# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5a22bad6-8b7b-4658-8de6-73f7b64ef84d/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 Li2Te / Fm-3m (225) / materials id 2530](https://mdr.nims.go.jp/datasets/732dc6d0-f1ff-4763-82fe-b73be69e5d75) ## Fulltext elements: [Li, Te]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, 127.6]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: [6.063673522979047e+00, 1.858426664871887e+00, 0.000000000000000e+00, -1.192051061840560e+04, 7.994330342041294e+03, 7.823452821492416e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.972172088390977e+04, 7.222107974244769e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.694015838869116e+03, 0.000000000000000e+00, 0.000000000000000e+00, 5.975885575538417e+04, -6.318345007134028e+03, -6.450159376754106e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.776436662844251e+04, 1.080526467983436e+04, -1.927341863135631e+03, 0.000000000000000e+00, 0.000000000000000e+00, 7.593707116480506e+04, 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