# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/10ebef40-4be6-4f3d-80e5-0b2d2c4e18ef/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 InF3 / R-3c (167) / materials id 6949](https://mdr.nims.go.jp/datasets/faf788a3-e0d8-480a-9329-f3178018c8df) ## Fulltext elements: [F, In]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, 114.8]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: [6.392451552533048e+00, 5.046543956269755e-02, -9.530363119035084e+03, 8.103499285845341e+03, 6.678780152476338e+02, 9.174994500873222e+00, -4.248450115849983e+06, 0.000000000000000e+00, -9.153940204562806e+04, -9.691723637108702e+03, 1.055908558606881e+02, 0.000000000000000e+00, 0.000000000000000e+00, -3.382738492426591e+04, 1.909233490800127e+03, 1.119018922625209e+01, 0.000000000000000e+00, 0.000000000000000e+00, 4.635670454333381e+04, -3.182027873293134e+02, 4.783290880397988e+01, -4.866458190140348e+06, 0.000000000000000e+00, -2.726017127008600e+04, 3.595321730199464e+02, -6.589755326961721e+00, -3.183845313880843e+05, 0.000000000000000e+00, 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