# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9b159776-2a1d-49d0-92e0-c85ce551e466/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 CaPtF6 / R-3 (148) / materials id 8255](https://mdr.nims.go.jp/datasets/88101f5a-d605-4c84-9e18-fa64853adde8) ## Fulltext elements: [F, Ca, Pt]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, 195.1]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: [1.440076311250824e+00, 1.313102744831127e-01, 1.328020771877614e-01, 0.000000000000000e+00, -7.019084848665044e+02, 0.000000000000000e+00, 5.268651289475812e+02, 3.130583128618109e+03, 1.956592385380294e+02, 4.751202948674395e+01, -1.956253184224160e+01, 0.000000000000000e+00, 5.288219272896301e+06, 5.399420782562022e+00, -5.029186291666827e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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