# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d39ea7ac-0116-4fff-9d8c-9dd212a41119/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 Th2TeN2 / I4/mmm (139) / materials id 7523](https://mdr.nims.go.jp/datasets/b866e365-0e77-4308-805a-395f209950e5) ## Fulltext elements: [N, Te, Th]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: [14.01, 127.6, 232.0]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: [5.543428127288746e+00, 5.260805552120814e+01, 9.446923683080936e-02, 5.579960284056938e+03, 1.657978129143971e+01, 2.515783465571152e+02, -9.262468867540503e+02, 0.000000000000000e+00, -5.623627544823379e+02, 0.000000000000000e+00, 4.054299838621853e+05, 0.000000000000000e+00, 0.000000000000000e+00, 2.607463369818622e+01, 9.399744928937366e+04, 3.279360985353600e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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