# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6c2b41d8-a64a-4b26-8dae-a505ccad6e51/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 Mg3(AsO4)2 / P2_1/c (14) / materials id 756919](https://mdr.nims.go.jp/datasets/6fcee81f-bf4e-4c53-9260-918a3ebd0b0e) ## Fulltext elements: [Mg, As, 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: [24.31, 74.92, 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: [-2.338011749439969e+01, 4.742072029983608e+00, 4.977802905006377e-01, -5.761212666503423e+06, -2.527790697966207e-01, 2.897313938713304e+00, -2.477921948886098e+04, 3.413958721890455e+06, 2.826913005770874e+03, -4.412720490535361e+04, 3.861689787609710e+03, 0.000000000000000e+00, -2.679908274838222e+02, 2.014320988030540e+01, -1.202502282587025e+02, 3.643618932078097e+03, 0.000000000000000e+00, 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