# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/39d4c134-557a-470e-9779-e022fcf0760f/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 Sr2PbO4 / Pbam (55) / materials id 20944](https://mdr.nims.go.jp/datasets/009d7452-5471-41c8-9da1-0d6037f86af1) ## Fulltext elements: [O, Sr, 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, 87.62, 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: [1.823176860072592e+00, 9.195710895522488e-01, 2.421452486644199e-01, 1.588392180196611e+02, 1.620374954343183e+02, -1.776348070054966e+02, -1.080182133569799e+05, 1.348333419367925e+04, -1.488474338525693e+02, 5.234491345886752e+02, -1.751308227896805e+02, 9.792823361701281e+04, 3.323526730107161e+05, 4.035956703774098e+01, -2.090760794381109e+04, -9.575914206872309e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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