# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/42331c45-cc97-4e32-8b26-cb0dc3ac5a74/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 PbF4 / I4/mmm (139) / materials id 341](https://mdr.nims.go.jp/datasets/7c9037c6-0692-447c-b0c3-653117221b63) ## Fulltext elements: [F, 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: [19.0, 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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-2.768443601785244e+00, 2.930671355680858e-01, 4.131364927882525e+04, 1.041395387375185e+04, 7.595633051395941e+02, 1.532995234880561e+01, 0.000000000000000e+00, 0.000000000000000e+00, -1.059857602005936e+05, 2.005922262033457e+03, 3.701781076153630e+01, 0.000000000000000e+00, 0.000000000000000e+00, 9.753117659173693e+04, -2.164616600259120e+03, 2.889241734840985e+01, 0.000000000000000e+00, 0.000000000000000e+00, -1.331436010870764e+05, 2.939264347963293e+03, 2.675666731605592e+01, 0.000000000000000e+00, 0.000000000000000e+00, -9.168378152173880e+04, 3.565507333812838e+02, -8.788603349176555e+00, 0.000000000000000e+00, 0.000000000000000e+00, 8.855562123063860e+04, 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