# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/96211dbe-3915-4bab-8938-b311fbe1d8d6/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 Al2Pb3F12 / P2_1/c (14) / materials id 14941](https://mdr.nims.go.jp/datasets/6711554b-7e49-491a-8258-95a1f3c1c8be) ## Fulltext elements: [F, Al, Pb]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: [19.0, 26.98, 207.2]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: [7.225224793172808e+00, -7.878115142499666e-01, -2.756953278180087e+00, -7.695536868363196e+02, -6.529974583639475e+02, -3.653820394870692e+03, 1.490853131536240e+03, 3.297753951751724e+02, 1.180780487852512e+03, 1.354761975443126e+01, -2.078685693366644e+03, 6.828260346544747e+03, 3.537579474675641e+05, 2.698097483933045e+02, -1.100201176597275e+06, -4.074090833994290e+06, 0.000000000000000e+00, 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