# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8095982b-98e4-45e6-bd7d-aee25e0dc101/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 Li8ZrO6 / R-3 (148) / materials id 755225](https://mdr.nims.go.jp/datasets/3002aa1c-9505-47f4-bae8-831ff20e0977) ## Fulltext elements: [Li, Zr, O]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: [6.941, 91.22, 16.0]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: [1.378076377717455e-01, 6.861783800964720e-01, 2.985980308657664e-02, 0.000000000000000e+00, 2.318815680592869e-02, 2.252302345542598e+00, 8.650818720980602e+00, 1.481044634935049e+02, 8.826400426996626e-01, 4.611173741842461e+02, 1.197876545335116e+01, 0.000000000000000e+00, 2.732582677427132e+00, 8.622838500031728e-01, -5.565770158793589e+00, -5.222446551105966e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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