# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3c1a13cc-1e99-4a77-999f-be95efad272d/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 Ca2PbO4 / Pbam (55) / materials id 21137](https://mdr.nims.go.jp/datasets/c760e3c4-28cd-426a-b26e-10e5ba1b54aa) ## Fulltext elements: [O, Ca, 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, 40.08, 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: [1.515115592421724e+00, 2.851631069371663e-01, 1.785146935161413e-01, 2.329448283199281e+01, 1.653938149083688e+02, -2.581129564966585e+02, -1.967814521415471e+05, 5.836673112621729e+04, 7.110287656768588e+03, 1.465070149836644e+02, -6.149254677146518e+00, 2.776075481304278e+04, 9.541822441025011e+03, 2.462255814035420e+01, 1.236113087246906e+04, 3.837534824887063e+03, -1.381423235020283e+06, 0.000000000000000e+00, 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