# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/541f356f-e8c7-46f8-b2d6-6d2109123a35/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 BaH2 / Pnma (62) / materials id 23715](https://mdr.nims.go.jp/datasets/4995e2f4-5b9c-4033-b904-f2b09e4066d5) ## Fulltext elements: [H, Ba]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: [1.008, 137.3]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: [-6.598470821062683e+00, -2.389037541775875e+00, 1.967172070743613e+03, -1.591788794055030e+05, -8.921509893070168e+03, -3.542540583324728e+02, 0.000000000000000e+00, 0.000000000000000e+00, 2.597210858847098e+05, -5.795321948201620e+04, 8.451502109720003e+02, 0.000000000000000e+00, 0.000000000000000e+00, 6.847152905143006e+04, -7.867911855215697e+04, -3.725878002918226e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.427904913524021e+05, -1.911407089664393e+04, 3.871090093564647e+03, 0.000000000000000e+00, 0.000000000000000e+00, -3.256171317986925e+05, -1.491287326811487e+03, 8.145901140818542e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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