# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cd147e37-a94e-4743-82f2-16a2ff185056/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 In6TeO12 / R-3 (148) / materials id 22189](https://mdr.nims.go.jp/datasets/1b5fa452-28da-43ad-9cd7-3dc5f0c218d0) ## Fulltext elements: [O, In, 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: [16.0, 114.8, 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: [1.764352967288809e+00, 1.941989707759512e+00, 1.335360847023278e-01, 2.839134396408090e+02, 8.831224691211894e+00, 0.000000000000000e+00, -4.969605304491475e+03, 3.483090369310758e+03, -9.590866993050120e+00, 6.579818598986520e+01, -3.732049132262598e+02, 1.599152752810030e+04, -1.731054989939742e+05, 6.651228041711776e+00, -2.653986412880514e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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