# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/11a7414f-ae5b-4ae3-8a80-7e7c7ecad291/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 ThSiO4 / I4_1/amd (141) / materials id 5836](https://mdr.nims.go.jp/datasets/1aaee2aa-6fe6-4689-ae85-da6e7009df28) ## Fulltext elements: [O, Si, Th]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, 232.0]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: [9.967122343777601e-01, 2.763062884508384e-02, 3.030539464535787e-01, -2.986673512669493e+03, 8.083386108208074e+00, 1.297329744260593e+03, 3.293826037104859e+02, 2.757698796851021e+01, 6.534635012771413e+02, 8.201522869456109e-01, 1.562870359993671e+02, -1.460105940911995e+04, -2.549425431121884e+02, 1.668553514385126e+02, 2.370225025513141e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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