# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/637966c2-5083-4ffa-9054-1e3a69f984ef/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 Li3AlH6 / R-3 (148) / materials id 31096](https://mdr.nims.go.jp/datasets/39776247-ea28-412c-a3c2-aa011a08f31e) ## Fulltext elements: [H, Li, Al]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: [1.008, 6.941, 26.98]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: [7.097438988519914e-02, 1.700848275257515e-02, 8.223681751364448e-03, 9.769094732029208e-01, 4.373345742055200e-01, 0.000000000000000e+00, 1.228987531047703e+01, -6.496970423777098e+00, 9.010155861250265e-01, 4.173021826544604e-01, -1.670055816367048e+00, -4.565511523081751e+01, -2.248734378658371e+01, 1.714569776064601e-01, -4.772961133162930e+00, 0.000000000000000e+00, 2.073966535062957e+03, -4.153101749772840e+02, 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