mdr.nims.go.jp/datasets/ec8f79c6-c90c-4334-813b-eaf535ef647b) ## Fulltext elements: [O, Cu, Y]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: [16.0, 63.55, 88.91]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: [3.529282254814094e+00, 7.352694108217815e-02, 1.277071716797790e-01, 7.887653732598014e+01, 6.128520593750844e+01, 3.744547163112856e+02, 1.334782721765791e+03, 4.245394396207529e+02, 6.266867558876870e+02, 7.719668653100600e+00, -2.717887216709130e+01, 4.804605682501255e+03, 2.602591113485017e+03, 2.461517048044642e+01, 9.531738043861152e+04, 2.154991130464409e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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