# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/865a6d29-cbc7-440b-b363-cb20392fe513/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 Pb3(ClO)2 / Pnma (62) / materials id 510030](https://mdr.nims.go.jp/datasets/2f91b4c3-be1e-4c0c-b5a5-9f0e51f77a10) ## Fulltext elements: [Pb, O, Cl]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: [207.2, 16.0, 35.45]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: [3.183016481157404e+03, 1.567342330837682e-02, 2.242253265844012e+01, -2.895720937953208e+00, -1.638809423896348e+01, 1.216425641633283e+01, 0.000000000000000e+00, 6.655315480082481e+05, 0.000000000000000e+00, -5.458410997918788e+01, -9.045801184709013e+03, 5.240019634696689e+03, -1.133078613677692e+04, -2.148599524832838e+05, -1.599295663720978e+06, 0.000000000000000e+00, -1.310253042317346e+05, 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