# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4e626f43-8e16-45e8-aaf4-eb8be4bad2e8/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 HoBO3 / R-3c (167) / materials id 754409](https://mdr.nims.go.jp/datasets/b0d0bbe6-08ab-45e8-9f96-70a45b2270ed) ## Fulltext elements: [Ho, B, 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, 10.81, 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: [-1.251748872122915e+04, 5.460090425352204e+00, 1.542698697697235e-01, -7.132654573621197e+03, -1.284490433569252e-03, 4.979667327679945e-01, 0.000000000000000e+00, 0.000000000000000e+00, 6.931947892134173e+06, -1.388779474571026e+06, 1.885740193442861e+03, 0.000000000000000e+00, 3.579989657859546e+02, 3.116779602574712e+01, -5.924089997673311e+01, 1.717444544803986e+02, 0.000000000000000e+00, -8.882057379282307e+04, 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