# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8d2b185c-85a8-4d66-abd7-fd1f7d59abd3/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 BaSe2 / C2/c (15) / materials id 7547](https://mdr.nims.go.jp/datasets/22f05eaf-cbfb-43ab-b73d-09546f9ffaf3) ## Fulltext elements: [Se, Ba]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: [78.96, 137.3]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-4.766746167881426e+00, -5.062200883005837e+02, 0.000000000000000e+00, 2.599569636772802e+04, 1.159655006173782e+06, -2.041436400428661e+07, 0.000000000000000e+00, 0.000000000000000e+00, -1.604705748011221e+04, -2.769180756288117e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.290306309239317e+04, -1.681482548259691e+06, 2.384800224140877e+07, 0.000000000000000e+00, 0.000000000000000e+00, -1.185520491186445e+04, 6.840975937186776e+05, 1.451389752665273e+07, 0.000000000000000e+00, 0.000000000000000e+00, -1.035608011255535e+04, -5.792731246756016e+06, 7.893004950348592e+07, 0.000000000000000e+00, 0.000000000000000e+00, 9.450060595850147e+03, 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