# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5ffaf3e0-9c5f-467b-a8ec-48982ca38354/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 SiBi2O5 / Cmc2_1 (36) / materials id 28144](https://mdr.nims.go.jp/datasets/2c13a1fc-aaab-4b55-9d82-c51d121258e0) ## Fulltext elements: [O, Si, Bi]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: [16.0, 28.09, 209.0]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: [1.042684445388478e+01, -4.885619845545212e-01, 1.415062023429798e+00, 6.586585188783329e+01, 6.205579642277443e+01, 7.610131613749930e+03, 9.795719505941868e+03, 1.003869769426105e+03, 1.069319975491216e+04, 6.842747548200436e+00, -1.602295858211783e+02, 1.333461473372364e+04, 1.086491907344525e+05, -5.262633349898750e+02, -1.196405578327537e+06, 2.039229076904123e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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