# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/71bcdb19-e285-4a35-aee1-05e14a5523d1/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 Lu2S3 / R-3c (167) / materials id 2826](https://mdr.nims.go.jp/datasets/1db036d1-d755-42c0-9e03-37d24ee48ef6) ## Fulltext elements: [S, Lu]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: [32.07, 175.0]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: 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: [-4.314201346570678e+01, 9.264099815289322e+00, 1.971071614964271e+02, 0.000000000000000e+00, 5.043938283190762e+05, -8.327494916357333e+03, -1.169459236151767e+06, 0.000000000000000e+00, 0.000000000000000e+00, 2.589044766527527e+06, 5.419064766254144e+04, -6.470102737529201e+06, 0.000000000000000e+00, 0.000000000000000e+00, -4.096888788462848e+05, -1.467079676770864e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.318758013574321e+04, 9.364236820776850e+02, 4.391599364781925e+06, 0.000000000000000e+00, 0.000000000000000e+00, 9.070451391959537e+05, -1.752378837951209e+03, -2.036972202291330e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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