# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/27bb7893-33ac-4ca0-b169-adeda7495bdc/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 HoBiO3 / R-3 (148) / materials id 754300](https://mdr.nims.go.jp/datasets/c01e920f-d251-4116-8c79-54d05ad32422) ## Fulltext elements: [Ho, Bi, 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: [164.9, 209.0, 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: [1.476125074689442e+02, 5.484779915122436e+01, -1.501962064027071e-01, 5.069230828948167e+02, -8.099398910853891e-01, 5.403895866409067e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.825902788632744e+04, 0.000000000000000e+00, 4.171686555649270e+03, 0.000000000000000e+00, 2.600939256301641e+03, 1.582500675573575e+02, -3.112928788135573e+02, 5.192064536056930e+03, 0.000000000000000e+00, 2.480554787454867e+05, 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