# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8c8fd72c-a31d-4e61-a575-f2de59d7b57e/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 Pb(NO3)2 / Pa-3 (205) / materials id 20820](https://mdr.nims.go.jp/datasets/25b3f0dc-da6e-40a1-9c0a-6e34e9f6e32f) ## Fulltext elements: [N, 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: [14.01, 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: [6.290863902978685e+03, -1.041000122305091e-01, -7.318548660597241e+01, 2.671753108384920e-01, 5.365535109156990e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.962202886694184e+05, 0.000000000000000e+00, -4.091778303185163e-01, -3.035847340640974e+03, -4.414392383526740e-01, 2.215901501952477e+02, 0.000000000000000e+00, -4.127179675990665e+04, 0.000000000000000e+00, 3.929977124606056e+01, 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