# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e832538d-d9bb-45b5-9fad-71371de18544/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 LiAl5O8 / P4_332 (212) / materials id 530399](https://mdr.nims.go.jp/datasets/c5833714-dcfd-4b0e-8dab-e1bd3f506a4b) ## Fulltext elements: [Al, Li, 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, 6.941, 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: [5.111974789651991e+00, 5.042595163903250e-01, 1.063266483120772e-01, 0.000000000000000e+00, 1.360293249408506e-02, 1.142695769177382e+00, 5.104176120195803e+03, -3.842666527320231e+04, -4.065496656998997e+01, 8.224404866117712e+02, -3.231791390659139e+01, 0.000000000000000e+00, 5.088437820577870e+01, 6.537861317128717e+00, -5.041732171097849e+00, -3.613027693258047e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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