# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1eed0afe-26df-45f4-859b-ea31753fa239/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 Li8HfO6 / R-3 (148) / materials id 752922](https://mdr.nims.go.jp/datasets/41013004-a1a0-4299-be6b-de743b9790c4) ## Fulltext elements: [Li, Hf, 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, 178.5, 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: [1.573852854396065e-01, 6.086567042826908e-01, 3.118553816973535e-02, 0.000000000000000e+00, 2.712290716921919e-02, 1.924037715263211e+00, 1.107056678382320e+01, 9.907033817307254e+01, 4.758110747439100e-01, 7.154765482816952e+02, 1.615961241133150e+01, 0.000000000000000e+00, -1.399432856224773e+00, 9.143855740211775e-01, -4.838947803737858e+00, 4.994466008338986e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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