# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7b4606ab-8c6d-4bba-9489-2b64958c867b/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 CdPtF6 / R-3 (148) / materials id 5858](https://mdr.nims.go.jp/datasets/58d5032f-0004-46c4-8344-37eb184610aa) ## Fulltext elements: [F, Cd, 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, 112.4, 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: [2.253675552162980e+00, 1.553515330229847e-01, 1.491137451019479e-01, 0.000000000000000e+00, -4.387198204822182e+03, 0.000000000000000e+00, 2.437942567104692e+03, -1.156044259965757e+03, 3.683096810805205e+02, 5.166556673353652e+01, 1.391912857192676e+01, 0.000000000000000e+00, 1.356207252719415e+05, 6.049496198687387e+00, -6.742883553066649e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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