# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5ea5f1d5-9a81-419a-b774-0d7ff16c3ad8/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 LaTmO3 / Pnma (62) / materials id 13374](https://mdr.nims.go.jp/datasets/13a7e666-08d4-40c2-bf29-0d91354d269c) ## Fulltext elements: [O, La, Tm]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, 138.9, 168.9]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: [2.677194253907137e+01, 5.609960462182271e-01, 6.653485411620166e-02, 5.923971793930962e+03, 1.125608378279567e+02, 6.027530646424060e+04, -1.626227217169422e+05, 4.566834409243653e+04, 1.152326288703440e+04, 8.223557948318134e+01, -3.336726171896609e+02, 0.000000000000000e+00, 4.136782644762030e+05, 2.142434342832214e+01, 4.374609521897950e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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