# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1379a04d-d78d-4e23-8b99-3ca3c6de93b4/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 Lu6TeO12 / R-3 (148) / materials id 755804](https://mdr.nims.go.jp/datasets/7a642562-0cae-46bc-afda-d134cdfd689b) ## Fulltext elements: [Lu, Te, O]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: [175.0, 127.6, 16.0]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: 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: [5.673041775454714e+02, -6.684461016180006e+01, 3.276196872581743e+00, 0.000000000000000e+00, 1.537294566671638e-01, 6.067934594757320e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.879138325858309e+04, 0.000000000000000e+00, -4.190385116844251e+05, 0.000000000000000e+00, -1.227292679090429e+05, 1.082254492597084e+02, -8.534135206778461e+02, 3.787672728982054e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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