# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bf412eba-3bfb-4d6c-b5df-aedb1ae25392/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 Li3CuS2 / P4_2/nmc (137) / materials id 753737](https://mdr.nims.go.jp/datasets/87e1acbd-27a0-4655-9055-3b31496d9b18) ## Fulltext elements: [Li, Cu, S]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: [6.941, 63.55, 32.07]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: [1.924774099124182e+00, 6.917142737583261e-01, 1.044397110361927e+00, -1.298539256642956e+02, 1.268012039780076e-02, 1.433455227065099e+03, 4.693074697976112e+03, -1.385880386131449e+03, -1.875076876957172e+02, -8.378912665103506e+02, -7.635129899439505e+01, 0.000000000000000e+00, 1.087430914435820e+02, 9.697359419667613e+01, -2.211505727781574e+01, -2.950556306842028e+05, 0.000000000000000e+00, 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