# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c8cb7990-3ad8-4bb3-b445-3d147511a761/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 Cs2PbO3 / Cmc2_1 (36) / materials id 21521](https://mdr.nims.go.jp/datasets/18f71a37-067d-4582-a80a-19e3cf7aebf8) ## Fulltext elements: [O, Cs, 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: [16.0, 132.9, 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: [2.897294522504214e+00, 1.574016058612799e+00, 2.369878879057510e-01, 3.820515170253237e+02, 5.790505990919494e+02, 1.528382403501806e+01, 8.592293104379227e+03, 7.831389848653608e+04, -3.238621744049415e+02, 2.014451139449338e+04, -2.248406305101794e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.564524439026175e+01, -8.595421538815550e+04, 1.657667089875451e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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