# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/df6daa4d-5017-44cc-8991-5a5fcc574122/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 DyPtF7 / P2_1/c (14) / materials id 17160](https://mdr.nims.go.jp/datasets/000bd46e-c2f3-40bb-bc3e-e349895b7ee3) ## Fulltext elements: [F, Dy, 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, 162.5, 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: [8.642994025805352e+00, 6.549066104315033e-01, 1.717785741568952e-01, -4.030837368820205e+04, -2.052074453756254e+04, 0.000000000000000e+00, -1.815176527953005e+03, 4.684921405433890e+03, 1.757732331869895e+03, 9.236226166568758e+01, -1.740363737053201e+03, 2.694970740781809e+07, -1.473733139071000e+07, 5.867692627706797e+00, -2.070546442589637e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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