# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/db185727-f05d-41a0-aeb2-9985a19dffb9/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 Al5BO9 / Cmc2_1 (36) / materials id 3281](https://mdr.nims.go.jp/datasets/a1464159-fb0d-4ab8-8ffb-69df75ce3d41) ## Fulltext elements: [B, O, Al]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, 26.98]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: [-7.767969233024058e+04, -2.669571319909599e-01, -1.431233692940854e+01, 5.636336699173039e+00, -2.967666848366418e+00, 6.164759877771997e+01, 0.000000000000000e+00, -1.344047558306697e+06, 0.000000000000000e+00, 1.552484026651328e+00, 9.859522119835591e+02, 1.067007063685110e+02, -1.726613163333168e+01, -1.834521600768518e+04, 1.327076772245553e+04, 7.796487067437191e+04, 3.324054967078331e+02, 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