# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ae1308e4-8bfc-4b7f-973a-7fff599eadf7/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 In2TeO6 / P321 (150) / materials id 504908](https://mdr.nims.go.jp/datasets/077e2f85-2d68-4b29-ad3c-b37b40014b31) ## Fulltext elements: [In, 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: [114.8, 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: [9.195611202577123e+02, 3.601733977162472e+00, 4.427897378388439e-01, 0.000000000000000e+00, 5.715287787248482e-02, 9.635443982790133e-01, 0.000000000000000e+00, 0.000000000000000e+00, 3.318270543558539e+05, 3.547537843355692e+05, -5.434864597430526e+03, 0.000000000000000e+00, -1.670463660380610e+02, 5.248026807407078e+01, -1.221768335496242e+02, -2.821975919959692e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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