# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/974ebd7b-c5ae-453e-841c-039e667c44cb/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 Li2Se / Fm-3m (225) / materials id 2286](https://mdr.nims.go.jp/datasets/9f14159a-5c4d-424f-bf2f-40abe165d5cf) ## Fulltext elements: [Li, Se]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, 78.96]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: [3.006457520085403e+00, 5.159640305333498e-01, 3.609693093142610e+03, -4.401449958559343e+03, 6.935944197854330e+02, 7.903585046322441e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.458845734637113e+04, -2.707400870477404e+03, 4.709646760544584e+02, 0.000000000000000e+00, 0.000000000000000e+00, -1.473166056172430e+04, -3.313947023039019e+04, 9.088708722175686e+02, 0.000000000000000e+00, 0.000000000000000e+00, 2.907203353860014e+03, 1.836411802696941e+03, 6.159791038562440e+01, 0.000000000000000e+00, 0.000000000000000e+00, 2.313150434027684e+03, 5.622981819729400e+02, -2.432114312676417e+02, 0.000000000000000e+00, 0.000000000000000e+00, -1.014993122967019e+04, 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