# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f96091dd-fc70-46dd-b603-29173a7b0664/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 HoPtF7 / P2_1/c (14) / materials id 17651](https://mdr.nims.go.jp/datasets/da138810-af85-41dd-856e-8cd8197598d2) ## Fulltext elements: [F, Ho, 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, 164.9, 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: [3.279807117077508e+01, 1.668916607586685e+00, 4.221982623759766e-01, -5.364362341344043e+04, 2.089537720407587e+04, 0.000000000000000e+00, -1.734209602942650e+04, 2.968550082765988e+03, 3.082065947160269e+03, 2.470820251804406e+02, -1.550385404457309e+03, -3.682674393293925e+07, 1.186671529299962e+07, 1.208134339081830e+01, 4.830742782515102e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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