# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/af2bed38-a2e5-4ed3-b20b-46a0ad182eb7/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 Al5HO8 / P6_3mc (186) / materials id 626161](https://mdr.nims.go.jp/datasets/b3a79a48-1ca2-4841-a0c6-5ce1b6e205fa) ## Fulltext elements: [Al, H, 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: [26.98, 1.008, 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: [3.704453274115949e+01, 3.416335577213213e-01, 1.629033092223222e-02, 3.094031764880260e+06, -5.605316755902785e-01, 6.229428265822708e-01, 8.463266670762868e+04, 1.873165604790087e+04, -8.883223861135139e+01, 5.307599331137376e+03, 1.367286021436372e+01, 0.000000000000000e+00, 1.659919116459829e+01, 3.202073507240822e+00, -9.567915713493090e+00, 3.012632405814110e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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