# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c84f2ae9-4f78-472b-92a7-2d9c549e7614/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 PF5 / P6_3/mmc (194) / materials id 8511](https://mdr.nims.go.jp/datasets/38195f11-b818-4209-9dc1-e66cada251cf) ## Fulltext elements: [F, P]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, 30.97]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: [5.784827615808887e-01, -4.063162431721892e-02, 0.000000000000000e+00, 9.252167313337132e+01, 1.869621448320010e+01, 1.423023572189736e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.625574674308191e+01, 1.440351149459229e+01, 2.493232852518064e+01, 0.000000000000000e+00, 0.000000000000000e+00, 4.203177299906672e+01, 2.211577799847655e+01, 1.605711497492169e+01, 0.000000000000000e+00, 0.000000000000000e+00, 4.128773992249084e+01, -2.966676205128408e+00, 3.115444406483463e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.503362760964483e+01, 1.168854689720600e+00, -1.737192129089484e+00, 0.000000000000000e+00, 0.000000000000000e+00, -3.270023972645263e+01, 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