# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7eed384e-24f7-4bea-8cc3-3fbd5afeb190/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 TbAlO3 / Pnma (62) / materials id 4434](https://mdr.nims.go.jp/datasets/aa1b1026-505c-4129-80e6-706f7ff8a1bb) ## Fulltext elements: [O, Al, Tb]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, 26.98, 158.9]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: [3.298744320476193e+00, -3.972904496500901e-02, 3.029249698673255e-01, -2.903859492110138e+02, 5.328226853364987e+00, 6.519347647777393e+01, 7.719490531991522e+02, 7.179468367346090e+01, 3.184779442823757e+03, 2.005756765532680e+00, 2.703201770562584e+01, 7.556168019311421e+04, -5.180229733717908e+01, 9.566611084062852e+01, 2.633250243271099e+03, -4.701739944216625e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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