# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9ca5d2c8-9dbc-4358-aa30-b4920f5173d6/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 In2O3 / R-3c (167) / materials id 22323](https://mdr.nims.go.jp/datasets/d771746b-ea5d-4a2f-815b-c05cf80d1763) ## Fulltext elements: [O, In]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]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: [-4.205555793968613e+00, 2.933711034915040e+00, 3.406736420688496e+01, -2.372863657379216e+04, -1.280375310206473e+03, 7.255124897645723e+01, 5.422090963873472e+03, 8.779501768628239e+05, -4.648753665391775e+03, -7.352416477282012e+03, 8.758623077176844e+01, -1.455376352648537e+04, -1.015698852015279e+06, -3.928163906399160e+04, 6.764875384407169e+03, -1.504971418665616e+02, 6.808907397255322e+03, -4.685700727950913e+06, -3.994612063523361e+04, 3.195783132713605e+03, 4.393935236313285e+01, 1.774853773485899e+04, -1.173582415852517e+05, -7.198828065173727e+03, 1.387111850728949e+03, 1.684744891004845e+02, 7.895097173345708e+03, -5.983708203990577e+05, 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