# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/aa13c592-2464-440c-872b-dcf70fd1bf48/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 SiP2O7 / P2_1/c (14) / materials id 18157](https://mdr.nims.go.jp/datasets/76f5ebfc-7f56-4062-88e7-91b7db231dad) ## Fulltext elements: [O, Si, P]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, 28.09, 30.97]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: [3.930393800353454e+00, -2.828353440749205e-02, -4.174700355326950e-02, 0.000000000000000e+00, -2.522676884275642e+01, -4.341975637653150e+00, 7.835662843924916e+02, -8.551125807292847e+01, -8.560608302603052e+01, 1.651706327625314e+00, -2.622900959006809e+00, 0.000000000000000e+00, 1.044066145925289e+02, 1.811418156056540e+00, 1.315144081444895e+03, -1.358935807510819e+02, 0.000000000000000e+00, 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