# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/65aa4aaf-624d-4b92-a378-b8f658df121c/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 LuBO3 / R-3c (167) / materials id 7560](https://mdr.nims.go.jp/datasets/22d76d7d-de6f-40dc-aaea-113da5f0cc4c) ## Fulltext elements: [B, O, Lu]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, 175.0]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: [2.526694794770215e+03, 4.726514902542437e-04, 5.289309996943661e+00, 5.485285199181310e-01, 1.270968855454547e-01, 1.582684268855401e+03, 0.000000000000000e+00, -2.256374932493352e+04, 0.000000000000000e+00, 2.389449580277379e-01, 2.377265119387023e+02, 8.649135306394026e+00, -3.437971145126037e+01, 1.423457550776163e+05, 1.768820569132402e+03, 0.000000000000000e+00, 1.379964153906373e+02, 1.610097649769160e+02, 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