# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/de57bcbe-8219-4cd2-91af-a8de35c919f4/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 LiAsO3 / R-3 (148) / materials id 9657](https://mdr.nims.go.jp/datasets/343c1cbb-a169-401c-94e1-a49b8e7c6ce8) ## Fulltext elements: [Li, O, As]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, 16.0, 74.92]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: [1.063673296047266e+01, 6.781258468619308e-02, 3.193170933381666e+00, 1.041910149352019e+00, -9.317975570841544e-02, 6.303409034376933e+00, 3.965826951877946e+04, -6.932561137282945e+02, -2.449667215671679e+05, 3.014401844809237e+00, -5.792925550469135e+02, -6.224560539324888e+01, -2.518383891033694e+01, 1.803368605691814e+05, -1.041614466429378e+03, -1.184435051239721e+05, 1.538448287931212e+03, 4.435957395335328e+01, 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