# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8b06531c-a4a3-47bc-ae54-35bcfc111c3f/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 P2Ru / Pnnm (58) / materials id 1413](https://mdr.nims.go.jp/datasets/b1e47c6e-ca94-422f-8d42-6eca0e6f016d) ## Fulltext elements: [P, Ru]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: [30.97, 101.1]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [2.665392701090869e-02, 1.211345236209293e+00, 2.800854668039708e-01, 2.705177816832183e+02, 4.227664410257396e+02, 2.846114912787624e+02, -1.921457245685572e+04, 3.943816602961240e+03, 5.089395772147445e+01, -5.502464373233030e+02, 1.877648646270498e+03, 6.181628806891183e+04, -4.507950900997816e+04, 3.990757887337747e+01, -3.838985667169273e+02, 1.241209346416209e+03, 1.658698181522773e+04, 3.131345289388664e+04, 8.212194961784668e+01, 2.407492807070294e+02, -1.941769111224321e+03, -6.620756362983590e+04, -9.865468183613308e+04, -5.124694845698809e+01, 2.727522045816785e+03, -4.944776022177272e+02, 6.274185224789521e+03, -7.289269529105748e+04, 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