# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c343e61d-be90-4c0c-b2d3-a603450305f2/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 PbCO3 / Pnma (62) / materials id 19893](https://mdr.nims.go.jp/datasets/c71293cb-fa13-46fe-9bbe-a83cc72d5b8d) ## Fulltext elements: [C, O, 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: [12.01, 16.0, 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: [1.231890947714130e+01, -4.836075834054204e-02, 1.363025890880058e+01, 3.885853419120764e-01, 1.284264061770739e-01, 1.171982077935360e+04, -6.376366666753737e+05, -2.406996716619528e+02, 1.983377884585928e+05, -1.618586633481546e-02, 3.203457415156724e+02, 3.547917603148688e+00, 2.343574673143855e+01, 1.039962445915580e+05, 3.925474135726506e+03, 0.000000000000000e+00, 4.191185177826435e+01, -2.791122291225915e+02, 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