# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/77734afa-8d91-4666-83fe-f699f70a92b6/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 Li6TeO6 / R-3 (148) / materials id 7941](https://mdr.nims.go.jp/datasets/0b52a5dc-e31b-4824-ac6d-35a883a22373) ## Fulltext elements: [Li, O, 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, 16.0, 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: 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: [1.481191116679556e+00, 4.291742595491543e-02, 2.371732108201974e+00, 2.052420684853091e+00, 4.036831694149873e-02, 0.000000000000000e+00, -1.225794902393800e+02, 4.845459046019288e+01, 8.839542548310948e+02, 2.063725862475696e+00, -2.885482969160109e+02, 3.644235742193477e+01, -1.873450007180728e+01, -1.116943308585377e+04, 4.863384876980143e+01, 0.000000000000000e+00, 5.353048005272552e+03, 1.991208564015610e+02, 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