# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c6758141-3eb1-4a51-ae9b-915a53b8e0d1/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 Mg2B2O5 / P2_1/c (14) / materials id 18256](https://mdr.nims.go.jp/datasets/1587aaa3-d39b-47a3-93b8-f63e6e1a083e) ## Fulltext elements: [B, O, Mg]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, 24.31]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: [1.486781172326278e+00, -6.053281407687572e-01, 9.180677937782161e+00, 3.058013106347372e+00, 1.270848022583082e+00, -1.229463532470609e+02, -4.018341096036493e+03, 6.268447027544279e+02, 6.793342520334956e+03, -2.700966209084789e-02, -4.400346451876202e+00, 1.318097473904777e+02, 9.890916586295396e+01, 2.229889488724896e+03, -8.037950006212262e+02, 2.753595212242636e+05, -1.060176149783652e+02, 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