# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3ecd4d56-e3e4-4f32-a7ff-36b4973c3ff6/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 Y2O3 / Ia-3 (206) / materials id 2652](https://mdr.nims.go.jp/datasets/dfd20ca7-be8d-44ce-9cf9-a6d8b3980a5f) ## Fulltext elements: [O, Y]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, 88.91]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: [3.642566955844845e+00, 1.190092793385761e+01, 1.505671990037726e+03, -1.322856346518384e+05, -3.261587141257685e+03, -9.176766740459882e+02, -1.409230687148827e+05, 0.000000000000000e+00, 4.320937492768372e+05, -2.463678906549786e+02, 3.959955419795347e+03, -5.122013061713603e+05, 0.000000000000000e+00, 1.146176515555380e+06, 8.471558971005098e+04, 6.720610300617572e+02, -3.928898819221477e+06, 0.000000000000000e+00, -5.398274102800246e+04, 5.531922454892930e+04, 4.597739005564272e+02, -6.248335795919738e+06, 0.000000000000000e+00, 4.641274134847084e+03, 5.128929542400376e+03, 1.685463879104346e+02, 3.921435743209177e+06, 0.000000000000000e+00, 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