# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/56e8ad98-a59e-44dd-9758-48f1de2f5086/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 LiSbO3 / Pnna (52) / materials id 4995](https://mdr.nims.go.jp/datasets/5929149b-2f5d-4bdf-ab20-a7ece92db250) ## Fulltext elements: [Li, O, Sb]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: [6.941, 16.0, 121.8]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: [-2.060089530650911e-01, 1.211269684216853e-01, 1.466903324501123e+01, 7.007219976196684e-01, 3.166975634168986e-02, 2.343843899129357e+01, 1.776426608437537e+03, -2.044805409424752e+02, -7.089380720204444e+04, 8.108108494891558e-01, 2.044359581353204e+04, 9.249170237029548e+02, -1.312405430010145e+02, -6.794708657811151e+05, -3.996828826133669e+03, -3.328113945350864e+06, 7.822034395605572e+03, 4.848708662990622e+02, 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