# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4ffd2d33-1a23-4c3a-ae9a-925f35548068/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 Bi2OF4 / C2/c (15) / materials id 753309](https://mdr.nims.go.jp/datasets/c7e5542e-8ecb-455b-b3a9-3d851f4ba5b5) ## Fulltext elements: [Bi, O, F]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: [209.0, 16.0, 19.0]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: [2.217793026844014e+03, -9.909604157516858e-01, 3.832797253048313e+00, -6.544699235498197e+00, 5.683226841820967e-01, 3.256326163921564e+00, 0.000000000000000e+00, -1.266861309781194e+05, -3.393062459353985e+05, 4.604797620196506e+01, -1.188618550757134e+03, 7.811229211882848e+03, 4.100652088441298e+03, -8.796238793886131e+02, 1.311951924999944e+04, 7.977846932854231e+02, 7.853977644667188e+05, 1.908052036620718e+04, 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