# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/93a2b82a-2f64-419d-b9fb-a6a7685ec751/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 Al2Si2O7 / C2/c (15) / materials id 755043](https://mdr.nims.go.jp/datasets/11609691-4ce1-4011-babb-a3976f7cf201) ## Fulltext elements: [Al, Si, 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: [26.98, 28.09, 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: [4.614099179363982e+00, 1.055810735786312e+02, -6.605845573078084e-02, 1.161415689681055e+01, -1.041427226549380e-01, 9.749011218160582e+00, 7.709049890066738e+03, -7.968542481500079e+05, 4.037627673716873e+02, 1.307551072374026e+06, 9.232266892741025e+03, 4.317669537813966e+05, 7.629063672959044e+03, 6.449861214864406e+00, -1.618249715276180e+01, 1.884723222831212e+02, -4.216692971751416e+05, -1.065638245451436e+02, 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