# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9911c7a3-9cda-4d6a-a24e-4bee1f10c243/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 InBO3 / R-3c (167) / materials id 7027](https://mdr.nims.go.jp/datasets/87560953-f962-4aba-9668-32cfc3b872f7) ## Fulltext elements: [B, 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: [10.81, 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: 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: [-2.052383997303625e+03, -1.326865084331239e-03, -9.405064310245690e+00, 5.135573376072812e-01, 1.434244518971155e-01, -1.019694652733644e+03, 0.000000000000000e+00, -4.791946574229640e+03, 0.000000000000000e+00, 2.418699731762217e-01, 2.874874935980683e+02, 9.982621151885034e+00, -4.550907551435220e+01, -2.202232016093031e+04, 1.200623718179633e+03, 0.000000000000000e+00, 1.055801002847766e+02, 5.291264898369841e+01, 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