# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/060cab09-fa9a-4120-aec7-78eabc63ff5c/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 Ba2SnO4 / I4/mmm (139) / materials id 3359](https://mdr.nims.go.jp/datasets/5aef9aae-8932-4e6a-8206-0dd667bea96e) ## Fulltext elements: [O, Sn, 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: [16.0, 118.7, 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: 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: [5.187650285853064e+00, 6.510246459401073e-02, 3.753627910173001e+00, 1.027143882591897e+04, 4.317988258929861e+01, 2.087832318103005e+03, -7.295412079761376e+03, 1.039076642714516e+02, 1.077013585727518e+04, 8.049509772076750e+00, 1.953329495128420e+03, 0.000000000000000e+00, 4.085079778554309e+03, -2.363740295096193e+03, 6.145328821509371e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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