# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9b9532c9-a784-4e6c-b5f6-841ad01d2497/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 CaF2 / Fm-3m (225) / materials id 2741](https://mdr.nims.go.jp/datasets/ad7347dc-ca05-4db2-845f-9e7a85b469c5) ## Fulltext elements: [F, Ca]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: [19.0, 40.08]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: [2.442617922011909e+00, 4.233597965540631e-01, 8.570555381244859e+02, -8.919970024326267e+02, 1.290011434371260e+02, 4.749121501538593e+01, 4.478203525570252e+05, 0.000000000000000e+00, 2.248752357700978e+03, -9.860609629489504e+02, 1.065699473719598e+02, 0.000000000000000e+00, 0.000000000000000e+00, -7.056029869139142e+02, 1.889896146717679e+03, 6.332720020281400e+01, 0.000000000000000e+00, 0.000000000000000e+00, 7.550433591612020e+02, 6.633623707810466e+02, 7.124595848453605e+01, 0.000000000000000e+00, 0.000000000000000e+00, 4.531895211181623e+02, 2.362129337251730e+02, -8.150966963691869e+01, 0.000000000000000e+00, 0.000000000000000e+00, -1.402566270286811e+03, 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