# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7cbcf450-4062-4510-b723-f51b23935f83/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 TbTaO4 / P2/c (13) / materials id 12932](https://mdr.nims.go.jp/datasets/094ce33e-edd6-44b5-a070-5c15608aa629) ## Fulltext elements: [O, Tb, Ta]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, 158.9, 180.9]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: [5.131858882087887e+00, -9.351931985363384e-03, 2.758504897216156e-01, 7.887023798869150e+02, 7.960162611580636e+02, 1.317295455270785e+02, 2.788254912093429e+02, 6.757056493398047e+03, 6.654198883850087e+02, 1.728902785050362e+02, 2.153563964324769e+02, 8.430797095782838e+05, -2.595736956236046e+04, 5.599354781519227e+01, 9.261800790403022e+04, 8.482114254500570e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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