# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ac3232d0-383c-4d32-96fd-8ece05f79205/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 HfF4 / C2/c (15) / materials id 31033](https://mdr.nims.go.jp/datasets/2a4a7ab4-64a1-4a98-a15c-b008e079ad75) ## Fulltext elements: [F, Hf]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, 178.5]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: [2.702717724239950e+01, -9.814909378469849e+00, -7.659880510286829e+05, -3.738538188424959e+03, 4.246570582463393e+03, 3.087858998605561e+02, -1.248285529608032e+08, 0.000000000000000e+00, -1.761394981057418e+03, 2.175641033144916e+03, 1.997525597385073e+03, 0.000000000000000e+00, 0.000000000000000e+00, -1.815228858798199e+03, -3.183161693283947e+03, -2.029598897814062e+02, 0.000000000000000e+00, 0.000000000000000e+00, -1.102319622495998e+03, -6.931938571315752e+03, -3.306861516327172e+02, 0.000000000000000e+00, 0.000000000000000e+00, 2.205956600624391e+03, -4.153402541834140e+03, -3.450016810606879e+02, 8.953769984726194e+07, 0.000000000000000e+00, 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