# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9350ecd0-1688-4ac1-8784-93f5f56a3be8/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 ZrSiO4 / I4_1/amd (141) / materials id 4820](https://mdr.nims.go.jp/datasets/f37c7786-f13e-4057-bbeb-384f08712732) ## Fulltext elements: [O, Si, Zr]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, 28.09, 91.22]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: [1.117408811354047e+00, 4.819846250637849e-02, 1.787967372595808e-01, -5.256261577375557e+02, 1.325033954616062e+01, -1.613631428410172e+02, -7.715041339545535e+01, 1.768710837571536e+01, 4.004145712939380e+02, 1.392293273412530e+00, -1.493243719327175e+01, -2.070916187560694e+04, -1.069438082596230e+02, 3.281012313302858e+01, 6.179140138720994e+03, 4.155053312369867e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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