# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6c4600a1-5cfd-4270-bb06-21290d184734/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 / Pmma (51) / materials id 753748](https://mdr.nims.go.jp/datasets/9e6d2954-80c2-4825-9354-1a4a88deea60) ## 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: [8.206405388553683e-01, 3.291756459048775e-01, 7.561522487177195e-01, 7.082279547939629e+02, 6.700001448802917e-03, 3.137254194700019e+02, 9.124141336280219e+02, 1.472702985566440e+04, -1.864479039196845e+02, 3.072851267794932e+02, -3.006096089540636e+02, 0.000000000000000e+00, -9.806845361156446e+00, 9.000763579681640e+01, -1.512536190277561e+01, 3.838672833584616e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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